| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 84 | Confident | 93.5 | Very high | 113 Ų | 113 | 57 Ų | 57 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | 0 | 148.9 | 0 | -175.5 | 179.1 | -75.4 | 0 | 0 | 107.7 | Y16 C17 V142 | M1-Y16 CarbonylContact O-C 3.52Å; M1-Y16 WeakPolarHBondContact O-CA 3.35Å; M1-C17 HydrophobicContact CB-CB 4.35Å; M1-C17 PolarHBondContact O-N 3.43Å; M1-V142 HydrophobicContact SD-CB 4.04Å; M1-V142 HydrophobicContact SD-CG1 4.41Å | |||
| 2 | Q | 90.7 | Very high | 93.6 | Very high | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.6 | 173.6 | -63.7 | -172.1 | 1.5 | 0 | 0 | 110.3 | E143 | Q2-E143 HydrophobicContact CB-CB 4.33Å; Q2-E143 HydrophobicContact CB-CG 4.48Å; Q2-E143 WeakPolarHBondContact O-CB 3.17Å; Q2-E143 PolarHBondContact O-N 3.13Å; Q2-E143 VanDerWaalsContact O-N 3.09Å |
| 3 | A | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | G15 C17 L118 I140 I141 V142 | A3-G15 PolarHBondContact N-O 2.96Å; A3-G15 PolarHBondContact O-N 3.43Å; A3-G15 VanDerWaalsContact O-O 3.13Å; A3-C17 HydrophobicContact CB-CB 3.85Å; A3-L118 HydrophobicContact CB-CD1 3.76Å; A3-I140 HydrophobicContact CB-CG2 4.22Å; A3-I141 CarbonylContact C-O 3.57Å; A3-I141 VanDerWaalsContact CA-O 3.31Å; A3-I141 WeakPolarHBondContact CA-O 3.49Å; A3-V142 HydrophobicContact CB-CG1 4.36Å |
| 4 | S | 96.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.8 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | F13 I140 I141 | S4-F13 CarbonylContact C-O 3.59Å; S4-F13 VanDerWaalsContact CA-O 3.27Å; S4-F13 WeakPolarHBondContact CA-O 3.49Å; S4-I140 CarbonylContact O-C 3.57Å; S4-I140 WeakPolarHBondContact O-CA 3.49Å; S4-I141 PolarHBondContact N-O 2.68Å; S4-I141 PolarHBondContact O-N 2.9Å |
| 5 | L | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115.3 | 170.1 | 173.2 | 68.2 | 0 | 0 | 0 | 108.4 | L7 V12 F13 L28 L50 I87 L118 L126 K139 I140 | L5-L7 HydrophobicContact CD1-CD2 4.12Å; L5-L7 HydrophobicContact CD2-CD2 4.16Å; L5-L7 HydrophobicContact CG-CD2 3.84Å; L5-V12 CarbonylContact O-C 3.45Å; L5-V12 VanDerWaalsContact O-CA 3.3Å; L5-V12 WeakPolarHBondContact O-CA 3.34Å; L5-F13 HydrophobicContact CB-CB 4.27Å; L5-F13 HydrophobicContact CD2-CB 4.44Å; L5-F13 HydrophobicContact CD2-CD2 4.37Å; L5-F13 PolarHBondContact N-O 2.69Å; L5-F13 PolarHBondContact O-N 2.65Å; L5-L28 HydrophobicContact CD1-CD1 4.22Å; L5-L28 HydrophobicContact CD1-CD2 4.38Å; L5-L28 HydrophobicContact CD2-CD2 4.08Å; L5-L50 HydrophobicContact CD1-CD1 4.45Å; L5-I87 HydrophobicContact CD1-CD1 4.07Å; L5-I87 HydrophobicContact CD2-CD1 3.89Å; L5-L118 HydrophobicContact CB-CD2 3.61Å; L5-L126 HydrophobicContact CD2-CD1 4.39Å; L5-L126 HydrophobicContact CD2-CD2 3.8Å; L5-K139 CarbonylContact C-O 3.45Å; L5-K139 WeakPolarHBondContact CA-O 3.42Å; L5-I140 HydrophobicContact CD1-CG1 3.94Å |
| 6 | Y | 96.5 | Very high | 93.5 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.3 | 172.8 | -62.7 | -100 | 0 | 0 | 0 | 108.8 | V12 G138 K139 I141 P147 | Y6-V12 HydrophobicContact CD1-CB 4.5Å; Y6-V12 HydrophobicContact CD1-CG1 4.2Å; Y6-V12 HydrophobicContact CD1-CG2 3.52Å; Y6-V12 HydrophobicContact CE1-CG1 4.05Å; Y6-V12 HydrophobicContact CE1-CG2 3.77Å; Y6-V12 HydrophobicContact CG-CG2 4.35Å; Y6-G138 CarbonylContact O-C 3.51Å; Y6-G138 WeakPolarHBondContact O-CA 3.4Å; Y6-K139 HydrophobicContact CD2-CG 4.43Å; Y6-K139 HydrophobicContact CG-CG 4.47Å; Y6-K139 PolarHBondContact N-O 3.48Å; Y6-K139 PolarHBondContact O-N 3.47Å; Y6-I141 HydrophobicContact CD2-CB 4.2Å; Y6-I141 HydrophobicContact CD2-CG1 3.67Å; Y6-I141 HydrophobicContact CE2-CB 3.87Å; Y6-I141 HydrophobicContact CE2-CG1 3.76Å; Y6-P147 HydrophobicContact CE1-CG 4.49Å; Y6-P147 HydrophobicContact CE2-CB 4.19Å; Y6-P147 HydrophobicContact CE2-CG 4.01Å |
| 7 | L | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 154 | 175.1 | -56 | -167.9 | 0 | 0 | 0 | 110.5 | L5 D9 G10 H11 F13 L28 L126 L129 M136 F152 | L5-L7 HydrophobicContact CD1-CD2 4.12Å; L5-L7 HydrophobicContact CD2-CD2 4.16Å; L5-L7 HydrophobicContact CG-CD2 3.84Å; L7-D9 VanDerWaalsContact CB-OD1 3.26Å; L7-D9 WeakPolarHBondContact CB-OD1 3.19Å; L7-D9 PolarHBondContact O-N 3.45Å; L7-G10 PolarHBondContact O-N 3.26Å; L7-H11 HydrophobicContact CB-CB 4.32Å; L7-H11 HydrophobicContact CD1-CB 4.09Å; L7-H11 HydrophobicContact CG-CB 4.33Å; L7-H11 PolarHBondContact N-O 3.05Å; L7-F13 HydrophobicContact CD1-CD2 4.39Å; L7-F13 HydrophobicContact CD1-CE2 3.78Å; L7-F13 HydrophobicContact CG-CE2 4.34Å; L7-L28 HydrophobicContact CD2-CD1 3.79Å; L7-L28 HydrophobicContact CD2-CD2 3.45Å; L7-L28 VanDerWaalsContact CD2-CD2 3.45Å; L7-L28 HydrophobicContact CD2-CG 4.26Å; L7-L126 HydrophobicContact CD1-CD1 3.84Å; L7-L129 HydrophobicContact CD1-CD2 3.4Å; L7-L129 VanDerWaalsContact CD1-CD2 3.4Å; L7-M136 HydrophobicContact CB-SD 3.9Å; L7-M136 HydrophobicContact CD1-SD 4.15Å; L7-F152 VanDerWaalsContact C-CZ 3.5Å; L7-F152 WeakPolarHBondContact O-CZ 3.38Å |
| 8 | E | 93 | Very high | 93.3 | Very high | 117 Ų | 117 | 59.1 Ų | 59.1 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.6 | -179.6 | -176.7 | 171 | -158.1 | 0 | 0 | 113.1 | G10 S137 F152 | E8-G10 PolarHBondContact O-N 3.25Å; E8-S137 WeakPolarHBondContact CB-O 3.43Å; E8-S137 PolarHBondContact N-O 3.11Å; E8-S137 PolarHBondContact OE2-N 3.19Å; E8-F152 HydrophobicContact CB-CD1 4.21Å; E8-F152 HydrophobicContact CB-CE1 4.31Å; E8-F152 HydrophobicContact CB-CG 4.33Å; E8-F152 HydrophobicContact CG-CG 4.48Å |
| 9 | D | 92.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.3 | 176.5 | 72.8 | -5.3 | 0 | 0 | 0 | 114.3 | L7 H11 M136 | L7-D9 VanDerWaalsContact CB-OD1 3.26Å; L7-D9 WeakPolarHBondContact CB-OD1 3.19Å; L7-D9 PolarHBondContact O-N 3.45Å; D9-H11 WeakPolarHBondContact OD1-CB 3.48Å; D9-H11 IonicContact OD1-CG 3.82Å; D9-H11 PolarHBondContact OD1-N 3.42Å; D9-H11 IonicContact OD1-ND1 3.81Å; D9-H11 PolarHBondContact OD1-ND1 3.27Å; D9-H11 VanDerWaalsContact OD1-ND1 3.11Å; D9-H11 IonicContact OD2-CE1 3.82Å; D9-H11 PolarHBondContact OD2-CE1 3.39Å; D9-H11 IonicContact OD2-CG 3.89Å; D9-H11 IonicContact OD2-ND1 2.69Å; D9-H11 PolarHBondContact OD2-ND1 3.23Å; D9-M136 HydrophobicContact CB-SD 4.27Å |
| 10 | G | 92.1 | Very high | 93 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 98.3 | -4.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L7 E8 | L7-G10 PolarHBondContact O-N 3.26Å; E8-G10 PolarHBondContact O-N 3.25Å |
| 11 | H | 94.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 54 Ų | 54 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | trans | -66.3 | 146.6 | 173.4 | -73.2 | 98 | 0 | 0 | 0 | 111.9 | L7 D9 F13 L129 | L7-H11 HydrophobicContact CB-CB 4.32Å; L7-H11 HydrophobicContact CD1-CB 4.09Å; L7-H11 HydrophobicContact CG-CB 4.33Å; L7-H11 PolarHBondContact N-O 3.05Å; D9-H11 WeakPolarHBondContact OD1-CB 3.48Å; D9-H11 IonicContact OD1-CG 3.82Å; D9-H11 PolarHBondContact OD1-N 3.42Å; D9-H11 IonicContact OD1-ND1 3.81Å; D9-H11 PolarHBondContact OD1-ND1 3.27Å; D9-H11 VanDerWaalsContact OD1-ND1 3.11Å; D9-H11 IonicContact OD2-CE1 3.82Å; D9-H11 PolarHBondContact OD2-CE1 3.39Å; D9-H11 IonicContact OD2-CG 3.89Å; D9-H11 IonicContact OD2-ND1 2.69Å; D9-H11 PolarHBondContact OD2-ND1 3.23Å; H11-F13 HydrophobicContact CB-CE2 4.01Å; H11-L129 HydrophobicContact CB-CD2 4.09Å | ||
| 12 | V | 94.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 128.2 | 178.1 | -173 | 0 | 0 | 0 | 0 | 110.4 | L5 Y6 | L5-V12 CarbonylContact O-C 3.45Å; L5-V12 VanDerWaalsContact O-CA 3.3Å; L5-V12 WeakPolarHBondContact O-CA 3.34Å; Y6-V12 HydrophobicContact CD1-CB 4.5Å; Y6-V12 HydrophobicContact CD1-CG1 4.2Å; Y6-V12 HydrophobicContact CD1-CG2 3.52Å; Y6-V12 HydrophobicContact CE1-CG1 4.05Å; Y6-V12 HydrophobicContact CE1-CG2 3.77Å; Y6-V12 HydrophobicContact CG-CG2 4.35Å |
| 13 | F | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.7 | 175.6 | -62.2 | -100.6 | 0 | 0 | 0 | 109.6 | S4 L5 L7 H11 I121 R125 L126 L129 | S4-F13 CarbonylContact C-O 3.59Å; S4-F13 VanDerWaalsContact CA-O 3.27Å; S4-F13 WeakPolarHBondContact CA-O 3.49Å; L5-F13 HydrophobicContact CB-CB 4.27Å; L5-F13 HydrophobicContact CD2-CB 4.44Å; L5-F13 HydrophobicContact CD2-CD2 4.37Å; L5-F13 PolarHBondContact N-O 2.69Å; L5-F13 PolarHBondContact O-N 2.65Å; L7-F13 HydrophobicContact CD1-CD2 4.39Å; L7-F13 HydrophobicContact CD1-CE2 3.78Å; L7-F13 HydrophobicContact CG-CE2 4.34Å; H11-F13 HydrophobicContact CB-CE2 4.01Å; F13-I121 HydrophobicContact CB-CD1 4.03Å; F13-I121 HydrophobicContact CB-CG2 3.89Å; F13-I121 HydrophobicContact CD1-CG2 3.73Å; F13-I121 HydrophobicContact CG-CG2 4.08Å; F13-R125 HydrophobicContact CE1-CB 4.4Å; F13-R125 HydrophobicContact CE1-CG 3.99Å; F13-R125 HydrophobicContact CZ-CG 4.36Å; F13-L126 HydrophobicContact CD2-CD1 4.32Å; F13-L126 HydrophobicContact CE1-CB 4.32Å; F13-L126 HydrophobicContact CE2-CD1 3.83Å; F13-L126 HydrophobicContact CZ-CB 4.32Å; F13-L126 HydrophobicContact CZ-CD1 4.02Å; F13-L129 HydrophobicContact CE2-CD2 4.3Å; F13-L129 HydrophobicContact CZ-CD2 4.37Å |
| 14 | R | 92.7 | Very high | 93.5 | Very high | 202 Ų | 202 | 49.6 Ų | 49.6 | 76% | 0.762 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.7 | -177.9 | -67.5 | -175.7 | 177.8 | 173.8 | 0.1 | 110.3 | I121 | R14-I121 VanDerWaalsContact O-CD1 3.22Å; R14-I121 WeakPolarHBondContact O-CD1 2.92Å |
| 15 | G | 93.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | -162.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A3 A119 | A3-G15 PolarHBondContact N-O 2.96Å; A3-G15 PolarHBondContact O-N 3.43Å; A3-G15 VanDerWaalsContact O-O 3.13Å; G15-A119 CarbonylContact C-O 3.57Å; G15-A119 VanDerWaalsContact CA-O 3.27Å; G15-A119 WeakPolarHBondContact CA-O 3.43Å |
| 16 | Y | 92.9 | Very high | 93.3 | Very high | 134 Ų | 134 | 50.3 Ų | 50.3 | 53% | 0.525 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.5 | -178.5 | -55.3 | -80 | 0 | 0 | 0 | 110 | M1 F18 A119 | M1-Y16 CarbonylContact O-C 3.52Å; M1-Y16 WeakPolarHBondContact O-CA 3.35Å; Y16-F18 WeakPolarHBondContact O-CD2 3.31Å; Y16-A119 PolarHBondContact N-O 3.11Å; Y16-A119 PolarHBondContact O-N 3.46Å |
| 17 | C | 91.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.5 | 180 | -149.8 | 0 | 0 | 0 | 0 | 111.5 | M1 A3 C21 T116 C117 | M1-C17 HydrophobicContact CB-CB 4.35Å; M1-C17 PolarHBondContact O-N 3.43Å; A3-C17 HydrophobicContact CB-CB 3.85Å; C17-C21 VanDerWaalsContact C-SG 3.56Å; C17-C21 HydrophobicContact CB-CB 4.29Å; C17-C21 WeakPolarHBondContact SG-CA 3.29Å; C17-T116 VanDerWaalsContact SG-CG2 3.53Å; C17-C117 CarbonylContact C-O 3.56Å; C17-C117 WeakPolarHBondContact CA-O 3.34Å |
| 18 | F | 90.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 173.5 | 174 | -63.4 | -87 | 0 | 0 | 0 | 110.4 | Y16 C21 L91 C117 A119 | Y16-F18 WeakPolarHBondContact O-CD2 3.31Å; F18-C21 VanDerWaalsContact C-SG 3.5Å; F18-L91 HydrophobicContact CB-CD2 3.74Å; F18-L91 HydrophobicContact CD1-CD2 4.28Å; F18-L91 HydrophobicContact CD2-CD2 4.16Å; F18-L91 HydrophobicContact CG-CD2 3.82Å; F18-C117 HydrophobicContact CB-CB 4.26Å; F18-C117 PolarHBondContact N-O 2.7Å; F18-C117 PolarHBondContact O-N 3.22Å; F18-A119 HydrophobicContact CD2-CB 3.86Å; F18-A119 HydrophobicContact CE2-CB 3.79Å |
| 19 | G | 90.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.9 | -136.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C21 | G19-C21 VanDerWaalsContact C-N 3.26Å; G19-C21 PolarHBondContact O-N 3.31Å; G19-C21 PolarHBondContact O-SG 3.01Å |
| 20 | A | 91 | Very high | 93.3 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q22 V115 | A20-Q22 HydrophobicContact CB-CG 4.35Å; A20-V115 PolarHBondContact N-O 3.22Å |
| 21 | C | 90.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 25% | 0.25 | 18% | 0.175 | C | C | . | . | trans | 52.5 | 56 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 114.9 | C17 F18 G19 | C17-C21 VanDerWaalsContact C-SG 3.56Å; C17-C21 HydrophobicContact CB-CB 4.29Å; C17-C21 WeakPolarHBondContact SG-CA 3.29Å; F18-C21 VanDerWaalsContact C-SG 3.5Å; G19-C21 VanDerWaalsContact C-N 3.26Å; G19-C21 PolarHBondContact O-N 3.31Å; G19-C21 PolarHBondContact O-SG 3.01Å | ||
| 22 | Q | 93 | Very high | 93.1 | Very high | 106 Ų | 106 | 32.9 Ų | 32.9 | 50% | 0.495 | 16% | 0.159 | S | C | . | . | trans | -116.8 | 152.5 | 177.5 | -57.3 | -180 | 12.4 | 0 | 0 | 110.3 | A20 T116 | A20-Q22 HydrophobicContact CB-CG 4.35Å; Q22-T116 PolarHBondContact N-OG1 2.99Å; Q22-T116 PolarHBondContact O-OG1 2.82Å | ||
| 23 | S | 94.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | trans | -72.5 | 128.7 | 172.4 | -67.2 | 0 | 0 | 0 | 0 | 110.8 | I140 I141 V142 D145 Y150 | S23-I140 CarbonylContact C-O 3.57Å; S23-I140 WeakPolarHBondContact CA-O 3.19Å; S23-I140 WeakPolarHBondContact CB-O 3.36Å; S23-I141 WeakPolarHBondContact OG-CA 3.37Å; S23-V142 PolarHBondContact OG-N 3.13Å; S23-V142 VanDerWaalsContact OG-N 3.1Å; S23-D145 VanDerWaalsContact CB-OD2 3.28Å; S23-D145 WeakPolarHBondContact CB-OD2 3.32Å; S23-D145 WeakPolarHBondContact OG-CB 3.21Å; S23-D145 PolarHBondContact OG-OD2 3.33Å; S23-Y150 VanDerWaalsContact CB-CZ 3.41Å | ||
| 24 | E | 93.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.2 | -170.1 | -66.7 | -61.9 | 170.6 | 0 | 0 | 111.5 | L50 R84 K139 I140 | E24-L50 HydrophobicContact CB-CD2 4.49Å; E24-R84 HydrophobicContact CB-CG 4.45Å; E24-R84 IonicContact OE1-NH2 3.4Å; E24-R84 IonicContact OE2-CZ 3.68Å; E24-R84 IonicContact OE2-NE 3.72Å; E24-R84 PolarHBondContact OE2-NE 2.91Å; E24-R84 IonicContact OE2-NH2 2.86Å; E24-R84 PolarHBondContact OE2-NH2 3.18Å; E24-K139 CarbonylContact O-C 3.54Å; E24-K139 WeakPolarHBondContact O-CA 3.23Å; E24-I140 PolarHBondContact N-O 3.45Å; E24-I140 PolarHBondContact O-N 2.87Å |
| 25 | V | 95.2 | Very high | 92 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 21% | 0.212 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.8 | 174.2 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | G138 K139 Y150 N151 C153 | V25-G138 WeakPolarHBondContact CA-O 3.47Å; V25-K139 HydrophobicContact CB-CB 4.49Å; V25-K139 HydrophobicContact CG2-CB 3.89Å; V25-Y150 HydrophobicContact CG2-CD1 4.18Å; V25-N151 WeakPolarHBondContact CG1-O 3.28Å; V25-C153 HydrophobicContact CG1-CB 4.2Å |
| 26 | G | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G48 G138 | G26-G48 WeakPolarHBondContact CA-O 3.42Å; G26-G138 PolarHBondContact N-O 3.07Å; G26-G138 PolarHBondContact O-N 2.86Å; G26-G138 VanDerWaalsContact O-O 3.11Å |
| 27 | E | 94.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 15.4 Ų | 15.4 | 5% | 0.051 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.3 | 171.7 | 179.6 | 179.2 | -141.9 | 0 | 0 | 109.8 | V29 G48 Q49 L50 I155 N156 R271 | E27-V29 HydrophobicContact CG-CG1 4.25Å; E27-G48 PolarHBondContact N-O 2.94Å; E27-Q49 HydrophobicContact CB-CG 4.34Å; E27-Q49 CarbonylContact O-C 3.5Å; E27-Q49 VanDerWaalsContact O-CA 3.28Å; E27-Q49 WeakPolarHBondContact O-CA 3.14Å; E27-Q49 WeakPolarHBondContact O-CB 3.24Å; E27-Q49 PolarHBondContact OE2-NE2 2.79Å; E27-L50 PolarHBondContact O-N 3.1Å; E27-I155 HydrophobicContact CB-CD1 3.83Å; E27-I155 HydrophobicContact CB-CG1 4.15Å; E27-N156 PolarHBondContact OE1-ND2 3.3Å; E27-N156 PolarHBondContact OE2-ND2 3.4Å; E27-R271 IonicContact OE1-CZ 3.99Å; E27-R271 IonicContact OE1-NH2 2.98Å; E27-R271 PolarHBondContact OE1-NH2 2.8Å |
| 28 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 131.3 | 174 | -91.4 | 84.8 | 0 | 0 | 0 | 111.2 | L5 L7 L50 V52 I87 L126 L130 M136 | L5-L28 HydrophobicContact CD1-CD1 4.22Å; L5-L28 HydrophobicContact CD1-CD2 4.38Å; L5-L28 HydrophobicContact CD2-CD2 4.08Å; L7-L28 HydrophobicContact CD2-CD1 3.79Å; L7-L28 HydrophobicContact CD2-CD2 3.45Å; L7-L28 VanDerWaalsContact CD2-CD2 3.45Å; L7-L28 HydrophobicContact CD2-CG 4.26Å; L28-L50 HydrophobicContact CD1-CB 4.36Å; L28-L50 HydrophobicContact CD1-CD1 3.75Å; L28-L50 HydrophobicContact CD1-CG 4.49Å; L28-L50 HydrophobicContact CG-CB 4.26Å; L28-L50 HydrophobicContact CG-CD1 4.49Å; L28-V52 HydrophobicContact CD2-CG2 4.41Å; L28-I87 HydrophobicContact CD2-CD1 4.43Å; L28-L126 HydrophobicContact CD2-CD1 3.88Å; L28-L126 HydrophobicContact CD2-CD2 4.17Å; L28-L126 HydrophobicContact CD2-CG 4.4Å; L28-L130 HydrophobicContact CB-CD1 4.12Å; L28-L130 HydrophobicContact CB-CD2 3.73Å; L28-L130 HydrophobicContact CD2-CD1 4.28Å; L28-L130 HydrophobicContact CD2-CD2 4.28Å; L28-M136 PolarHBondContact N-O 2.63Å |
| 29 | V | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.1 | 173.9 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | E27 Y46 Q49 L50 L51 V52 | E27-V29 HydrophobicContact CG-CG1 4.25Å; V29-Y46 HydrophobicContact CG2-CD1 3.98Å; V29-Y46 HydrophobicContact CG2-CE1 3.93Å; V29-Q49 HydrophobicContact CG2-CB 3.99Å; V29-L50 PolarHBondContact N-O 3.36Å; V29-L50 VanDerWaalsContact N-O 3.14Å; V29-L51 HydrophobicContact CG2-CD1 3.99Å; V29-V52 WeakPolarHBondContact O-CB 3.35Å; V29-V52 PolarHBondContact O-N 3Å |
| 30 | F | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 14 Ų | 14 | 2% | 0.022 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 155.2 | 177.3 | 66.6 | -96.6 | 0 | 0 | 0 | 111.9 | T32 V52 T54 T127 L130 F274 R277 E889 | F30-T32 HydrophobicContact CD2-CG2 4.22Å; F30-T32 HydrophobicContact CE2-CG2 4.33Å; F30-V52 CarbonylContact C-O 3.53Å; F30-V52 VanDerWaalsContact CA-O 3.24Å; F30-V52 WeakPolarHBondContact CA-O 3.27Å; F30-V52 HydrophobicContact CB-CB 4.08Å; F30-T54 HydrophobicContact CD2-CG2 4.47Å; F30-T127 HydrophobicContact CB-CG2 4.48Å; F30-T127 HydrophobicContact CD1-CG2 4.12Å; F30-T127 HydrophobicContact CD2-CG2 3.86Å; F30-T127 HydrophobicContact CE1-CG2 4.29Å; F30-T127 HydrophobicContact CE2-CG2 4.06Å; F30-T127 HydrophobicContact CG-CG2 3.89Å; F30-T127 HydrophobicContact CZ-CG2 4.27Å; F30-L130 HydrophobicContact CB-CD1 4.38Å; F30-L130 HydrophobicContact CD1-CB 3.88Å; F30-L130 HydrophobicContact CD1-CD1 4.09Å; F30-L130 HydrophobicContact CE1-CB 4.2Å; F30-F274 HydrophobicContact CE1-CB 4.09Å; F30-F274 AromaticContact CE1-CD2 3.76Å; F30-F274 HydrophobicContact CE1-CD2 3.76Å; F30-F274 HydrophobicContact CE1-CG 4.09Å; F30-F274 AromaticContact CZ-CD2 3.46Å; F30-F274 HydrophobicContact CZ-CD2 3.46Å; F30-F274 VanDerWaalsContact CZ-CD2 3.46Å; F30-F274 AromaticContact CZ-CE2 3.84Å; F30-F274 HydrophobicContact CZ-CE2 3.84Å; F30-F274 HydrophobicContact CZ-CG 4.19Å; F30-R277 WeakPolarHBondContact O-CB 3.29Å; F30-E889 HydrophobicContact CE2-CB 4.1Å; F30-E889 HydrophobicContact CE2-CG 3.86Å; F30-E889 HydrophobicContact CZ-CG 4.21Å |
| 31 | H | 92.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.1 | 178.5 | -170.2 | -91.5 | 0 | 0 | 0 | 110.9 | G33 Y46 L51 V52 F53 T54 R277 H279 | H31-G33 PolarHBondContact CE1-N 2.82Å; H31-G33 PolarHBondContact ND1-N 2.9Å; H31-G33 VanDerWaalsContact ND1-N 3.17Å; H31-Y46 PolarHBondContact CD2-OH 2.96Å; H31-L51 HydrophobicContact CB-CD1 3.86Å; H31-V52 PolarHBondContact N-O 3.46Å; H31-F53 HydrophobicContact CB-CD1 4.4Å; H31-F53 HydrophobicContact CB-CE1 4.32Å; H31-F53 AromaticContact ND1-CD1 3.92Å; H31-F53 AromaticContact ND1-CE1 3.38Å; H31-F53 WeakPolarHBondContact ND1-CE1 3.32Å; H31-T54 PolarHBondContact O-N 2.93Å; H31-T54 VanDerWaalsContact O-N 3.09Å; H31-R277 WeakPolarHBondContact CA-O 3.38Å; H31-R277 PolarHBondContact CD2-O 2.94Å; H31-H279 AromaticContact CE1-CD2 3.71Å; H31-H279 AromaticContact CE1-CE1 3.72Å; H31-H279 AromaticContact CE1-NE2 3.37Å; H31-H279 PolarHBondContact CE1-NE2 3.11Å; H31-H279 AromaticContact NE2-CD2 3.49Å; H31-H279 PolarHBondContact NE2-CD2 3Å; H31-H279 AromaticContact NE2-NE2 3.33Å; H31-H279 PolarHBondContact NE2-NE2 2.8Å |
| 32 | T | 89.5 | Confident | 91.6 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | trans | -97.2 | 0.1 | -174.8 | 52 | 0 | 0 | 0 | 0 | 115.1 | F30 M34 T54 S278 A887 E889 | F30-T32 HydrophobicContact CD2-CG2 4.22Å; F30-T32 HydrophobicContact CE2-CG2 4.33Å; T32-M34 PolarHBondContact O-N 2.93Å; T32-T54 WeakPolarHBondContact CA-OG1 3.36Å; T32-T54 HydrophobicContact CG2-CG2 3.84Å; T32-S278 WeakPolarHBondContact OG1-CB 3.37Å; T32-A887 HydrophobicContact CG2-CB 4.05Å; T32-E889 HydrophobicContact CG2-CB 3.97Å; T32-E889 WeakPolarHBondContact CG2-OE2 3.43Å; T32-E889 PolarHBondContact OG1-OE2 3.48Å | ||
| 33 | G | 86.4 | Confident | 91.6 | Very high | 5 Ų | 5 | 6 Ų | 6 | 5% | 0.052 | 3% | 0.034 | C | C | . | . | trans | -61.2 | 130.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H31 | H31-G33 PolarHBondContact CE1-N 2.82Å; H31-G33 PolarHBondContact ND1-N 2.9Å; H31-G33 VanDerWaalsContact ND1-N 3.17Å | ||
| 34 | M | 85.2 | Confident | 91.5 | Very high | 21 Ų | 21 | 5.7 Ų | 5.7 | 10% | 0.103 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -81.9 | -18.1 | 178.7 | -60.8 | -175.9 | -67.6 | 0 | 0 | 113.3 | T32 Y55 P609 Y618 P705 M707 | T32-M34 PolarHBondContact O-N 2.93Å; M34-Y55 HydrophobicContact CB-CD2 4.45Å; M34-Y55 HydrophobicContact CG-CD2 4.23Å; M34-P609 HydrophobicContact CE-CB 4.27Å; M34-P609 HydrophobicContact SD-CB 3.67Å; M34-P609 HydrophobicContact SD-CG 3.74Å; M34-Y618 WeakPolarHBondContact CE-OH 3.45Å; M34-P705 VanDerWaalsContact CE-O 3.29Å; M34-P705 WeakPolarHBondContact CE-O 3.46Å; M34-M707 HydrophobicContact SD-CB 4.3Å; M34-M707 HydrophobicContact SD-CE 4.23Å; M34-M707 PolarHBondContact SD-N 3.39Å |
| 35 | A | 86.5 | Confident | 91.5 | Very high | 7 Ų | 7 | 5.4 Ų | 5.4 | 6% | 0.058 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -140.8 | 168.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y618 | A35-Y618 HydrophobicContact CB-CD2 4.43Å; A35-Y618 HydrophobicContact CB-CG 4.29Å |
| 36 | G | 87.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | 88.3 | 26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T38 E39 A40 Y61 | G36-T38 PolarHBondContact O-N 3.32Å; G36-E39 WeakPolarHBondContact CA-OE2 3.43Å; G36-E39 PolarHBondContact O-N 3.09Å; G36-A40 PolarHBondContact O-N 3.46Å; G36-A40 VanDerWaalsContact O-N 3.13Å; G36-Y61 WeakPolarHBondContact CA-OH 3.46Å; G36-Y61 PolarHBondContact N-OH 2.95Å | ||
| 37 | Y | 90.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 6.8 Ų | 6.8 | 1% | 0.012 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.4 | -24.9 | -178.5 | 58.2 | -108.8 | 0 | 0 | 0 | 113.3 | L41 I58 G59 Y61 G62 L106 | Y37-L41 WeakPolarHBondContact O-CB 3.19Å; Y37-L41 WeakPolarHBondContact O-CD1 3.32Å; Y37-L41 WeakPolarHBondContact O-CG 3.26Å; Y37-L41 PolarHBondContact O-N 2.7Å; Y37-I58 HydrophobicContact CD1-CG2 3.84Å; Y37-I58 HydrophobicContact CD2-CG2 4.45Å; Y37-I58 HydrophobicContact CE1-CG2 4.41Å; Y37-I58 HydrophobicContact CG-CG2 3.87Å; Y37-G59 WeakPolarHBondContact OH-CA 3.38Å; Y37-Y61 AromaticContact CD1-CE1 3.82Å; Y37-Y61 HydrophobicContact CD1-CE1 3.82Å; Y37-Y61 HydrophobicContact CD1-CE2 4.45Å; Y37-Y61 AromaticContact CD1-CZ 3.64Å; Y37-Y61 WeakPolarHBondContact CD1-OH 3.32Å; Y37-Y61 AromaticContact CE1-CD1 3.78Å; Y37-Y61 HydrophobicContact CE1-CD1 3.78Å; Y37-Y61 HydrophobicContact CE1-CD2 4.24Å; Y37-Y61 AromaticContact CE1-CE1 3.21Å; Y37-Y61 HydrophobicContact CE1-CE1 3.21Å; Y37-Y61 AromaticContact CE1-CE2 3.74Å; Y37-Y61 HydrophobicContact CE1-CE2 3.74Å; Y37-Y61 HydrophobicContact CE1-CG 4.26Å; Y37-Y61 AromaticContact CE1-CZ 3.18Å; Y37-Y61 WeakPolarHBondContact CE1-OH 3.43Å; Y37-Y61 AromaticContact CE2-CE2 3.96Å; Y37-Y61 HydrophobicContact CE2-CE2 3.96Å; Y37-Y61 AromaticContact CZ-CD2 3.79Å; Y37-Y61 AromaticContact CZ-CE1 3.79Å; Y37-Y61 AromaticContact CZ-CE2 3.41Å; Y37-Y61 VanDerWaalsContact CZ-CE2 3.41Å; Y37-Y61 AromaticContact CZ-CZ 3.41Å; Y37-Y61 VanDerWaalsContact CZ-CZ 3.41Å; Y37-Y61 PolarHBondContact N-OH 3.24Å; Y37-Y61 WeakPolarHBondContact OH-CD2 3.39Å; Y37-Y61 WeakPolarHBondContact OH-CE2 3.43Å; Y37-Y61 PolarHBondContact OH-N 2.82Å; Y37-G62 WeakPolarHBondContact CE2-O 3.01Å; Y37-G62 PolarHBondContact OH-N 3.41Å; Y37-G62 PolarHBondContact OH-O 3.42Å; Y37-L106 HydrophobicContact CD2-CD1 4.36Å; Y37-L106 HydrophobicContact CD2-CD2 4.1Å; Y37-L106 HydrophobicContact CE2-CD1 4.34Å; Y37-L106 HydrophobicContact CE2-CD2 4.08Å |
| 38 | T | 89.6 | Confident | 91.2 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 1% | 0.012 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 176.6 | 25.9 | 0 | 0 | 0 | 0 | 111.4 | G36 L41 T42 V63 F76 W109 | G36-T38 PolarHBondContact O-N 3.32Å; T38-L41 PolarHBondContact O-N 3.22Å; T38-T42 WeakPolarHBondContact O-CG2 3.37Å; T38-T42 PolarHBondContact O-N 3.29Å; T38-T42 PolarHBondContact O-OG1 3.1Å; T38-T42 VanDerWaalsContact O-OG1 3.11Å; T38-V63 HydrophobicContact CG2-CB 4.45Å; T38-V63 HydrophobicContact CG2-CG1 4.07Å; T38-V63 HydrophobicContact CG2-CG2 4.22Å; T38-F76 HydrophobicContact CG2-CE1 4.24Å; T38-W109 HydrophobicContact CG2-CH2 4.21Å; T38-W109 HydrophobicContact CG2-CZ3 3.82Å |
| 39 | E | 89 | Confident | 91.2 | Very high | 11 Ų | 11 | 7.3 Ų | 7.3 | 5% | 0.051 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.1 | -49.3 | -179.3 | -64.7 | 76.6 | -177.7 | 0 | 0 | 109.4 | G36 L41 T42 D43 E77 A343 C344 | G36-E39 WeakPolarHBondContact CA-OE2 3.43Å; G36-E39 PolarHBondContact O-N 3.09Å; E39-L41 PolarHBondContact O-N 3.04Å; E39-T42 CarbonylContact O-C 3.37Å; E39-T42 PolarHBondContact O-N 3.1Å; E39-T42 PolarHBondContact O-OG1 3.25Å; E39-D43 PolarHBondContact O-N 3.25Å; E39-E77 HydrophobicContact CB-CG 4.14Å; E39-A343 HydrophobicContact CG-CB 4.11Å; E39-C344 VanDerWaalsContact CD-SG 3.53Å; E39-C344 HydrophobicContact CG-CB 3.89Å; E39-C344 PolarHBondContact OE1-SG 3.21Å |
| 40 | A | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G36 T42 D43 Y46 L51 F53 | G36-A40 PolarHBondContact O-N 3.46Å; G36-A40 VanDerWaalsContact O-N 3.13Å; A40-T42 PolarHBondContact O-N 3.15Å; A40-D43 PolarHBondContact O-N 3.16Å; A40-Y46 HydrophobicContact CB-CE2 4.28Å; A40-Y46 WeakPolarHBondContact O-CD2 3.48Å; A40-L51 HydrophobicContact CB-CD2 4.42Å; A40-F53 HydrophobicContact CB-CZ 3.87Å |
| 41 | L | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.4 | -31.9 | 176.6 | -77.8 | 170.6 | 0 | 0 | 0 | 112.5 | Y37 T38 E39 L51 I81 W82 A83 L86 L106 W109 L110 | Y37-L41 WeakPolarHBondContact O-CB 3.19Å; Y37-L41 WeakPolarHBondContact O-CD1 3.32Å; Y37-L41 WeakPolarHBondContact O-CG 3.26Å; Y37-L41 PolarHBondContact O-N 2.7Å; T38-L41 PolarHBondContact O-N 3.22Å; E39-L41 PolarHBondContact O-N 3.04Å; L41-L51 HydrophobicContact CD2-CD2 4.45Å; L41-I81 HydrophobicContact CB-CG1 4.37Å; L41-I81 HydrophobicContact CB-CG2 4.05Å; L41-I81 HydrophobicContact CD2-CG2 4.09Å; L41-I81 CarbonylContact O-C 3.52Å; L41-I81 WeakPolarHBondContact O-CA 3.36Å; L41-I81 WeakPolarHBondContact O-CG2 3.27Å; L41-W82 PolarHBondContact O-N 2.95Å; L41-A83 HydrophobicContact CD2-CB 3.89Å; L41-L86 HydrophobicContact CD2-CD1 4.39Å; L41-L106 HydrophobicContact CD1-CD1 3.92Å; L41-W109 HydrophobicContact CB-CH2 4.16Å; L41-W109 HydrophobicContact CB-CZ3 4.22Å; L41-W109 HydrophobicContact CD1-CE3 4.41Å; L41-W109 HydrophobicContact CD1-CH2 4.49Å; L41-W109 HydrophobicContact CD1-CZ3 3.74Å; L41-L110 HydrophobicContact CD1-CD2 4.38Å |
| 42 | T | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 2.7 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | T38 E39 A40 P44 F76 E77 S78 T80 W82 W109 | T38-T42 WeakPolarHBondContact O-CG2 3.37Å; T38-T42 PolarHBondContact O-N 3.29Å; T38-T42 PolarHBondContact O-OG1 3.1Å; T38-T42 VanDerWaalsContact O-OG1 3.11Å; E39-T42 CarbonylContact O-C 3.37Å; E39-T42 PolarHBondContact O-N 3.1Å; E39-T42 PolarHBondContact O-OG1 3.25Å; A40-T42 PolarHBondContact O-N 3.15Å; T42-P44 WeakPolarHBondContact O-CD 3.48Å; T42-F76 HydrophobicContact CG2-CB 4.14Å; T42-F76 HydrophobicContact CG2-CD1 4.04Å; T42-F76 HydrophobicContact CG2-CG 4.27Å; T42-E77 PolarHBondContact OG1-N 3.47Å; T42-S78 WeakPolarHBondContact O-CB 3.35Å; T42-S78 PolarHBondContact O-N 3.4Å; T42-S78 PolarHBondContact O-OG 2.9Å; T42-T80 WeakPolarHBondContact CA-O 3.28Å; T42-T80 WeakPolarHBondContact CG2-O 3.34Å; T42-W82 VanDerWaalsContact O-CD1 3.31Å; T42-W109 HydrophobicContact CG2-CH2 3.77Å; T42-W109 HydrophobicContact CG2-CZ2 3.8Å |
| 43 | D | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -74.4 | 117.5 | 175.2 | 173.3 | 1.5 | 0 | 0 | 0 | 109.9 | E39 A40 S45 Y46 K190 N297 | E39-D43 PolarHBondContact O-N 3.25Å; A40-D43 PolarHBondContact O-N 3.16Å; D43-S45 PolarHBondContact O-N 3.13Å; D43-S45 WeakPolarHBondContact OD1-CB 3.4Å; D43-S45 PolarHBondContact OD1-N 3.28Å; D43-S45 PolarHBondContact OD1-OG 3.38Å; D43-Y46 HydrophobicContact CB-CD2 3.89Å; D43-Y46 HydrophobicContact CB-CE2 4.25Å; D43-Y46 PolarHBondContact O-N 2.65Å; D43-Y46 VanDerWaalsContact O-N 3.11Å; D43-K190 WeakPolarHBondContact OD1-CE 3.19Å; D43-K190 IonicContact OD1-NZ 3.38Å; D43-K190 WeakPolarHBondContact OD2-CE 3.36Å; D43-K190 IonicContact OD2-NZ 2.9Å; D43-K190 PolarHBondContact OD2-NZ 3.15Å; D43-N297 PolarHBondContact OD2-ND2 2.7Å | ||
| 44 | P | 94.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 6.8 Ų | 6.8 | 2% | 0.019 | 4% | 0.035 | C | C | . | . | G | 310 helix | trans | -57 | -22.5 | 179.9 | -22.3 | 32.3 | 0 | 0 | 0 | 114.6 | T42 Y46 Y47 W82 V164 | T42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-Y46 PolarHBondContact O-N 3Å; P44-Y47 WeakPolarHBondContact O-CB 3.37Å; P44-Y47 PolarHBondContact O-N 3.3Å; P44-Y47 VanDerWaalsContact O-N 3.11Å; P44-W82 VanDerWaalsContact CA-CD1 3.44Å; P44-W82 HydrophobicContact CB-CD2 4.44Å; P44-W82 HydrophobicContact CB-CG 4.34Å; P44-V164 HydrophobicContact CB-CB 4.04Å; P44-V164 HydrophobicContact CB-CG1 4.27Å; P44-V164 HydrophobicContact CB-CG2 4.47Å |
| 45 | S | 93.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 6 Ų | 6 | 4% | 0.042 | 3% | 0.031 | C | C | . | . | G | 310 helix | trans | -68.2 | -16 | -179.1 | -37.8 | 0 | 0 | 0 | 0 | 112.9 | D43 Y47 N225 N297 | D43-S45 PolarHBondContact O-N 3.13Å; D43-S45 WeakPolarHBondContact OD1-CB 3.4Å; D43-S45 PolarHBondContact OD1-N 3.28Å; D43-S45 PolarHBondContact OD1-OG 3.38Å; S45-Y47 VanDerWaalsContact C-N 3.34Å; S45-N225 PolarHBondContact OG-ND2 3.37Å; S45-N297 WeakPolarHBondContact CB-ND2 3.41Å |
| 46 | Y | 93.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 5.8 Ų | 5.8 | 1% | 0.012 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -88.3 | 7.3 | 173 | -71.7 | -66.5 | 0 | 0 | 0 | 114.3 | V29 H31 A40 D43 P44 G48 Q49 L51 N297 | V29-Y46 HydrophobicContact CG2-CD1 3.98Å; V29-Y46 HydrophobicContact CG2-CE1 3.93Å; H31-Y46 PolarHBondContact CD2-OH 2.96Å; A40-Y46 HydrophobicContact CB-CE2 4.28Å; A40-Y46 WeakPolarHBondContact O-CD2 3.48Å; D43-Y46 HydrophobicContact CB-CD2 3.89Å; D43-Y46 HydrophobicContact CB-CE2 4.25Å; D43-Y46 PolarHBondContact O-N 2.65Å; D43-Y46 VanDerWaalsContact O-N 3.11Å; P44-Y46 PolarHBondContact O-N 3Å; Y46-G48 PolarHBondContact O-N 2.98Å; Y46-Q49 VanDerWaalsContact CD1-OE1 3.25Å; Y46-Q49 WeakPolarHBondContact O-CB 3.5Å; Y46-Q49 PolarHBondContact O-N 3.34Å; Y46-L51 HydrophobicContact CD1-CD1 3.93Å; Y46-L51 HydrophobicContact CD2-CD2 4.38Å; Y46-L51 HydrophobicContact CE1-CD1 3.48Å; Y46-L51 VanDerWaalsContact CE1-CD1 3.48Å; Y46-L51 HydrophobicContact CE2-CD2 4.32Å; Y46-L51 HydrophobicContact CG-CD2 4.49Å; Y46-N297 VanDerWaalsContact CD2-ND2 3.34Å; Y46-N297 WeakPolarHBondContact CD2-ND2 3.2Å; Y46-N297 WeakPolarHBondContact CE2-ND2 3.21Å |
| 47 | Y | 94.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 6.1 Ų | 6.1 | 24% | 0.243 | 3% | 0.031 | C | C | . | . | B | Isolated β-bridge | trans | -53.1 | 124.9 | 179.8 | 175.8 | -107.6 | 0 | 0 | 0 | 112.5 | P44 S45 Q49 W82 L160 Y163 V164 | P44-Y47 WeakPolarHBondContact O-CB 3.37Å; P44-Y47 PolarHBondContact O-N 3.3Å; P44-Y47 VanDerWaalsContact O-N 3.11Å; S45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-Q49 VanDerWaalsContact C-N 3.26Å; Y47-Q49 PolarHBondContact O-N 2.95Å; Y47-W82 WeakPolarHBondContact CA-O 3.39Å; Y47-W82 AromaticContact CD2-CE3 3.75Å; Y47-W82 HydrophobicContact CD2-CE3 3.75Å; Y47-W82 HydrophobicContact CD2-CZ3 4.21Å; Y47-W82 HydrophobicContact CE2-CE3 4.49Å; Y47-W82 HydrophobicContact CG-CE3 4.43Å; Y47-L160 HydrophobicContact CD1-CB 4.45Å; Y47-L160 HydrophobicContact CD1-CD2 4.05Å; Y47-L160 HydrophobicContact CE1-CD2 4.1Å; Y47-Y163 HydrophobicContact CE1-CD1 4.19Å; Y47-Y163 HydrophobicContact CE1-CD2 4.06Å; Y47-Y163 AromaticContact CE1-CG 3.67Å; Y47-Y163 HydrophobicContact CE1-CG 3.67Å; Y47-Y163 AromaticContact CZ-CD1 3.95Å; Y47-Y163 AromaticContact CZ-CG 3.85Å; Y47-Y163 WeakPolarHBondContact OH-CD1 3.16Å; Y47-V164 HydrophobicContact CD1-CG1 4.27Å; Y47-V164 HydrophobicContact CD2-CG1 4.31Å; Y47-V164 HydrophobicContact CG-CG1 3.8Å |
| 48 | G | 91.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 6.1 Ų | 6.1 | 11% | 0.113 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 2.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G26 E27 Y46 | G26-G48 WeakPolarHBondContact CA-O 3.42Å; E27-G48 PolarHBondContact N-O 2.94Å; Y46-G48 PolarHBondContact O-N 2.98Å |
| 49 | Q | 95.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 6 Ų | 6 | 5% | 0.047 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 149.6 | -178.2 | -57.8 | -172.3 | -38.7 | 0 | 0 | 112.4 | E27 V29 Y46 Y47 R84 I155 | E27-Q49 HydrophobicContact CB-CG 4.34Å; E27-Q49 CarbonylContact O-C 3.5Å; E27-Q49 VanDerWaalsContact O-CA 3.28Å; E27-Q49 WeakPolarHBondContact O-CA 3.14Å; E27-Q49 WeakPolarHBondContact O-CB 3.24Å; E27-Q49 PolarHBondContact OE2-NE2 2.79Å; V29-Q49 HydrophobicContact CG2-CB 3.99Å; Y46-Q49 VanDerWaalsContact CD1-OE1 3.25Å; Y46-Q49 WeakPolarHBondContact O-CB 3.5Å; Y46-Q49 PolarHBondContact O-N 3.34Å; Y47-Q49 VanDerWaalsContact C-N 3.26Å; Y47-Q49 PolarHBondContact O-N 2.95Å; Q49-R84 WeakPolarHBondContact O-CB 3.45Å; Q49-R84 PolarHBondContact O-N 2.86Å; Q49-I155 HydrophobicContact CG-CD1 3.85Å |
| 50 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 105 | 171.5 | -49.9 | -178.7 | 0 | 0 | 0 | 107.7 | L5 E24 E27 L28 V29 R84 A85 I87 G138 | L5-L50 HydrophobicContact CD1-CD1 4.45Å; E24-L50 HydrophobicContact CB-CD2 4.49Å; E27-L50 PolarHBondContact O-N 3.1Å; L28-L50 HydrophobicContact CD1-CB 4.36Å; L28-L50 HydrophobicContact CD1-CD1 3.75Å; L28-L50 HydrophobicContact CD1-CG 4.49Å; L28-L50 HydrophobicContact CG-CB 4.26Å; L28-L50 HydrophobicContact CG-CD1 4.49Å; V29-L50 PolarHBondContact N-O 3.36Å; V29-L50 VanDerWaalsContact N-O 3.14Å; L50-R84 HydrophobicContact CD2-CB 4.08Å; L50-R84 HydrophobicContact CD2-CG 4.27Å; L50-A85 HydrophobicContact CD2-CB 3.59Å; L50-I87 HydrophobicContact CB-CD1 4.11Å; L50-G138 WeakPolarHBondContact CD1-O 3.26Å |
| 51 | L | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.7 | -169.8 | -176.9 | 58.2 | 0 | 0 | 0 | 111.4 | V29 H31 A40 L41 Y46 F53 A83 A85 L86 I87 | V29-L51 HydrophobicContact CG2-CD1 3.99Å; H31-L51 HydrophobicContact CB-CD1 3.86Å; A40-L51 HydrophobicContact CB-CD2 4.42Å; L41-L51 HydrophobicContact CD2-CD2 4.45Å; Y46-L51 HydrophobicContact CD1-CD1 3.93Å; Y46-L51 HydrophobicContact CD2-CD2 4.38Å; Y46-L51 HydrophobicContact CE1-CD1 3.48Å; Y46-L51 VanDerWaalsContact CE1-CD1 3.48Å; Y46-L51 HydrophobicContact CE2-CD2 4.32Å; Y46-L51 HydrophobicContact CG-CD2 4.49Å; L51-F53 HydrophobicContact CD2-CD2 4.41Å; L51-F53 HydrophobicContact CD2-CE2 3.59Å; L51-F53 HydrophobicContact CD2-CZ 4.13Å; L51-F53 HydrophobicContact CG-CD2 4.26Å; L51-F53 HydrophobicContact CG-CE2 3.93Å; L51-A83 HydrophobicContact CB-CB 4.24Å; L51-A85 PolarHBondContact N-O 3.21Å; L51-L86 CarbonylContact O-C 3.42Å; L51-I87 PolarHBondContact O-N 3.43Å |
| 52 | V | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.2 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | L28 V29 F30 H31 I87 T123 L126 L130 | L28-V52 HydrophobicContact CD2-CG2 4.41Å; V29-V52 WeakPolarHBondContact O-CB 3.35Å; V29-V52 PolarHBondContact O-N 3Å; F30-V52 CarbonylContact C-O 3.53Å; F30-V52 VanDerWaalsContact CA-O 3.24Å; F30-V52 WeakPolarHBondContact CA-O 3.27Å; F30-V52 HydrophobicContact CB-CB 4.08Å; H31-V52 PolarHBondContact N-O 3.46Å; V52-I87 WeakPolarHBondContact CA-O 3.44Å; V52-I87 HydrophobicContact CB-CB 4.4Å; V52-I87 HydrophobicContact CG1-CG2 4.36Å; V52-I87 HydrophobicContact CG2-CB 3.97Å; V52-I87 HydrophobicContact CG2-CD1 3.88Å; V52-I87 HydrophobicContact CG2-CG2 4.26Å; V52-T123 HydrophobicContact CG1-CG2 4.1Å; V52-L126 HydrophobicContact CB-CD2 4.48Å; V52-L126 HydrophobicContact CG1-CD2 3.98Å; V52-L126 HydrophobicContact CG2-CD2 3.62Å; V52-L126 HydrophobicContact CG2-CG 4.34Å; V52-L130 HydrophobicContact CG2-CD1 4.4Å |
| 53 | F | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 6 Ų | 6 | 0% | 0.004 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.9 | 166.9 | -82.4 | -93.8 | 0 | 0 | 0 | 110.6 | H31 A40 L51 I58 L86 I87 V88 T123 | H31-F53 HydrophobicContact CB-CD1 4.4Å; H31-F53 HydrophobicContact CB-CE1 4.32Å; H31-F53 AromaticContact ND1-CD1 3.92Å; H31-F53 AromaticContact ND1-CE1 3.38Å; H31-F53 WeakPolarHBondContact ND1-CE1 3.32Å; A40-F53 HydrophobicContact CB-CZ 3.87Å; L51-F53 HydrophobicContact CD2-CD2 4.41Å; L51-F53 HydrophobicContact CD2-CE2 3.59Å; L51-F53 HydrophobicContact CD2-CZ 4.13Å; L51-F53 HydrophobicContact CG-CD2 4.26Å; L51-F53 HydrophobicContact CG-CE2 3.93Å; F53-I58 HydrophobicContact CB-CD1 3.73Å; F53-I58 HydrophobicContact CB-CG1 3.77Å; F53-I58 HydrophobicContact CD1-CD1 3.85Å; F53-I58 HydrophobicContact CG-CD1 3.82Å; F53-I58 HydrophobicContact CG-CG1 4.15Å; F53-L86 HydrophobicContact CD2-CD1 3.47Å; F53-L86 VanDerWaalsContact CD2-CD1 3.47Å; F53-L86 HydrophobicContact CE2-CD1 3.78Å; F53-I87 PolarHBondContact N-O 3.35Å; F53-V88 HydrophobicContact CB-CG1 4.33Å; F53-T123 WeakPolarHBondContact O-CG2 3.21Å |
| 54 | T | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | trans | -78.6 | -32.6 | 179 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | F30 H31 T32 T123 T127 A887 | F30-T54 HydrophobicContact CD2-CG2 4.47Å; H31-T54 PolarHBondContact O-N 2.93Å; H31-T54 VanDerWaalsContact O-N 3.09Å; T32-T54 WeakPolarHBondContact CA-OG1 3.36Å; T32-T54 HydrophobicContact CG2-CG2 3.84Å; T54-T123 PolarHBondContact O-OG1 3.06Å; T54-T127 HydrophobicContact CG2-CG2 4.07Å; T54-T127 VanDerWaalsContact CG2-OG1 3.32Å; T54-T127 WeakPolarHBondContact CG2-OG1 3.49Å; T54-A887 WeakPolarHBondContact OG1-CB 3.36Å | ||
| 55 | Y | 90.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 11.3 Ų | 11.3 | 2% | 0.016 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -58 | 133.2 | 178.9 | -174.6 | -119.3 | 0 | 0 | 0 | 110.4 | M34 L57 I58 P609 Q611 M707 | M34-Y55 HydrophobicContact CB-CD2 4.45Å; M34-Y55 HydrophobicContact CG-CD2 4.23Å; Y55-L57 VanDerWaalsContact C-N 3.26Å; Y55-L57 WeakPolarHBondContact CD1-O 3.46Å; Y55-L57 HydrophobicContact CE1-CB 4.32Å; Y55-L57 WeakPolarHBondContact CE1-O 3.04Å; Y55-L57 PolarHBondContact O-N 2.81Å; Y55-I58 HydrophobicContact CD1-CD1 4.18Å; Y55-P609 HydrophobicContact CD2-CG 4.19Å; Y55-P609 HydrophobicContact CE2-CG 3.28Å; Y55-Q611 PolarHBondContact OH-NE2 3.24Å; Y55-Q611 PolarHBondContact OH-OE1 2.84Å; Y55-M707 WeakPolarHBondContact CD2-O 3.2Å |
| 56 | P | 84 | Confident | 87.7 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -67.2 | -26.3 | -165.3 | -23.8 | 34.8 | 0 | 0 | 0 | 114.5 | E90 D708 R744 | P56-E90 WeakPolarHBondContact O-CA 3.47Å; P56-E90 WeakPolarHBondContact O-CB 3.39Å; P56-E90 PolarHBondContact O-N 2.84Å; P56-D708 VanDerWaalsContact CG-O 3.24Å; P56-D708 WeakPolarHBondContact CG-O 3.35Å; P56-R744 WeakPolarHBondContact CB-O 3.4Å |
| 57 | L | 88.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.6 | -176.5 | 179.4 | 69.4 | 0 | 0 | 0 | 112.1 | Y55 N60 E90 H92 W815 | Y55-L57 VanDerWaalsContact C-N 3.26Å; Y55-L57 WeakPolarHBondContact CD1-O 3.46Å; Y55-L57 HydrophobicContact CE1-CB 4.32Å; Y55-L57 WeakPolarHBondContact CE1-O 3.04Å; Y55-L57 PolarHBondContact O-N 2.81Å; L57-N60 HydrophobicContact CD2-CB 4.04Å; L57-N60 HydrophobicContact CG-CB 4.43Å; L57-E90 WeakPolarHBondContact CA-O 3.46Å; L57-E90 HydrophobicContact CD1-CB 4.07Å; L57-E90 HydrophobicContact CD1-CG 3.98Å; L57-E90 WeakPolarHBondContact CD1-OE1 3.31Å; L57-H92 HydrophobicContact CD1-CB 4.11Å; L57-W815 HydrophobicContact CD2-CH2 4.37Å; L57-W815 HydrophobicContact CD2-CZ2 3.34Å |
| 58 | I | 91.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.3 | 177.4 | -58.1 | -63.2 | 0 | 0 | 0 | 110.4 | Y37 F53 Y55 V88 E90 H92 L106 | Y37-I58 HydrophobicContact CD1-CG2 3.84Å; Y37-I58 HydrophobicContact CD2-CG2 4.45Å; Y37-I58 HydrophobicContact CE1-CG2 4.41Å; Y37-I58 HydrophobicContact CG-CG2 3.87Å; F53-I58 HydrophobicContact CB-CD1 3.73Å; F53-I58 HydrophobicContact CB-CG1 3.77Å; F53-I58 HydrophobicContact CD1-CD1 3.85Å; F53-I58 HydrophobicContact CG-CD1 3.82Å; F53-I58 HydrophobicContact CG-CG1 4.15Å; Y55-I58 HydrophobicContact CD1-CD1 4.18Å; I58-V88 HydrophobicContact CB-CB 4.49Å; I58-V88 HydrophobicContact CB-CG1 3.85Å; I58-V88 HydrophobicContact CG1-CB 4.27Å; I58-V88 HydrophobicContact CG1-CG1 3.64Å; I58-V88 HydrophobicContact CG2-CG1 4.31Å; I58-E90 PolarHBondContact N-O 2.91Å; I58-H92 PolarHBondContact O-N 3.39Å; I58-L106 HydrophobicContact CG2-CD2 3.56Å |
| 59 | G | 89.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | trans | 94.6 | 5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y37 Y61 G62 H92 | Y37-G59 WeakPolarHBondContact OH-CA 3.38Å; G59-Y61 VanDerWaalsContact C-N 3.3Å; G59-Y61 PolarHBondContact O-N 2.87Å; G59-G62 PolarHBondContact O-N 3.15Å; G59-G62 VanDerWaalsContact O-N 3.1Å; G59-H92 PolarHBondContact O-CD2 3.47Å | ||
| 60 | N | 87.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.6 | -178.6 | 51.9 | -41.8 | 0 | 0 | 0 | 114.6 | L57 T98 Q611 | L57-N60 HydrophobicContact CD2-CB 4.04Å; L57-N60 HydrophobicContact CG-CB 4.43Å; N60-T98 PolarHBondContact O-OG1 2.7Å; N60-Q611 PolarHBondContact ND2-O 2.97Å |
| 61 | Y | 85.4 | Confident | 77.7 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 5.2 | 176 | 58.7 | -101 | 0 | 0 | 0 | 114 | G36 Y37 G59 L613 | G36-Y61 WeakPolarHBondContact CA-OH 3.46Å; G36-Y61 PolarHBondContact N-OH 2.95Å; Y37-Y61 AromaticContact CD1-CE1 3.82Å; Y37-Y61 HydrophobicContact CD1-CE1 3.82Å; Y37-Y61 HydrophobicContact CD1-CE2 4.45Å; Y37-Y61 AromaticContact CD1-CZ 3.64Å; Y37-Y61 WeakPolarHBondContact CD1-OH 3.32Å; Y37-Y61 AromaticContact CE1-CD1 3.78Å; Y37-Y61 HydrophobicContact CE1-CD1 3.78Å; Y37-Y61 HydrophobicContact CE1-CD2 4.24Å; Y37-Y61 AromaticContact CE1-CE1 3.21Å; Y37-Y61 HydrophobicContact CE1-CE1 3.21Å; Y37-Y61 AromaticContact CE1-CE2 3.74Å; Y37-Y61 HydrophobicContact CE1-CE2 3.74Å; Y37-Y61 HydrophobicContact CE1-CG 4.26Å; Y37-Y61 AromaticContact CE1-CZ 3.18Å; Y37-Y61 WeakPolarHBondContact CE1-OH 3.43Å; Y37-Y61 AromaticContact CE2-CE2 3.96Å; Y37-Y61 HydrophobicContact CE2-CE2 3.96Å; Y37-Y61 AromaticContact CZ-CD2 3.79Å; Y37-Y61 AromaticContact CZ-CE1 3.79Å; Y37-Y61 AromaticContact CZ-CE2 3.41Å; Y37-Y61 VanDerWaalsContact CZ-CE2 3.41Å; Y37-Y61 AromaticContact CZ-CZ 3.41Å; Y37-Y61 VanDerWaalsContact CZ-CZ 3.41Å; Y37-Y61 PolarHBondContact N-OH 3.24Å; Y37-Y61 WeakPolarHBondContact OH-CD2 3.39Å; Y37-Y61 WeakPolarHBondContact OH-CE2 3.43Å; Y37-Y61 PolarHBondContact OH-N 2.82Å; G59-Y61 VanDerWaalsContact C-N 3.3Å; G59-Y61 PolarHBondContact O-N 2.87Å; Y61-L613 VanDerWaalsContact CD1-O 3.3Å; Y61-L613 WeakPolarHBondContact CD1-O 3.33Å |
| 62 | G | 86.1 | Confident | 76 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 65.8 | -152.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y37 G59 | Y37-G62 WeakPolarHBondContact CE2-O 3.01Å; Y37-G62 PolarHBondContact OH-N 3.41Å; Y37-G62 PolarHBondContact OH-O 3.42Å; G59-G62 PolarHBondContact O-N 3.15Å; G59-G62 VanDerWaalsContact O-N 3.1Å | ||
| 63 | V | 85.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 127.9 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | T38 F76 R103 R104 L106 W109 | T38-V63 HydrophobicContact CG2-CB 4.45Å; T38-V63 HydrophobicContact CG2-CG1 4.07Å; T38-V63 HydrophobicContact CG2-CG2 4.22Å; V63-F76 HydrophobicContact CG1-CE1 4.3Å; V63-F76 HydrophobicContact CG1-CZ 4.09Å; V63-R103 PolarHBondContact O-N 2.74Å; V63-R104 HydrophobicContact CB-CG 3.98Å; V63-R104 PolarHBondContact N-O 3.1Å; V63-R104 VanDerWaalsContact N-O 3.14Å; V63-L106 HydrophobicContact CG2-CB 4.33Å; V63-L106 HydrophobicContact CG2-CD1 4.21Å; V63-W109 HydrophobicContact CB-CB 4.43Å; V63-W109 HydrophobicContact CB-CD2 4.38Å; V63-W109 HydrophobicContact CB-CE3 4.29Å; V63-W109 HydrophobicContact CG1-CD2 3.74Å; V63-W109 HydrophobicContact CG1-CE3 3.86Å; V63-W109 HydrophobicContact CG1-CG 4.07Å; V63-W109 HydrophobicContact CG1-CZ3 4.34Å; V63-W109 HydrophobicContact CG2-CB 3.85Å; V63-W109 HydrophobicContact CG2-CD2 3.84Å; V63-W109 HydrophobicContact CG2-CE3 3.4Å; V63-W109 VanDerWaalsContact CG2-CE3 3.4Å; V63-W109 HydrophobicContact CG2-CG 4.09Å; V63-W109 HydrophobicContact CG2-CZ3 4.19Å |
| 64 | P | 77.4 | Confident | 73.1 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | trans | -74.3 | 166.7 | 177.1 | 33 | -35.8 | 0 | 0 | 0 | 112.1 | E75 F76 | P64-E75 WeakPolarHBondContact CB-OE2 3.41Å; P64-E75 WeakPolarHBondContact CG-OE2 3.22Å; P64-F76 HydrophobicContact CG-CE1 4.5Å; P64-F76 HydrophobicContact CG-CZ 4.34Å | ||
| 65 | L | 68 | Low | 72.1 | Confident | 100 Ų | 100 | 44.5 Ų | 44.5 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | trans | -83.6 | 143.5 | 173.5 | -95.1 | 170 | 0 | 0 | 0 | 110.1 | E67 R103 | L65-E67 PolarHBondContact O-N 2.99Å; L65-E67 VanDerWaalsContact O-N 3.12Å; L65-R103 HydrophobicContact CB-CB 4.45Å; L65-R103 HydrophobicContact CB-CG 4.08Å; L65-R103 HydrophobicContact CD1-CB 3.88Å; L65-R103 HydrophobicContact CD1-CG 3.43Å; L65-R103 VanDerWaalsContact CD1-CG 3.43Å; L65-R103 HydrophobicContact CG-CB 3.6Å; L65-R103 HydrophobicContact CG-CG 3.53Å | ||
| 66 | E | 60.1 | Low | 71.8 | Confident | 98 Ų | 98 | 44.7 Ų | 44.7 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | trans | -61 | 110.8 | 157.8 | -106.5 | 165.8 | 177 | 0 | 0 | 108.4 | F76 | E66-F76 HydrophobicContact CG-CD2 3.95Å; E66-F76 HydrophobicContact CG-CE2 3.89Å | ||
| 67 | E | 53.8 | Low | 72 | Confident | 114 Ų | 114 | 44.5 Ų | 44.5 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | trans | -74 | 127.5 | 161.8 | -72.8 | -175.2 | 172.5 | 0 | 0 | 107.7 | L65 S69 | L65-E67 PolarHBondContact O-N 2.99Å; L65-E67 VanDerWaalsContact O-N 3.12Å; E67-S69 PolarHBondContact O-N 2.82Å | ||
| 68 | D | 47.5 | Very low | 72 | Confident | 173 Ų | 173 | 44.6 Ų | 44.6 | 93% | 0.925 | 25% | 0.252 | S | S | * | . | trans | -63.8 | 35 | 169.8 | -84.7 | -29.8 | 0 | 0 | 0 | 112.3 | G70 | D68-G70 PolarHBondContact O-N 3.08Š| ||
| 69 | S | 49.4 | Very low | 71.6 | Confident | 83 Ų | 83 | 53 Ų | 53 | 58% | 0.58 | 29% | 0.291 | S | S | * | . | trans | -78.7 | 2.4 | -168.5 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | E67 | E67-S69 PolarHBondContact O-N 2.82Š| ||
| 70 | G | 53 | Low | 71.6 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 164.2 | -176.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D68 L72 | D68-G70 PolarHBondContact O-N 3.08Å; G70-L72 PolarHBondContact O-N 3.34Å |
| 71 | E | 56.1 | Low | 71.8 | Confident | 141 Ų | 141 | 56.1 Ų | 56.1 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -58.8 | -10.2 | 178.4 | -65.6 | 173.2 | 153.9 | 0 | 0 | 114.5 | Y172 R198 | E71-Y172 HydrophobicContact CB-CE1 4.41Å; E71-R198 IonicContact OE2-NH1 3.17Å; E71-R198 IonicContact OE2-NH2 2.68Å |
| 72 | L | 59.9 | Low | 72.2 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -133.6 | 124.5 | -175 | -66.2 | 165.8 | 0 | 0 | 0 | 110.3 | G70 Y172 M191 L194 R195 | G70-L72 PolarHBondContact O-N 3.34Å; L72-Y172 HydrophobicContact CD2-CE1 4.34Å; L72-Y172 HydrophobicContact CG-CE1 4.46Å; L72-M191 HydrophobicContact CD2-SD 3.83Å; L72-L194 HydrophobicContact CD1-CD2 3.81Å; L72-L194 HydrophobicContact CD1-CG 3.87Å; L72-L194 HydrophobicContact CD2-CD2 3.5Å; L72-L194 HydrophobicContact CD2-CG 4.34Å; L72-L194 HydrophobicContact CG-CD2 4.26Å; L72-R195 HydrophobicContact CD1-CG 4.45Å |
| 73 | S | 62.5 | Low | 72.6 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | trans | -56.3 | 140 | 167.6 | 175.3 | 0 | 0 | 0 | 0 | 110 | R195 | S73-R195 PolarHBondContact O-NH1 3.34Š| ||
| 74 | S | 66 | Low | 73 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -90.7 | -16.9 | -176.1 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 75 | E | 71.3 | Confident | 73.9 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -119.5 | -21.2 | -167.7 | -65.4 | -178.2 | 167.3 | 0 | 0 | 113.7 | P64 R101 | P64-E75 WeakPolarHBondContact CB-OE2 3.41Å; P64-E75 WeakPolarHBondContact CG-OE2 3.22Å; E75-R101 IonicContact OE1-CZ 3.71Å; E75-R101 IonicContact OE1-NH1 3.96Å; E75-R101 PolarHBondContact OE1-NH1 3.42Å |
| 76 | F | 84.9 | Confident | 75.3 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | trans | -103.1 | 154.8 | 179.7 | -56 | -53.8 | 0 | 0 | 0 | 112.4 | T38 T42 V63 P64 E66 S78 W109 R195 | T38-F76 HydrophobicContact CG2-CE1 4.24Å; T42-F76 HydrophobicContact CG2-CB 4.14Å; T42-F76 HydrophobicContact CG2-CD1 4.04Å; T42-F76 HydrophobicContact CG2-CG 4.27Å; V63-F76 HydrophobicContact CG1-CE1 4.3Å; V63-F76 HydrophobicContact CG1-CZ 4.09Å; P64-F76 HydrophobicContact CG-CE1 4.5Å; P64-F76 HydrophobicContact CG-CZ 4.34Å; E66-F76 HydrophobicContact CG-CD2 3.95Å; E66-F76 HydrophobicContact CG-CE2 3.89Å; F76-S78 VanDerWaalsContact C-N 3.34Å; F76-S78 VanDerWaalsContact CB-O 3.28Å; F76-S78 WeakPolarHBondContact CB-O 3.37Å; F76-W109 HydrophobicContact CE1-CH2 4.4Å; F76-W109 HydrophobicContact CE1-CZ2 4.36Å; F76-R195 PolarHBondContact O-NH1 3.08Å; F76-R195 PolarHBondContact O-NH2 3.41Å | ||
| 77 | E | 88.8 | Confident | 77 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -83.7 | -14.8 | 174.2 | -63.1 | -67.5 | -159.4 | 0 | 0 | 112.4 | E39 T42 K190 M191 N192 R195 A343 | E39-E77 HydrophobicContact CB-CG 4.14Å; T42-E77 PolarHBondContact OG1-N 3.47Å; E77-K190 HydrophobicContact CB-CB 4.4Å; E77-K190 HydrophobicContact CB-CG 4.2Å; E77-K190 HydrophobicContact CG-CD 4.33Å; E77-K190 HydrophobicContact CG-CG 4.42Å; E77-K190 WeakPolarHBondContact OE2-CB 3.24Å; E77-M191 WeakPolarHBondContact O-CG 3.37Å; E77-M191 PolarHBondContact O-N 3.22Å; E77-N192 WeakPolarHBondContact OE2-CB 3.26Å; E77-N192 PolarHBondContact OE2-N 2.93Å; E77-R195 IonicContact OE2-NH2 2.65Å; E77-A343 WeakPolarHBondContact OE1-CB 3.47Å; E77-A343 PolarHBondContact OE1-N 3.47Å |
| 78 | S | 88.5 | Confident | 79 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -163.2 | 177.6 | 169.9 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | T42 F76 T80 W82 | T42-S78 WeakPolarHBondContact O-CB 3.35Å; T42-S78 PolarHBondContact O-N 3.4Å; T42-S78 PolarHBondContact O-OG 2.9Å; F76-S78 VanDerWaalsContact C-N 3.34Å; F76-S78 VanDerWaalsContact CB-O 3.28Å; F76-S78 WeakPolarHBondContact CB-O 3.37Å; S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 PolarHBondContact O-N 3.46Å; S78-T80 PolarHBondContact OG-O 3.11Å; S78-W82 PolarHBondContact OG-NE1 3.18Å |
| 79 | Q | 82.4 | Confident | 81.2 | Confident | 179 Ų | 179 | 41.4 Ų | 41.4 | 84% | 0.836 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -75.7 | -5.3 | -178.7 | -65 | -177.4 | -9.5 | 0 | 0 | 114.5 | ||
| 80 | T | 88.4 | Confident | 83.2 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 37% | 0.368 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -143.2 | 161.6 | -176.1 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | T42 S78 W82 | T42-T80 WeakPolarHBondContact CA-O 3.28Å; T42-T80 WeakPolarHBondContact CG2-O 3.34Å; S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 PolarHBondContact O-N 3.46Å; S78-T80 PolarHBondContact OG-O 3.11Å; T80-W82 HydrophobicContact CG2-CD2 3.89Å; T80-W82 HydrophobicContact CG2-CE3 4.35Å; T80-W82 HydrophobicContact CG2-CG 4.36Å; T80-W82 HydrophobicContact CG2-CH2 4.27Å; T80-W82 HydrophobicContact CG2-CZ2 3.75Å |
| 81 | I | 92.7 | Very high | 84.9 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | trans | -75.4 | 129.3 | 164.8 | -58.7 | 179 | 0 | 0 | 0 | 108.2 | L41 A83 W109 L110 V115 | L41-I81 HydrophobicContact CB-CG1 4.37Å; L41-I81 HydrophobicContact CB-CG2 4.05Å; L41-I81 HydrophobicContact CD2-CG2 4.09Å; L41-I81 CarbonylContact O-C 3.52Å; L41-I81 WeakPolarHBondContact O-CA 3.36Å; L41-I81 WeakPolarHBondContact O-CG2 3.27Å; I81-A83 HydrophobicContact CG2-CB 4.32Å; I81-W109 HydrophobicContact CD1-CD2 3.78Å; I81-W109 HydrophobicContact CD1-CE3 3.92Å; I81-W109 HydrophobicContact CD1-CG 4.42Å; I81-W109 HydrophobicContact CD1-CH2 3.95Å; I81-W109 HydrophobicContact CD1-CZ2 3.78Å; I81-W109 HydrophobicContact CD1-CZ3 3.99Å; I81-W109 HydrophobicContact CG1-CD2 4.42Å; I81-W109 HydrophobicContact CG1-CH2 3.76Å; I81-W109 HydrophobicContact CG1-CZ2 3.47Å; I81-W109 VanDerWaalsContact CG1-CZ2 3.47Å; I81-W109 HydrophobicContact CG1-CZ3 4.31Å; I81-L110 HydrophobicContact CD1-CD2 3.93Å; I81-V115 HydrophobicContact CB-CG2 3.98Å; I81-V115 HydrophobicContact CD1-CG2 4.24Å; I81-V115 HydrophobicContact CG2-CG1 4.37Å; I81-V115 HydrophobicContact CG2-CG2 3.76Å | ||
| 82 | W | 94 | Very high | 86.4 | Confident | 55 Ų | 55 | 31.2 Ų | 31.2 | 21% | 0.208 | 16% | 0.156 | C | C | . | . | trans | -102.9 | -27 | 178.3 | -67.7 | 102.2 | 0 | 0 | 0 | 113.3 | L41 T42 P44 Y47 S78 T80 R84 V164 | L41-W82 PolarHBondContact O-N 2.95Å; T42-W82 VanDerWaalsContact O-CD1 3.31Å; P44-W82 VanDerWaalsContact CA-CD1 3.44Å; P44-W82 HydrophobicContact CB-CD2 4.44Å; P44-W82 HydrophobicContact CB-CG 4.34Å; Y47-W82 WeakPolarHBondContact CA-O 3.39Å; Y47-W82 AromaticContact CD2-CE3 3.75Å; Y47-W82 HydrophobicContact CD2-CE3 3.75Å; Y47-W82 HydrophobicContact CD2-CZ3 4.21Å; Y47-W82 HydrophobicContact CE2-CE3 4.49Å; Y47-W82 HydrophobicContact CG-CE3 4.43Å; S78-W82 PolarHBondContact OG-NE1 3.18Å; T80-W82 HydrophobicContact CG2-CD2 3.89Å; T80-W82 HydrophobicContact CG2-CE3 4.35Å; T80-W82 HydrophobicContact CG2-CG 4.36Å; T80-W82 HydrophobicContact CG2-CH2 4.27Å; T80-W82 HydrophobicContact CG2-CZ2 3.75Å; W82-R84 PolarHBondContact O-N 3.09Å; W82-V164 HydrophobicContact CD2-CG1 4.34Å; W82-V164 HydrophobicContact CE3-CG1 3.85Å; W82-V164 HydrophobicContact CH2-CB 4.28Å; W82-V164 HydrophobicContact CH2-CG1 4.2Å; W82-V164 HydrophobicContact CZ3-CB 4.35Å; W82-V164 HydrophobicContact CZ3-CG1 3.78Å | ||
| 83 | A | 94.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -57.7 | 130.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L41 L51 I81 | L41-A83 HydrophobicContact CD2-CB 3.89Å; L51-A83 HydrophobicContact CB-CB 4.24Å; I81-A83 HydrophobicContact CG2-CB 4.32Å |
| 84 | R | 94.4 | Very high | 87.2 | Confident | 118 Ų | 118 | 37.5 Ų | 37.5 | 45% | 0.445 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -71.4 | -36.1 | -176 | -170.6 | 69.9 | -177.2 | 174.9 | 11 | 111.8 | E24 Q49 L50 W82 | E24-R84 HydrophobicContact CB-CG 4.45Å; E24-R84 IonicContact OE1-NH2 3.4Å; E24-R84 IonicContact OE2-CZ 3.68Å; E24-R84 IonicContact OE2-NE 3.72Å; E24-R84 PolarHBondContact OE2-NE 2.91Å; E24-R84 IonicContact OE2-NH2 2.86Å; E24-R84 PolarHBondContact OE2-NH2 3.18Å; Q49-R84 WeakPolarHBondContact O-CB 3.45Å; Q49-R84 PolarHBondContact O-N 2.86Å; L50-R84 HydrophobicContact CD2-CB 4.08Å; L50-R84 HydrophobicContact CD2-CG 4.27Å; W82-R84 PolarHBondContact O-N 3.09Å |
| 85 | A | 96.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 161 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | L50 L51 T116 I140 | L50-A85 HydrophobicContact CD2-CB 3.59Å; L51-A85 PolarHBondContact N-O 3.21Å; A85-T116 CarbonylContact C-O 3.48Å; A85-T116 WeakPolarHBondContact CA-O 3.28Å; A85-T116 WeakPolarHBondContact CB-O 3.29Å; A85-I140 HydrophobicContact CB-CD1 3.57Å |
| 86 | L | 96 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.6 | 175.2 | 176.8 | 64.6 | 0 | 0 | 0 | 109.9 | L41 L51 F53 V88 L106 L110 T116 C117 L118 | L41-L86 HydrophobicContact CD2-CD1 4.39Å; L51-L86 CarbonylContact O-C 3.42Å; F53-L86 HydrophobicContact CD2-CD1 3.47Å; F53-L86 VanDerWaalsContact CD2-CD1 3.47Å; F53-L86 HydrophobicContact CE2-CD1 3.78Å; L86-V88 HydrophobicContact CD1-CG1 3.88Å; L86-V88 HydrophobicContact CD2-CG1 4.15Å; L86-V88 HydrophobicContact CG-CG1 3.83Å; L86-L106 HydrophobicContact CD2-CD2 4.17Å; L86-L110 HydrophobicContact CD2-CD1 3.96Å; L86-T116 PolarHBondContact N-O 3.37Å; L86-C117 HydrophobicContact CB-CB 4.15Å; L86-C117 HydrophobicContact CD2-CB 4.47Å; L86-C117 CarbonylContact O-C 3.48Å; L86-C117 WeakPolarHBondContact O-CA 3.01Å; L86-L118 PolarHBondContact O-N 3.34Å |
| 87 | I | 96.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.1 | 175.9 | -59.3 | 163 | 0 | 0 | 0 | 108.6 | L5 L28 L50 L51 V52 F53 L118 I121 L126 I140 | L5-I87 HydrophobicContact CD1-CD1 4.07Å; L5-I87 HydrophobicContact CD2-CD1 3.89Å; L28-I87 HydrophobicContact CD2-CD1 4.43Å; L50-I87 HydrophobicContact CB-CD1 4.11Å; L51-I87 PolarHBondContact O-N 3.43Å; V52-I87 WeakPolarHBondContact CA-O 3.44Å; V52-I87 HydrophobicContact CB-CB 4.4Å; V52-I87 HydrophobicContact CG1-CG2 4.36Å; V52-I87 HydrophobicContact CG2-CB 3.97Å; V52-I87 HydrophobicContact CG2-CD1 3.88Å; V52-I87 HydrophobicContact CG2-CG2 4.26Å; F53-I87 PolarHBondContact N-O 3.35Å; I87-L118 WeakPolarHBondContact CA-O 3.25Å; I87-L118 HydrophobicContact CG1-CB 4.34Å; I87-I121 HydrophobicContact CG2-CB 4.5Å; I87-I121 HydrophobicContact CG2-CG1 4.3Å; I87-L126 HydrophobicContact CG2-CD2 4.1Å; I87-I140 HydrophobicContact CG1-CD1 4.24Å |
| 88 | V | 95.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -141.1 | 160.4 | -174.5 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | F53 I58 L86 L91 L118 A119 G120 | F53-V88 HydrophobicContact CB-CG1 4.33Å; I58-V88 HydrophobicContact CB-CB 4.49Å; I58-V88 HydrophobicContact CB-CG1 3.85Å; I58-V88 HydrophobicContact CG1-CB 4.27Å; I58-V88 HydrophobicContact CG1-CG1 3.64Å; I58-V88 HydrophobicContact CG2-CG1 4.31Å; L86-V88 HydrophobicContact CD1-CG1 3.88Å; L86-V88 HydrophobicContact CD2-CG1 4.15Å; L86-V88 HydrophobicContact CG-CG1 3.83Å; V88-L91 HydrophobicContact CG2-CB 4.1Å; V88-L118 PolarHBondContact N-O 3.11Å; V88-A119 HydrophobicContact CG2-CB 3.67Å; V88-A119 VanDerWaalsContact O-CA 3.3Å; V88-A119 WeakPolarHBondContact O-CA 3.38Å; V88-G120 PolarHBondContact O-N 3.09Å | ||
| 89 | S | 93.6 | Very high | 83.7 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -74.5 | -51.1 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 110 | G120 I121 T123 R744 | S89-G120 WeakPolarHBondContact O-CA 3.38Å; S89-G120 PolarHBondContact O-N 3.17Å; S89-I121 WeakPolarHBondContact CA-O 3.1Å; S89-T123 VanDerWaalsContact N-CG2 3.29Å; S89-R744 VanDerWaalsContact CB-NH2 3.33Å; S89-R744 PolarHBondContact OG-NH2 3.33Å |
| 90 | E | 91.3 | Very high | 83 | Confident | 51 Ų | 51 | 42 Ų | 42 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.5 | 177.1 | -162 | -170.1 | 129.4 | 0 | 0 | 109.9 | P56 L57 I58 R819 | P56-E90 WeakPolarHBondContact O-CA 3.47Å; P56-E90 WeakPolarHBondContact O-CB 3.39Å; P56-E90 PolarHBondContact O-N 2.84Å; L57-E90 WeakPolarHBondContact CA-O 3.46Å; L57-E90 HydrophobicContact CD1-CB 4.07Å; L57-E90 HydrophobicContact CD1-CG 3.98Å; L57-E90 WeakPolarHBondContact CD1-OE1 3.31Å; I58-E90 PolarHBondContact N-O 2.91Å; E90-R819 VanDerWaalsContact CD-NH2 3.34Å; E90-R819 IonicContact OE1-CZ 2.96Å; E90-R819 IonicContact OE1-NH1 3.26Å; E90-R819 PolarHBondContact OE1-NH1 2.98Å; E90-R819 IonicContact OE1-NH2 2.72Å; E90-R819 PolarHBondContact OE1-NH2 3.28Å; E90-R819 IonicContact OE2-NH2 3.97Å; E90-R819 PolarHBondContact OE2-NH2 2.89Å; E90-R819 VanDerWaalsContact OE2-NH2 3.12Å |
| 91 | L | 90.6 | Very high | 82.1 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.6 | 172.1 | -174.4 | 72.4 | 0 | 0 | 0 | 108.7 | F18 V88 E93 L106 R107 A119 | F18-L91 HydrophobicContact CB-CD2 3.74Å; F18-L91 HydrophobicContact CD1-CD2 4.28Å; F18-L91 HydrophobicContact CD2-CD2 4.16Å; F18-L91 HydrophobicContact CG-CD2 3.82Å; V88-L91 HydrophobicContact CG2-CB 4.1Å; L91-E93 WeakPolarHBondContact O-CG 3.4Å; L91-E93 PolarHBondContact O-N 2.74Å; L91-E93 VanDerWaalsContact O-N 3.15Å; L91-L106 HydrophobicContact CD1-CD2 3.74Å; L91-L106 HydrophobicContact CD1-CG 4.21Å; L91-R107 HydrophobicContact CD2-CB 4.37Å; L91-A119 HydrophobicContact CB-CB 4.08Å |
| 92 | H | 86.1 | Confident | 80.9 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | trans | -67.8 | 112.1 | 173.4 | -175.5 | 62.9 | 0 | 0 | 0 | 110.7 | L57 I58 G59 W815 | L57-H92 HydrophobicContact CD1-CB 4.11Å; I58-H92 PolarHBondContact O-N 3.39Å; G59-H92 PolarHBondContact O-CD2 3.47Å; H92-W815 AromaticContact CE1-CD1 3.77Å; H92-W815 AromaticContact CE1-NE1 3.87Å; H92-W815 AromaticContact ND1-NE1 3.83Å | ||
| 93 | E | 71.9 | Confident | 79.9 | Confident | 119 Ų | 119 | 46 Ų | 46 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | trans | -83.8 | -13 | -166.4 | -58.6 | -173.1 | 172.1 | 0 | 0 | 115.5 | L91 | L91-E93 WeakPolarHBondContact O-CG 3.4Å; L91-E93 PolarHBondContact O-N 2.74Å; L91-E93 VanDerWaalsContact O-N 3.15Å | ||
| 94 | L | 68.9 | Low | 79.3 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | trans | -79.7 | 131.2 | -170.3 | -66.8 | 171.6 | 0 | 0 | 0 | 113.3 | K102 Y818 | L94-K102 PolarHBondContact O-NZ 3.33Å; L94-Y818 HydrophobicContact CD1-CD1 3.46Å; L94-Y818 VanDerWaalsContact CD1-CD1 3.46Å; L94-Y818 HydrophobicContact CD1-CD2 3.63Å; L94-Y818 HydrophobicContact CD1-CE1 3.95Å; L94-Y818 HydrophobicContact CD1-CE2 4.08Å; L94-Y818 HydrophobicContact CD1-CG 3.34Å | ||
| 95 | D | 65.6 | Low | 79 | Confident | 98 Ų | 98 | 44 Ų | 44 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | trans | -76.7 | -26.7 | 174 | -67.7 | -37.7 | 0 | 0 | 0 | 113 | S105 | D95-S105 WeakPolarHBondContact OD1-CB 3.29Å; D95-S105 PolarHBondContact OD1-OG 3.38Å | ||
| 96 | E | 63.9 | Low | 78.7 | Confident | 108 Ų | 108 | 44 Ų | 44 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -67.7 | 140.3 | -179.3 | -69.4 | -175.4 | -178.4 | 0 | 0 | 113.1 | T98 K102 Y818 | E96-T98 PolarHBondContact O-N 3Å; E96-K102 WeakPolarHBondContact O-CE 3.49Å; E96-K102 PolarHBondContact O-NZ 3.04Å; E96-Y818 PolarHBondContact OE2-OH 3.41Å |
| 97 | P | 56.9 | Low | 78.3 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | trans | -73.5 | 112.3 | -179.7 | 28.3 | -32.1 | 0 | 0 | 0 | 112.4 | K102 | P97-K102 HydrophobicContact CB-CB 3.77Å; P97-K102 HydrophobicContact CB-CD 4.29Å; P97-K102 HydrophobicContact CB-CG 3.92Å | ||
| 98 | T | 65.7 | Low | 77.9 | Confident | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -85.2 | -31.5 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | N60 E96 Q814 W815 Y818 | N60-T98 PolarHBondContact O-OG1 2.7Å; E96-T98 PolarHBondContact O-N 3Å; T98-Q814 HydrophobicContact CG2-CB 4.19Å; T98-W815 HydrophobicContact CG2-CB 4.1Å; T98-Y818 HydrophobicContact CG2-CD2 4Å; T98-Y818 HydrophobicContact CG2-CE2 4.33Å |
| 99 | Y | 72.3 | Confident | 77.7 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -94.3 | 140.4 | 177.1 | 177.2 | -122.5 | 0 | 0 | 0 | 111.4 | R101 K102 S614 E617 | Y99-R101 VanDerWaalsContact C-N 3.32Å; Y99-R101 HydrophobicContact CD1-CB 4.03Å; Y99-R101 HydrophobicContact CE1-CB 3.56Å; Y99-R101 HydrophobicContact CE1-CG 4.43Å; Y99-R101 PolarHBondContact O-N 3.26Å; Y99-K102 HydrophobicContact CD1-CB 4.43Å; Y99-K102 WeakPolarHBondContact O-CB 3.4Å; Y99-K102 PolarHBondContact O-N 2.93Å; Y99-S614 PolarHBondContact OH-OG 3.39Å; Y99-E617 WeakPolarHBondContact CE2-OE1 3.29Å; Y99-E617 VanDerWaalsContact CE2-OE2 3.26Å; Y99-E617 WeakPolarHBondContact CE2-OE2 3.31Å |
| 100 | W | 68.7 | Low | 77.6 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 26% | 0.261 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31 | -170.7 | 68.8 | -88.2 | 0 | 0 | 0 | 114.1 | R103 P646 E647 R648 F649 | W100-R103 PolarHBondContact O-NH1 3.19Å; W100-P646 WeakPolarHBondContact CB-O 3.25Å; W100-E647 VanDerWaalsContact CD2-O 3.3Å; W100-R648 HydrophobicContact CH2-CB 4.47Å; W100-F649 HydrophobicContact CZ2-CB 3.85Å |
| 101 | R | 69.6 | Low | 77.6 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -3 | 169.9 | -73.1 | -172.4 | 169.6 | 177.4 | 2.2 | 114.1 | E75 Y99 R103 | E75-R101 IonicContact OE1-CZ 3.71Å; E75-R101 IonicContact OE1-NH1 3.96Å; E75-R101 PolarHBondContact OE1-NH1 3.42Å; Y99-R101 VanDerWaalsContact C-N 3.32Å; Y99-R101 HydrophobicContact CD1-CB 4.03Å; Y99-R101 HydrophobicContact CE1-CB 3.56Å; Y99-R101 HydrophobicContact CE1-CG 4.43Å; Y99-R101 PolarHBondContact O-N 3.26Å; R101-R103 WeakPolarHBondContact O-CG 3.28Å; R101-R103 PolarHBondContact O-N 3.19Å |
| 102 | K | 66.7 | Low | 77.6 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | trans | -61.9 | 128.9 | 177 | 178.6 | 169.4 | 164.4 | -168.6 | 0 | 108.7 | L94 E96 P97 Y99 | L94-K102 PolarHBondContact O-NZ 3.33Å; E96-K102 WeakPolarHBondContact O-CE 3.49Å; E96-K102 PolarHBondContact O-NZ 3.04Å; P97-K102 HydrophobicContact CB-CB 3.77Å; P97-K102 HydrophobicContact CB-CD 4.29Å; P97-K102 HydrophobicContact CB-CG 3.92Å; Y99-K102 HydrophobicContact CD1-CB 4.43Å; Y99-K102 WeakPolarHBondContact O-CB 3.4Å; Y99-K102 PolarHBondContact O-N 2.93Å | ||
| 103 | R | 73.1 | Confident | 77.8 | Confident | 151 Ų | 151 | 59.9 Ų | 59.9 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | trans | -125.1 | -24.9 | 179.7 | -65.2 | -79.6 | -173.9 | -82.4 | -3 | 111.6 | V63 L65 W100 R101 | V63-R103 PolarHBondContact O-N 2.74Å; L65-R103 HydrophobicContact CB-CB 4.45Å; L65-R103 HydrophobicContact CB-CG 4.08Å; L65-R103 HydrophobicContact CD1-CB 3.88Å; L65-R103 HydrophobicContact CD1-CG 3.43Å; L65-R103 VanDerWaalsContact CD1-CG 3.43Å; L65-R103 HydrophobicContact CG-CB 3.6Å; L65-R103 HydrophobicContact CG-CG 3.53Å; W100-R103 PolarHBondContact O-NH1 3.19Å; R101-R103 WeakPolarHBondContact O-CG 3.28Å; R101-R103 PolarHBondContact O-N 3.19Å | ||
| 104 | R | 81.9 | Confident | 78.9 | Confident | 75 Ų | 75 | 56 Ų | 56 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -142.8 | 158.3 | 168.4 | 62 | -175.7 | 169.9 | -172.6 | -7.9 | 111.4 | V63 Q108 W109 D112 | V63-R104 HydrophobicContact CB-CG 3.98Å; V63-R104 PolarHBondContact N-O 3.1Å; V63-R104 VanDerWaalsContact N-O 3.14Å; R104-Q108 HydrophobicContact CB-CB 4.4Å; R104-W109 HydrophobicContact CG-CB 4.36Å; R104-W109 VanDerWaalsContact NH2-NE1 3.16Å; R104-D112 IonicContact NH1-OD2 3.03Å |
| 105 | S | 87.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | trans | -73.8 | 155.8 | 169.9 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | D95 R107 Q108 W109 | D95-S105 WeakPolarHBondContact OD1-CB 3.29Å; D95-S105 PolarHBondContact OD1-OG 3.38Å; S105-R107 PolarHBondContact O-N 2.82Å; S105-Q108 PolarHBondContact O-N 2.72Å; S105-Q108 WeakPolarHBondContact OG-CB 3.35Å; S105-Q108 PolarHBondContact OG-N 2.83Å; S105-Q108 VanDerWaalsContact OG-N 3.13Å; S105-W109 PolarHBondContact O-N 3.47Å | ||
| 106 | L | 89.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -38.7 | 171.9 | 175.7 | 57.8 | 0 | 0 | 0 | 110.8 | Y37 L41 I58 V63 L86 L91 Q108 W109 L110 | Y37-L106 HydrophobicContact CD2-CD1 4.36Å; Y37-L106 HydrophobicContact CD2-CD2 4.1Å; Y37-L106 HydrophobicContact CE2-CD1 4.34Å; Y37-L106 HydrophobicContact CE2-CD2 4.08Å; L41-L106 HydrophobicContact CD1-CD1 3.92Å; I58-L106 HydrophobicContact CG2-CD2 3.56Å; V63-L106 HydrophobicContact CG2-CB 4.33Å; V63-L106 HydrophobicContact CG2-CD1 4.21Å; L86-L106 HydrophobicContact CD2-CD2 4.17Å; L91-L106 HydrophobicContact CD1-CD2 3.74Å; L91-L106 HydrophobicContact CD1-CG 4.21Å; L106-Q108 PolarHBondContact O-N 2.8Å; L106-W109 HydrophobicContact CD1-CE3 3.68Å; L106-W109 HydrophobicContact CD1-CZ3 4.17Å; L106-W109 PolarHBondContact O-N 2.94Å; L106-L110 HydrophobicContact CD1-CD1 4.01Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 3.97Å; L106-L110 HydrophobicContact CG-CD1 3.87Å; L106-L110 HydrophobicContact CG-CG 4.34Å; L106-L110 WeakPolarHBondContact O-CB 3.47Å; L106-L110 WeakPolarHBondContact O-CD1 3.49Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.33Å |
| 107 | R | 89.2 | Confident | 83.1 | Confident | 97 Ų | 97 | 43.8 Ų | 43.8 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.6 | -50.4 | 174 | 178.2 | -176.1 | 174.6 | 174.2 | -0.6 | 112.2 | L91 S105 W109 L110 Q111 | L91-R107 HydrophobicContact CD2-CB 4.37Å; S105-R107 PolarHBondContact O-N 2.82Å; R107-W109 VanDerWaalsContact C-N 3.35Å; R107-L110 PolarHBondContact O-N 2.85Å; R107-Q111 PolarHBondContact O-N 2.79Å |
| 108 | Q | 88.5 | Confident | 85 | Confident | 71 Ų | 71 | 40.4 Ų | 40.4 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63 | -43.6 | 179.5 | -174.1 | 62.2 | 50.7 | 0 | 0 | 111 | R104 S105 L106 L110 Q111 D112 | R104-Q108 HydrophobicContact CB-CB 4.4Å; S105-Q108 PolarHBondContact O-N 2.72Å; S105-Q108 WeakPolarHBondContact OG-CB 3.35Å; S105-Q108 PolarHBondContact OG-N 2.83Å; S105-Q108 VanDerWaalsContact OG-N 3.13Å; L106-Q108 PolarHBondContact O-N 2.8Å; Q108-L110 PolarHBondContact O-N 2.82Å; Q108-Q111 WeakPolarHBondContact O-CB 3.29Å; Q108-Q111 PolarHBondContact O-N 2.84Å; Q108-D112 PolarHBondContact NE2-OD1 3.45Å; Q108-D112 PolarHBondContact O-N 3.04Å |
| 109 | W | 89.5 | Confident | 86.3 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 178.4 | -176.1 | 31.8 | 0 | 0 | 0 | 112.8 | T38 L41 T42 V63 F76 I81 R104 S105 L106 R107 Q111 D112 S113 | T38-W109 HydrophobicContact CG2-CH2 4.21Å; T38-W109 HydrophobicContact CG2-CZ3 3.82Å; L41-W109 HydrophobicContact CB-CH2 4.16Å; L41-W109 HydrophobicContact CB-CZ3 4.22Å; L41-W109 HydrophobicContact CD1-CE3 4.41Å; L41-W109 HydrophobicContact CD1-CH2 4.49Å; L41-W109 HydrophobicContact CD1-CZ3 3.74Å; T42-W109 HydrophobicContact CG2-CH2 3.77Å; T42-W109 HydrophobicContact CG2-CZ2 3.8Å; V63-W109 HydrophobicContact CB-CB 4.43Å; V63-W109 HydrophobicContact CB-CD2 4.38Å; V63-W109 HydrophobicContact CB-CE3 4.29Å; V63-W109 HydrophobicContact CG1-CD2 3.74Å; V63-W109 HydrophobicContact CG1-CE3 3.86Å; V63-W109 HydrophobicContact CG1-CG 4.07Å; V63-W109 HydrophobicContact CG1-CZ3 4.34Å; V63-W109 HydrophobicContact CG2-CB 3.85Å; V63-W109 HydrophobicContact CG2-CD2 3.84Å; V63-W109 HydrophobicContact CG2-CE3 3.4Å; V63-W109 VanDerWaalsContact CG2-CE3 3.4Å; V63-W109 HydrophobicContact CG2-CG 4.09Å; V63-W109 HydrophobicContact CG2-CZ3 4.19Å; F76-W109 HydrophobicContact CE1-CH2 4.4Å; F76-W109 HydrophobicContact CE1-CZ2 4.36Å; I81-W109 HydrophobicContact CD1-CD2 3.78Å; I81-W109 HydrophobicContact CD1-CE3 3.92Å; I81-W109 HydrophobicContact CD1-CG 4.42Å; I81-W109 HydrophobicContact CD1-CH2 3.95Å; I81-W109 HydrophobicContact CD1-CZ2 3.78Å; I81-W109 HydrophobicContact CD1-CZ3 3.99Å; I81-W109 HydrophobicContact CG1-CD2 4.42Å; I81-W109 HydrophobicContact CG1-CH2 3.76Å; I81-W109 HydrophobicContact CG1-CZ2 3.47Å; I81-W109 VanDerWaalsContact CG1-CZ2 3.47Å; I81-W109 HydrophobicContact CG1-CZ3 4.31Å; R104-W109 HydrophobicContact CG-CB 4.36Å; R104-W109 VanDerWaalsContact NH2-NE1 3.16Å; S105-W109 PolarHBondContact O-N 3.47Å; L106-W109 HydrophobicContact CD1-CE3 3.68Å; L106-W109 HydrophobicContact CD1-CZ3 4.17Å; L106-W109 PolarHBondContact O-N 2.94Å; R107-W109 VanDerWaalsContact C-N 3.35Å; W109-Q111 VanDerWaalsContact C-N 3.3Å; W109-Q111 PolarHBondContact O-N 3.04Å; W109-D112 PolarHBondContact O-N 3.46Å; W109-S113 WeakPolarHBondContact O-CB 3.34Å; W109-S113 PolarHBondContact O-N 3.44Å; W109-S113 PolarHBondContact O-OG 2.93Å |
| 110 | L | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.9 | -68.3 | 165.6 | 0 | 0 | 0 | 111.7 | L41 I81 L86 L106 R107 Q108 G114 V115 C117 | L41-L110 HydrophobicContact CD1-CD2 4.38Å; I81-L110 HydrophobicContact CD1-CD2 3.93Å; L86-L110 HydrophobicContact CD2-CD1 3.96Å; L106-L110 HydrophobicContact CD1-CD1 4.01Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 3.97Å; L106-L110 HydrophobicContact CG-CD1 3.87Å; L106-L110 HydrophobicContact CG-CG 4.34Å; L106-L110 WeakPolarHBondContact O-CB 3.47Å; L106-L110 WeakPolarHBondContact O-CD1 3.49Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.33Å; R107-L110 PolarHBondContact O-N 2.85Å; Q108-L110 PolarHBondContact O-N 2.82Å; L110-G114 PolarHBondContact O-N 3.37Å; L110-G114 VanDerWaalsContact O-N 3.12Å; L110-V115 HydrophobicContact CD2-CB 3.85Å; L110-V115 HydrophobicContact CD2-CG1 3.72Å; L110-V115 PolarHBondContact O-N 2.85Å; L110-C117 HydrophobicContact CD1-CB 3.79Å |
| 111 | Q | 91.3 | Very high | 88.3 | Confident | 99 Ų | 99 | 38.2 Ų | 38.2 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 175.8 | -174 | 173.5 | 1.2 | 0 | 0 | 111.8 | R107 Q108 W109 S113 G114 | R107-Q111 PolarHBondContact O-N 2.79Å; Q108-Q111 WeakPolarHBondContact O-CB 3.29Å; Q108-Q111 PolarHBondContact O-N 2.84Å; W109-Q111 VanDerWaalsContact C-N 3.3Å; W109-Q111 PolarHBondContact O-N 3.04Å; Q111-S113 VanDerWaalsContact C-N 3.29Å; Q111-S113 PolarHBondContact O-N 2.87Å; Q111-G114 PolarHBondContact O-N 2.89Å |
| 112 | D | 89.9 | Confident | 89.4 | Confident | 94 Ų | 94 | 35.8 Ų | 35.8 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 178.8 | -63.2 | -20.3 | 0 | 0 | 0 | 111.9 | R104 Q108 W109 G114 | R104-D112 IonicContact NH1-OD2 3.03Å; Q108-D112 PolarHBondContact NE2-OD1 3.45Å; Q108-D112 PolarHBondContact O-N 3.04Å; W109-D112 PolarHBondContact O-N 3.46Å; D112-G114 VanDerWaalsContact C-N 3.33Å |
| 113 | S | 91.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 32% | 0.315 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.6 | 178.8 | -66.4 | 0 | 0 | 0 | 0 | 114 | W109 Q111 V115 | W109-S113 WeakPolarHBondContact O-CB 3.34Å; W109-S113 PolarHBondContact O-N 3.44Å; W109-S113 PolarHBondContact O-OG 2.93Å; Q111-S113 VanDerWaalsContact C-N 3.29Å; Q111-S113 PolarHBondContact O-N 2.87Å; S113-V115 VanDerWaalsContact C-N 3.34Å; S113-V115 PolarHBondContact O-N 3.49Å |
| 114 | G | 93.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 38% | 0.381 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 25.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L110 Q111 D112 | L110-G114 PolarHBondContact O-N 3.37Å; L110-G114 VanDerWaalsContact O-N 3.12Å; Q111-G114 PolarHBondContact O-N 2.89Å; D112-G114 VanDerWaalsContact C-N 3.33Å |
| 115 | V | 95.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | trans | -103.7 | 132.2 | -176.1 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | A20 I81 L110 S113 | A20-V115 PolarHBondContact N-O 3.22Å; I81-V115 HydrophobicContact CB-CG2 3.98Å; I81-V115 HydrophobicContact CD1-CG2 4.24Å; I81-V115 HydrophobicContact CG2-CG1 4.37Å; I81-V115 HydrophobicContact CG2-CG2 3.76Å; L110-V115 HydrophobicContact CD2-CB 3.85Å; L110-V115 HydrophobicContact CD2-CG1 3.72Å; L110-V115 PolarHBondContact O-N 2.85Å; S113-V115 VanDerWaalsContact C-N 3.34Å; S113-V115 PolarHBondContact O-N 3.49Å | ||
| 116 | T | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139.1 | 177.2 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | C17 Q22 A85 L86 I140 | C17-T116 VanDerWaalsContact SG-CG2 3.53Å; Q22-T116 PolarHBondContact N-OG1 2.99Å; Q22-T116 PolarHBondContact O-OG1 2.82Å; A85-T116 CarbonylContact C-O 3.48Å; A85-T116 WeakPolarHBondContact CA-O 3.28Å; A85-T116 WeakPolarHBondContact CB-O 3.29Å; L86-T116 PolarHBondContact N-O 3.37Å; T116-I140 HydrophobicContact CG2-CD1 4.46Å; T116-I140 HydrophobicContact CG2-CG2 4.24Å |
| 117 | C | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.6 | 169.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | C17 F18 L86 L110 | C17-C117 CarbonylContact C-O 3.56Å; C17-C117 WeakPolarHBondContact CA-O 3.34Å; F18-C117 HydrophobicContact CB-CB 4.26Å; F18-C117 PolarHBondContact N-O 2.7Å; F18-C117 PolarHBondContact O-N 3.22Å; L86-C117 HydrophobicContact CB-CB 4.15Å; L86-C117 HydrophobicContact CD2-CB 4.47Å; L86-C117 CarbonylContact O-C 3.48Å; L86-C117 WeakPolarHBondContact O-CA 3.01Å; L110-C117 HydrophobicContact CD1-CB 3.79Å |
| 118 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113.6 | 172.5 | -176.5 | 68.6 | 0 | 0 | 0 | 109.4 | A3 L5 L86 I87 V88 I121 I140 | A3-L118 HydrophobicContact CB-CD1 3.76Å; L5-L118 HydrophobicContact CB-CD2 3.61Å; L86-L118 PolarHBondContact O-N 3.34Å; I87-L118 WeakPolarHBondContact CA-O 3.25Å; I87-L118 HydrophobicContact CG1-CB 4.34Å; V88-L118 PolarHBondContact N-O 3.11Å; L118-I121 HydrophobicContact CD2-CD1 3.92Å; L118-I121 HydrophobicContact CD2-CG1 3.88Å; L118-I121 HydrophobicContact CG-CD1 4.05Å; L118-I121 HydrophobicContact CG-CG1 3.89Å; L118-I140 HydrophobicContact CB-CD1 4.23Å; L118-I140 HydrophobicContact CD2-CG1 4.49Å |
| 119 | A | 94.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 166.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G15 Y16 F18 V88 L91 | G15-A119 CarbonylContact C-O 3.57Å; G15-A119 VanDerWaalsContact CA-O 3.27Å; G15-A119 WeakPolarHBondContact CA-O 3.43Å; Y16-A119 PolarHBondContact N-O 3.11Å; Y16-A119 PolarHBondContact O-N 3.46Å; F18-A119 HydrophobicContact CD2-CB 3.86Å; F18-A119 HydrophobicContact CE2-CB 3.79Å; V88-A119 HydrophobicContact CG2-CB 3.67Å; V88-A119 VanDerWaalsContact O-CA 3.3Å; V88-A119 WeakPolarHBondContact O-CA 3.38Å; L91-A119 HydrophobicContact CB-CB 4.08Å |
| 120 | G | 91.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 21.6 Ų | 21.6 | 42% | 0.423 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 82.9 | 22.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V88 S89 | V88-G120 PolarHBondContact O-N 3.09Å; S89-G120 WeakPolarHBondContact O-CA 3.38Å; S89-G120 PolarHBondContact O-N 3.17Å |
| 121 | I | 91.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | trans | -100.5 | 141.4 | 177.3 | -52.3 | -54.3 | 0 | 0 | 0 | 109.9 | F13 R14 I87 S89 L118 T123 | F13-I121 HydrophobicContact CB-CD1 4.03Å; F13-I121 HydrophobicContact CB-CG2 3.89Å; F13-I121 HydrophobicContact CD1-CG2 3.73Å; F13-I121 HydrophobicContact CG-CG2 4.08Å; R14-I121 VanDerWaalsContact O-CD1 3.22Å; R14-I121 WeakPolarHBondContact O-CD1 2.92Å; I87-I121 HydrophobicContact CG2-CB 4.5Å; I87-I121 HydrophobicContact CG2-CG1 4.3Å; S89-I121 WeakPolarHBondContact CA-O 3.1Å; L118-I121 HydrophobicContact CD2-CD1 3.92Å; L118-I121 HydrophobicContact CD2-CG1 3.88Å; L118-I121 HydrophobicContact CG-CD1 4.05Å; L118-I121 HydrophobicContact CG-CG1 3.89Å; I121-T123 VanDerWaalsContact C-N 3.26Å; I121-T123 PolarHBondContact O-N 3.35Å | ||
| 122 | D | 93.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | trans | -67.1 | 86.5 | 166.2 | -173.7 | -16.3 | 0 | 0 | 0 | 109.3 | R124 R125 L126 K881 G903 D904 | D122-R124 PolarHBondContact O-N 3.3Å; D122-R124 WeakPolarHBondContact OD1-CB 3.31Å; D122-R124 PolarHBondContact OD1-N 3.18Å; D122-R125 HydrophobicContact CB-CB 4.05Å; D122-R125 WeakPolarHBondContact O-CB 3.34Å; D122-R125 PolarHBondContact O-N 2.98Å; D122-R125 PolarHBondContact OD1-N 3.07Å; D122-R125 VanDerWaalsContact OD1-N 3.11Å; D122-L126 PolarHBondContact O-N 3.06Å; D122-L126 VanDerWaalsContact O-N 3.13Å; D122-K881 IonicContact OD1-NZ 3.68Å; D122-K881 IonicContact OD2-NZ 3.91Å; D122-K881 PolarHBondContact OD2-NZ 3.08Å; D122-G903 VanDerWaalsContact OD2-CA 3.28Å; D122-G903 WeakPolarHBondContact OD2-CA 3.15Å; D122-D904 HydrophobicContact CB-CB 4.24Å; D122-D904 PolarHBondContact OD2-N 3.05Å | ||
| 123 | T | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -28.8 | -177.6 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | V52 F53 T54 S89 I121 L126 T127 R744 | V52-T123 HydrophobicContact CG1-CG2 4.1Å; F53-T123 WeakPolarHBondContact O-CG2 3.21Å; T54-T123 PolarHBondContact O-OG1 3.06Å; S89-T123 VanDerWaalsContact N-CG2 3.29Å; I121-T123 VanDerWaalsContact C-N 3.26Å; I121-T123 PolarHBondContact O-N 3.35Å; T123-L126 PolarHBondContact O-N 3.33Å; T123-T127 WeakPolarHBondContact O-CB 3.24Å; T123-T127 PolarHBondContact O-N 2.8Å; T123-T127 PolarHBondContact O-OG1 3.29Å; T123-R744 PolarHBondContact OG1-NH2 3.1Å |
| 124 | R | 93.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 176.2 | -175.5 | -176.9 | -178.8 | 90.1 | 0.6 | 111.1 | D122 L126 T127 K128 D708 H882 D884 A888 D907 | D122-R124 PolarHBondContact O-N 3.3Å; D122-R124 WeakPolarHBondContact OD1-CB 3.31Å; D122-R124 PolarHBondContact OD1-N 3.18Å; R124-L126 VanDerWaalsContact C-N 3.33Å; R124-L126 PolarHBondContact O-N 3.08Å; R124-T127 PolarHBondContact O-N 3.46Å; R124-K128 HydrophobicContact CG-CD 4.45Å; R124-K128 WeakPolarHBondContact O-CG 3.34Å; R124-K128 PolarHBondContact O-N 3.27Å; R124-D708 WeakPolarHBondContact CB-OD2 3.19Å; R124-D708 WeakPolarHBondContact CD-OD2 3.48Å; R124-D708 VanDerWaalsContact CG-OD2 3.22Å; R124-D708 WeakPolarHBondContact CG-OD2 3.23Å; R124-D708 IonicContact CZ-OD2 2.68Å; R124-D708 IonicContact NE-OD2 2.8Å; R124-D708 IonicContact NH1-OD1 3.3Å; R124-D708 PolarHBondContact NH1-OD1 3Å; R124-D708 IonicContact NH1-OD2 2.8Å; R124-D708 PolarHBondContact NH1-OD2 3.08Å; R124-H882 PolarHBondContact NH2-O 3.3Å; R124-D884 IonicContact NH2-OD2 3.76Å; R124-A888 HydrophobicContact CG-CB 4Å; R124-D907 IonicContact CZ-OD2 2.78Å; R124-D907 IonicContact NE-OD1 3.21Å; R124-D907 PolarHBondContact NE-OD1 3.26Å; R124-D907 IonicContact NE-OD2 2.67Å; R124-D907 PolarHBondContact NE-OD2 3.38Å; R124-D907 IonicContact NH2-OD2 3.2Å; R124-D907 PolarHBondContact NH2-OD2 3.49Å |
| 125 | R | 94.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 21.4 Ų | 21.4 | 22% | 0.223 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 174.9 | -179.5 | 177.9 | 175 | -129.1 | -10.4 | 111.2 | F13 D122 K128 L129 D904 E905 | F13-R125 HydrophobicContact CE1-CB 4.4Å; F13-R125 HydrophobicContact CE1-CG 3.99Å; F13-R125 HydrophobicContact CZ-CG 4.36Å; D122-R125 HydrophobicContact CB-CB 4.05Å; D122-R125 WeakPolarHBondContact O-CB 3.34Å; D122-R125 PolarHBondContact O-N 2.98Å; D122-R125 PolarHBondContact OD1-N 3.07Å; D122-R125 VanDerWaalsContact OD1-N 3.11Å; R125-K128 PolarHBondContact O-N 2.75Å; R125-L129 PolarHBondContact O-N 2.77Å; R125-L129 VanDerWaalsContact O-N 3.13Å; R125-D904 IonicContact NH1-OD2 2.79Å; R125-E905 WeakPolarHBondContact CD-OE2 3.38Å; R125-E905 HydrophobicContact CG-CG 4.33Å; R125-E905 IonicContact NE-OE2 3.22Å; R125-E905 PolarHBondContact NE-OE2 2.76Å |
| 126 | L | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.7 | -177 | 57 | 0 | 0 | 0 | 112.1 | L5 L7 F13 L28 V52 I87 D122 T123 R124 L129 L130 | L5-L126 HydrophobicContact CD2-CD1 4.39Å; L5-L126 HydrophobicContact CD2-CD2 3.8Å; L7-L126 HydrophobicContact CD1-CD1 3.84Å; F13-L126 HydrophobicContact CD2-CD1 4.32Å; F13-L126 HydrophobicContact CE1-CB 4.32Å; F13-L126 HydrophobicContact CE2-CD1 3.83Å; F13-L126 HydrophobicContact CZ-CB 4.32Å; F13-L126 HydrophobicContact CZ-CD1 4.02Å; L28-L126 HydrophobicContact CD2-CD1 3.88Å; L28-L126 HydrophobicContact CD2-CD2 4.17Å; L28-L126 HydrophobicContact CD2-CG 4.4Å; V52-L126 HydrophobicContact CB-CD2 4.48Å; V52-L126 HydrophobicContact CG1-CD2 3.98Å; V52-L126 HydrophobicContact CG2-CD2 3.62Å; V52-L126 HydrophobicContact CG2-CG 4.34Å; I87-L126 HydrophobicContact CG2-CD2 4.1Å; D122-L126 PolarHBondContact O-N 3.06Å; D122-L126 VanDerWaalsContact O-N 3.13Å; T123-L126 PolarHBondContact O-N 3.33Å; R124-L126 VanDerWaalsContact C-N 3.33Å; R124-L126 PolarHBondContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 2.65Å; L126-L130 HydrophobicContact CD1-CD1 4.46Å; L126-L130 HydrophobicContact CD1-CG 4.43Å; L126-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.35Å |
| 127 | T | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.1 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | F30 T54 T123 R124 L129 L130 R131 A888 | F30-T127 HydrophobicContact CB-CG2 4.48Å; F30-T127 HydrophobicContact CD1-CG2 4.12Å; F30-T127 HydrophobicContact CD2-CG2 3.86Å; F30-T127 HydrophobicContact CE1-CG2 4.29Å; F30-T127 HydrophobicContact CE2-CG2 4.06Å; F30-T127 HydrophobicContact CG-CG2 3.89Å; F30-T127 HydrophobicContact CZ-CG2 4.27Å; T54-T127 HydrophobicContact CG2-CG2 4.07Å; T54-T127 VanDerWaalsContact CG2-OG1 3.32Å; T54-T127 WeakPolarHBondContact CG2-OG1 3.49Å; T123-T127 WeakPolarHBondContact O-CB 3.24Å; T123-T127 PolarHBondContact O-N 2.8Å; T123-T127 PolarHBondContact O-OG1 3.29Å; R124-T127 PolarHBondContact O-N 3.46Å; T127-L129 VanDerWaalsContact C-N 3.31Å; T127-L129 PolarHBondContact O-N 2.92Å; T127-L130 PolarHBondContact O-N 2.87Å; T127-R131 VanDerWaalsContact O-CB 3.32Å; T127-R131 WeakPolarHBondContact O-CB 3.23Å; T127-R131 PolarHBondContact O-N 2.85Å; T127-A888 HydrophobicContact CG2-CB 4.12Å |
| 128 | K | 93.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 13% | 0.13 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 174.3 | -72.8 | 166.1 | 62.2 | -169.4 | 0 | 111.2 | R124 R125 R131 E132 A888 E905 D907 | R124-K128 HydrophobicContact CG-CD 4.45Å; R124-K128 WeakPolarHBondContact O-CG 3.34Å; R124-K128 PolarHBondContact O-N 3.27Å; R125-K128 PolarHBondContact O-N 2.75Å; K128-R131 PolarHBondContact O-N 3.09Å; K128-E132 WeakPolarHBondContact O-CB 3.21Å; K128-E132 VanDerWaalsContact O-CG 3.28Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 3.11Å; K128-A888 HydrophobicContact CG-CB 4.12Å; K128-E905 IonicContact NZ-OE1 3.67Å; K128-E905 PolarHBondContact NZ-OE1 3.37Å; K128-D907 IonicContact NZ-OD1 3.3Å; K128-D907 PolarHBondContact NZ-OD1 2.86Å; K128-D907 VanDerWaalsContact NZ-OD1 3.08Å |
| 129 | L | 94 | Very high | 93.3 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 11% | 0.11 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 178.7 | -175.8 | 69 | 0 | 0 | 0 | 111.6 | L7 H11 F13 R125 L126 T127 R131 E132 E133 | L7-L129 HydrophobicContact CD1-CD2 3.4Å; L7-L129 VanDerWaalsContact CD1-CD2 3.4Å; H11-L129 HydrophobicContact CB-CD2 4.09Å; F13-L129 HydrophobicContact CE2-CD2 4.3Å; F13-L129 HydrophobicContact CZ-CD2 4.37Å; R125-L129 PolarHBondContact O-N 2.77Å; R125-L129 VanDerWaalsContact O-N 3.13Å; L126-L129 PolarHBondContact O-N 2.65Å; T127-L129 VanDerWaalsContact C-N 3.31Å; T127-L129 PolarHBondContact O-N 2.92Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.16Å; L129-E132 PolarHBondContact O-N 2.97Å; L129-E132 VanDerWaalsContact O-N 3.14Å; L129-E133 HydrophobicContact CD1-CG 3.89Å; L129-E133 PolarHBondContact O-N 3.4Å |
| 130 | L | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -36 | 177.9 | -67.9 | 173.5 | 0 | 0 | 0 | 112.6 | L28 F30 V52 L126 T127 G134 M136 | L28-L130 HydrophobicContact CB-CD1 4.12Å; L28-L130 HydrophobicContact CB-CD2 3.73Å; L28-L130 HydrophobicContact CD2-CD1 4.28Å; L28-L130 HydrophobicContact CD2-CD2 4.28Å; F30-L130 HydrophobicContact CB-CD1 4.38Å; F30-L130 HydrophobicContact CD1-CB 3.88Å; F30-L130 HydrophobicContact CD1-CD1 4.09Å; F30-L130 HydrophobicContact CE1-CB 4.2Å; V52-L130 HydrophobicContact CG2-CD1 4.4Å; L126-L130 HydrophobicContact CD1-CD1 4.46Å; L126-L130 HydrophobicContact CD1-CG 4.43Å; L126-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.35Å; T127-L130 PolarHBondContact O-N 2.87Å; L130-G134 CarbonylContact O-C 3.45Å; L130-G134 WeakPolarHBondContact O-CA 3.23Å; L130-G134 PolarHBondContact O-N 2.9Å; L130-M136 HydrophobicContact CD2-CG 4.13Å |
| 131 | R | 91.7 | Very high | 93.7 | Very high | 24 Ų | 24 | 21.4 Ų | 21.4 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 173.3 | 176.5 | -163.2 | 68.4 | -161.1 | 3.6 | 112.1 | T127 K128 L129 K273 F274 A888 E889 W890 | T127-R131 VanDerWaalsContact O-CB 3.32Å; T127-R131 WeakPolarHBondContact O-CB 3.23Å; T127-R131 PolarHBondContact O-N 2.85Å; K128-R131 PolarHBondContact O-N 3.09Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.16Å; R131-K273 WeakPolarHBondContact O-CE 3.35Å; R131-K273 PolarHBondContact O-NZ 3.3Å; R131-F274 HydrophobicContact CG-CD1 4.41Å; R131-F274 HydrophobicContact CG-CE1 4.11Å; R131-A888 PolarHBondContact NH1-O 2.66Å; R131-E889 WeakPolarHBondContact CD-O 3.49Å; R131-E889 WeakPolarHBondContact CG-O 3.37Å; R131-W890 PolarHBondContact NH1-O 2.94Å |
| 132 | E | 91.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 21.7 Ų | 21.7 | 44% | 0.439 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -80.7 | -37.4 | -174.5 | -76.2 | 167.5 | -159.4 | 0 | 0 | 113.6 | K128 L129 K273 | K128-E132 WeakPolarHBondContact O-CB 3.21Å; K128-E132 VanDerWaalsContact O-CG 3.28Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 3.11Å; L129-E132 PolarHBondContact O-N 2.97Å; L129-E132 VanDerWaalsContact O-N 3.14Å; E132-K273 VanDerWaalsContact C-NZ 3.29Å; E132-K273 WeakPolarHBondContact O-CE 3.44Å; E132-K273 PolarHBondContact O-NZ 3.33Å |
| 133 | E | 92.3 | Very high | 93.5 | Very high | 129 Ų | 129 | 26.4 Ų | 26.4 | 60% | 0.603 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -101.8 | -19.5 | -179 | -60.4 | -56.1 | 142.8 | 0 | 0 | 112.5 | L129 M136 | L129-E133 HydrophobicContact CD1-CG 3.89Å; L129-E133 PolarHBondContact O-N 3.4Å; E133-M136 HydrophobicContact CB-CE 3.54Å; E133-M136 HydrophobicContact CG-CE 4.38Å |
| 134 | G | 91.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | 96.5 | 170.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L130 M136 K273 | L130-G134 CarbonylContact O-C 3.45Å; L130-G134 WeakPolarHBondContact O-CA 3.23Å; L130-G134 PolarHBondContact O-N 2.9Å; G134-M136 PolarHBondContact O-N 2.87Å; G134-K273 CarbonylContact C-O 3.56Å; G134-K273 WeakPolarHBondContact CA-O 3.21Å | ||
| 135 | S | 90.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -62.2 | 134.3 | 171.8 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | K273 F274 | S135-K273 PolarHBondContact N-O 3.08Å; S135-F274 WeakPolarHBondContact OG-CA 3.44Å; S135-F274 PolarHBondContact OG-O 2.66Å |
| 136 | M | 93.9 | Very high | 93 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | trans | -141.8 | 167.3 | -173.3 | 65.8 | -179.1 | 71.6 | 0 | 0 | 111.5 | L7 D9 L28 L130 E133 G134 | L7-M136 HydrophobicContact CB-SD 3.9Å; L7-M136 HydrophobicContact CD1-SD 4.15Å; D9-M136 HydrophobicContact CB-SD 4.27Å; L28-M136 PolarHBondContact N-O 2.63Å; L130-M136 HydrophobicContact CD2-CG 4.13Å; E133-M136 HydrophobicContact CB-CE 3.54Å; E133-M136 HydrophobicContact CG-CE 4.38Å; G134-M136 PolarHBondContact O-N 2.87Å | ||
| 137 | S | 94.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 40 Ų | 40 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 142.4 | 173.7 | -158.4 | 0 | 0 | 0 | 0 | 110.6 | E8 C153 | E8-S137 WeakPolarHBondContact CB-O 3.43Å; E8-S137 PolarHBondContact N-O 3.11Å; E8-S137 PolarHBondContact OE2-N 3.19Å; S137-C153 PolarHBondContact OG-N 2.56Å; S137-C153 VanDerWaalsContact OG-N 3.09Å; S137-C153 PolarHBondContact OG-O 3.01Å |
| 138 | G | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 165.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y6 V25 G26 L50 | Y6-G138 CarbonylContact O-C 3.51Å; Y6-G138 WeakPolarHBondContact O-CA 3.4Å; V25-G138 WeakPolarHBondContact CA-O 3.47Å; G26-G138 PolarHBondContact N-O 3.07Å; G26-G138 PolarHBondContact O-N 2.86Å; G26-G138 VanDerWaalsContact O-O 3.11Å; L50-G138 WeakPolarHBondContact CD1-O 3.26Å |
| 139 | K | 95.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.5 | 179.3 | 62.2 | -173.3 | 176.1 | 178.8 | 0 | 112 | L5 Y6 E24 V25 I141 P147 Y150 F152 | L5-K139 CarbonylContact C-O 3.45Å; L5-K139 WeakPolarHBondContact CA-O 3.42Å; Y6-K139 HydrophobicContact CD2-CG 4.43Å; Y6-K139 HydrophobicContact CG-CG 4.47Å; Y6-K139 PolarHBondContact N-O 3.48Å; Y6-K139 PolarHBondContact O-N 3.47Å; E24-K139 CarbonylContact O-C 3.54Å; E24-K139 WeakPolarHBondContact O-CA 3.23Å; V25-K139 HydrophobicContact CB-CB 4.49Å; V25-K139 HydrophobicContact CG2-CB 3.89Å; K139-I141 HydrophobicContact CB-CD1 4.32Å; K139-I141 HydrophobicContact CD-CD1 4.15Å; K139-I141 HydrophobicContact CD-CG1 4.43Å; K139-I141 HydrophobicContact CG-CD1 4.18Å; K139-I141 HydrophobicContact CG-CG1 4.19Å; K139-P147 PolarHBondContact NZ-O 3.08Å; K139-Y150 VanDerWaalsContact CD-O 3.3Å; K139-Y150 WeakPolarHBondContact CD-O 3.31Å; K139-Y150 PolarHBondContact NZ-O 3.08Å; K139-F152 HydrophobicContact CD-CE1 4.12Å; K139-F152 HydrophobicContact CD-CZ 4.22Å; K139-F152 HydrophobicContact CG-CE1 3.94Å; K139-F152 HydrophobicContact CG-CZ 4.31Å |
| 140 | I | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.2 | 170.6 | -61.5 | 171.9 | 0 | 0 | 0 | 106.4 | A3 S4 L5 S23 E24 A85 I87 T116 L118 | A3-I140 HydrophobicContact CB-CG2 4.22Å; S4-I140 CarbonylContact O-C 3.57Å; S4-I140 WeakPolarHBondContact O-CA 3.49Å; L5-I140 HydrophobicContact CD1-CG1 3.94Å; S23-I140 CarbonylContact C-O 3.57Å; S23-I140 WeakPolarHBondContact CA-O 3.19Å; S23-I140 WeakPolarHBondContact CB-O 3.36Å; E24-I140 PolarHBondContact N-O 3.45Å; E24-I140 PolarHBondContact O-N 2.87Å; A85-I140 HydrophobicContact CB-CD1 3.57Å; I87-I140 HydrophobicContact CG1-CD1 4.24Å; T116-I140 HydrophobicContact CG2-CD1 4.46Å; T116-I140 HydrophobicContact CG2-CG2 4.24Å; L118-I140 HydrophobicContact CB-CD1 4.23Å; L118-I140 HydrophobicContact CD2-CG1 4.49Å |
| 141 | I | 96.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.1 | 178.1 | -53 | -63.5 | 0 | 0 | 0 | 108.4 | A3 S4 Y6 S23 K139 D145 P147 Y150 | A3-I141 CarbonylContact C-O 3.57Å; A3-I141 VanDerWaalsContact CA-O 3.31Å; A3-I141 WeakPolarHBondContact CA-O 3.49Å; S4-I141 PolarHBondContact N-O 2.68Å; S4-I141 PolarHBondContact O-N 2.9Å; Y6-I141 HydrophobicContact CD2-CB 4.2Å; Y6-I141 HydrophobicContact CD2-CG1 3.67Å; Y6-I141 HydrophobicContact CE2-CB 3.87Å; Y6-I141 HydrophobicContact CE2-CG1 3.76Å; S23-I141 WeakPolarHBondContact OG-CA 3.37Å; K139-I141 HydrophobicContact CB-CD1 4.32Å; K139-I141 HydrophobicContact CD-CD1 4.15Å; K139-I141 HydrophobicContact CD-CG1 4.43Å; K139-I141 HydrophobicContact CG-CD1 4.18Å; K139-I141 HydrophobicContact CG-CG1 4.19Å; I141-D145 HydrophobicContact CG2-CB 3.83Å; I141-D145 WeakPolarHBondContact CG2-O 3.4Å; I141-P147 HydrophobicContact CG1-CB 4.16Å; I141-P147 HydrophobicContact CG1-CG 4.48Å; I141-P147 HydrophobicContact CG2-CG 4.09Å; I141-Y150 HydrophobicContact CD1-CD2 3.64Å; I141-Y150 HydrophobicContact CD1-CE2 4.34Å; I141-Y150 HydrophobicContact CD1-CG 3.8Å |
| 142 | V | 94 | Very high | 92.2 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 149.7 | 173.5 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | M1 A3 S23 F144 D145 | M1-V142 HydrophobicContact SD-CB 4.04Å; M1-V142 HydrophobicContact SD-CG1 4.41Å; A3-V142 HydrophobicContact CB-CG1 4.36Å; S23-V142 PolarHBondContact OG-N 3.13Å; S23-V142 VanDerWaalsContact OG-N 3.1Å; V142-F144 PolarHBondContact O-N 3.42Å; V142-D145 HydrophobicContact CG2-CB 4.19Å; V142-D145 VanDerWaalsContact CG2-OD2 3.23Å; V142-D145 WeakPolarHBondContact CG2-OD2 3.36Å; V142-D145 PolarHBondContact O-N 3.24Å |
| 143 | E | 86.7 | Confident | 91.9 | Very high | 106 Ų | 106 | 56.8 Ų | 56.8 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -29.2 | -167 | -171.5 | 174.3 | -176.7 | 0 | 0 | 116.7 | Q2 | Q2-E143 HydrophobicContact CB-CB 4.33Å; Q2-E143 HydrophobicContact CB-CG 4.48Å; Q2-E143 WeakPolarHBondContact O-CB 3.17Å; Q2-E143 PolarHBondContact O-N 3.13Å; Q2-E143 VanDerWaalsContact O-N 3.09Å |
| 144 | F | 87.8 | Confident | 91.8 | Very high | 159 Ų | 159 | 53.5 Ų | 53.5 | 70% | 0.697 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -5.2 | -176.4 | -56 | -66.7 | 0 | 0 | 0 | 115 | V142 | V142-F144 PolarHBondContact O-N 3.42Š|
| 145 | D | 91.9 | Very high | 91.7 | Very high | 60 Ų | 60 | 54 Ų | 54 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -89.4 | 143.1 | 179.1 | -73.5 | -9.5 | 0 | 0 | 0 | 110.7 | S23 I141 V142 P147 Y150 | S23-D145 VanDerWaalsContact CB-OD2 3.28Å; S23-D145 WeakPolarHBondContact CB-OD2 3.32Å; S23-D145 WeakPolarHBondContact OG-CB 3.21Å; S23-D145 PolarHBondContact OG-OD2 3.33Å; I141-D145 HydrophobicContact CG2-CB 3.83Å; I141-D145 WeakPolarHBondContact CG2-O 3.4Å; V142-D145 HydrophobicContact CG2-CB 4.19Å; V142-D145 VanDerWaalsContact CG2-OD2 3.23Å; V142-D145 WeakPolarHBondContact CG2-OD2 3.36Å; V142-D145 PolarHBondContact O-N 3.24Å; D145-P147 WeakPolarHBondContact O-CD 3.45Å; D145-Y150 HydrophobicContact CB-CE2 4.17Å; D145-Y150 PolarHBondContact OD2-OH 2.88Å |
| 146 | D | 90.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | trans | -77.1 | 116.8 | 174.5 | -177.3 | -12.7 | 0 | 0 | 0 | 109.7 | T148 A149 | D146-T148 PolarHBondContact O-N 3.07Å; D146-T148 WeakPolarHBondContact OD1-CB 3.49Å; D146-T148 PolarHBondContact OD1-N 3.12Å; D146-T148 PolarHBondContact OD1-OG1 2.97Å; D146-T148 PolarHBondContact OD2-OG1 3.4Å; D146-A149 WeakPolarHBondContact O-CB 3.49Å; D146-A149 PolarHBondContact O-N 3.39Å | ||
| 147 | P | 88.2 | Confident | 91.3 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -56.2 | -26.4 | 178.4 | -22.7 | 31.8 | 0 | 0 | 0 | 113.7 | Y6 K139 I141 D145 A149 Y150 | Y6-P147 HydrophobicContact CE1-CG 4.49Å; Y6-P147 HydrophobicContact CE2-CB 4.19Å; Y6-P147 HydrophobicContact CE2-CG 4.01Å; K139-P147 PolarHBondContact NZ-O 3.08Å; I141-P147 HydrophobicContact CG1-CB 4.16Å; I141-P147 HydrophobicContact CG1-CG 4.48Å; I141-P147 HydrophobicContact CG2-CG 4.09Å; D145-P147 WeakPolarHBondContact O-CD 3.45Å; P147-A149 VanDerWaalsContact C-N 3.29Å; P147-A149 PolarHBondContact O-N 2.93Å; P147-Y150 PolarHBondContact O-N 3.47Å |
| 148 | T | 89 | Confident | 91.1 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -75.8 | -15.6 | -179 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | D146 Y150 | D146-T148 PolarHBondContact O-N 3.07Å; D146-T148 WeakPolarHBondContact OD1-CB 3.49Å; D146-T148 PolarHBondContact OD1-N 3.12Å; D146-T148 PolarHBondContact OD1-OG1 2.97Å; D146-T148 PolarHBondContact OD2-OG1 3.4Å; T148-Y150 PolarHBondContact O-N 2.8Å |
| 149 | A | 91.7 | Very high | 90.9 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 63% | 0.628 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -73.8 | -13.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D146 P147 | D146-A149 WeakPolarHBondContact O-CB 3.49Å; D146-A149 PolarHBondContact O-N 3.39Å; P147-A149 VanDerWaalsContact C-N 3.29Å; P147-A149 PolarHBondContact O-N 2.93Å |
| 150 | Y | 91.4 | Very high | 90.9 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -116.6 | 105.9 | -176.7 | -62.6 | -97.2 | 0 | 0 | 0 | 110.1 | S23 V25 K139 I141 D145 P147 T148 | S23-Y150 VanDerWaalsContact CB-CZ 3.41Å; V25-Y150 HydrophobicContact CG2-CD1 4.18Å; K139-Y150 VanDerWaalsContact CD-O 3.3Å; K139-Y150 WeakPolarHBondContact CD-O 3.31Å; K139-Y150 PolarHBondContact NZ-O 3.08Å; I141-Y150 HydrophobicContact CD1-CD2 3.64Å; I141-Y150 HydrophobicContact CD1-CE2 4.34Å; I141-Y150 HydrophobicContact CD1-CG 3.8Å; D145-Y150 HydrophobicContact CB-CE2 4.17Å; D145-Y150 PolarHBondContact OD2-OH 2.88Å; P147-Y150 PolarHBondContact O-N 3.47Å; T148-Y150 PolarHBondContact O-N 2.8Å |
| 151 | N | 92.7 | Very high | 90.8 | Very high | 133 Ų | 133 | 62.6 Ų | 62.6 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | trans | -80.6 | 142.1 | 176 | -68.4 | -40.2 | 0 | 0 | 0 | 110.7 | V25 | V25-N151 WeakPolarHBondContact CG1-O 3.28Š| ||
| 152 | F | 93 | Very high | 90.6 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 31% | 0.307 | 35% | 0.351 | S | S | . | . | trans | -58.7 | 145.7 | 166.8 | -64.8 | -71.5 | 0 | 0 | 0 | 110 | L7 E8 K139 | L7-F152 VanDerWaalsContact C-CZ 3.5Å; L7-F152 WeakPolarHBondContact O-CZ 3.38Å; E8-F152 HydrophobicContact CB-CD1 4.21Å; E8-F152 HydrophobicContact CB-CE1 4.31Å; E8-F152 HydrophobicContact CB-CG 4.33Å; E8-F152 HydrophobicContact CG-CG 4.48Å; K139-F152 HydrophobicContact CD-CE1 4.12Å; K139-F152 HydrophobicContact CD-CZ 4.22Å; K139-F152 HydrophobicContact CG-CE1 3.94Å; K139-F152 HydrophobicContact CG-CZ 4.31Å | ||
| 153 | C | 86.1 | Confident | 90.6 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 43% | 0.432 | 37% | 0.369 | S | S | . | . | trans | -138.1 | 131.1 | -175.2 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | V25 S137 I155 | V25-C153 HydrophobicContact CG1-CB 4.2Å; S137-C153 PolarHBondContact OG-N 2.56Å; S137-C153 VanDerWaalsContact OG-N 3.09Å; S137-C153 PolarHBondContact OG-O 3.01Å; C153-I155 PolarHBondContact O-N 2.69Å | ||
| 154 | D | 89 | Confident | 90.9 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | trans | -89.2 | 98 | 168.2 | 178.9 | 19.7 | 0 | 0 | 0 | 109.3 | N156 Q157 R271 | D154-N156 PolarHBondContact O-N 2.66Å; D154-N156 WeakPolarHBondContact OD1-CB 3.3Å; D154-N156 PolarHBondContact OD1-N 2.85Å; D154-N156 PolarHBondContact OD1-ND2 3.21Å; D154-Q157 HydrophobicContact CB-CG 4.23Å; D154-Q157 PolarHBondContact O-N 2.87Å; D154-Q157 PolarHBondContact OD2-NE2 2.91Å; D154-R271 IonicContact OD1-NH1 3.55Å | ||
| 155 | I | 90.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -62.3 | -23.6 | -179.4 | 64.1 | 174.4 | 0 | 0 | 0 | 112.5 | E27 Q49 C153 Q157 L158 L160 | E27-I155 HydrophobicContact CB-CD1 3.83Å; E27-I155 HydrophobicContact CB-CG1 4.15Å; Q49-I155 HydrophobicContact CG-CD1 3.85Å; C153-I155 PolarHBondContact O-N 2.69Å; I155-Q157 PolarHBondContact O-N 2.85Å; I155-L158 WeakPolarHBondContact O-CB 3.32Å; I155-L158 PolarHBondContact O-N 3.2Å; I155-L158 VanDerWaalsContact O-N 3.12Å; I155-L160 HydrophobicContact CB-CD2 4.38Å; I155-L160 HydrophobicContact CD1-CD1 4.22Å; I155-L160 HydrophobicContact CG1-CD1 4.28Å; I155-L160 WeakPolarHBondContact O-CD2 3.46Å |
| 156 | N | 88.7 | Confident | 91 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -72.4 | -7.4 | -178 | -64.8 | -74.8 | 0 | 0 | 0 | 113.3 | E27 D154 L158 R271 | E27-N156 PolarHBondContact OE1-ND2 3.3Å; E27-N156 PolarHBondContact OE2-ND2 3.4Å; D154-N156 PolarHBondContact O-N 2.66Å; D154-N156 WeakPolarHBondContact OD1-CB 3.3Å; D154-N156 PolarHBondContact OD1-N 2.85Å; D154-N156 PolarHBondContact OD1-ND2 3.21Å; N156-L158 PolarHBondContact O-N 3.28Å; N156-R271 PolarHBondContact ND2-NH2 2.99Å |
| 157 | Q | 88 | Confident | 90.8 | Very high | 124 Ų | 124 | 58.3 Ų | 58.3 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -70.8 | -23.1 | 170.2 | -63.9 | -56.9 | -33.8 | 0 | 0 | 112.8 | D154 I155 K232 | D154-Q157 HydrophobicContact CB-CG 4.23Å; D154-Q157 PolarHBondContact O-N 2.87Å; D154-Q157 PolarHBondContact OD2-NE2 2.91Å; I155-Q157 PolarHBondContact O-N 2.85Å; Q157-K232 PolarHBondContact O-NZ 3.47Å |
| 158 | L | 89.9 | Confident | 90.7 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -88 | 157 | 179.9 | -57.1 | 174.1 | 0 | 0 | 0 | 111.3 | I155 N156 L160 Y163 | I155-L158 WeakPolarHBondContact O-CB 3.32Å; I155-L158 PolarHBondContact O-N 3.2Å; I155-L158 VanDerWaalsContact O-N 3.12Å; N156-L158 PolarHBondContact O-N 3.28Å; L158-L160 HydrophobicContact CB-CD2 4.02Å; L158-L160 PolarHBondContact O-N 3.41Å; L158-L160 VanDerWaalsContact O-N 3.16Å; L158-Y163 HydrophobicContact CB-CE2 4.42Å |
| 159 | N | 92 | Very high | 90.7 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -80.6 | 88.9 | 165.7 | 179.7 | -13.8 | 0 | 0 | 0 | 108.7 | V161 S162 Y163 W209 K232 | N159-V161 VanDerWaalsContact C-N 3.26Å; N159-V161 PolarHBondContact O-N 2.89Å; N159-V161 WeakPolarHBondContact OD1-CB 3.36Å; N159-V161 PolarHBondContact OD1-N 3.1Å; N159-S162 PolarHBondContact O-N 3.27Å; N159-S162 PolarHBondContact O-OG 3.22Å; N159-S162 PolarHBondContact OD1-N 2.84Å; N159-Y163 VanDerWaalsContact O-CD2 3.32Å; N159-Y163 WeakPolarHBondContact O-CD2 3.35Å; N159-W209 WeakPolarHBondContact ND2-CH2 3.36Å; N159-W209 WeakPolarHBondContact ND2-CZ2 3.45Å; N159-K232 HydrophobicContact CB-CB 4.17Å; N159-K232 PolarHBondContact ND2-O 2.93Å | ||
| 160 | L | 94.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31.5 | -176 | -60.8 | -174.9 | 0 | 0 | 0 | 113 | Y47 I155 L158 S162 Y163 P227 | Y47-L160 HydrophobicContact CD1-CB 4.45Å; Y47-L160 HydrophobicContact CD1-CD2 4.05Å; Y47-L160 HydrophobicContact CE1-CD2 4.1Å; I155-L160 HydrophobicContact CB-CD2 4.38Å; I155-L160 HydrophobicContact CD1-CD1 4.22Å; I155-L160 HydrophobicContact CG1-CD1 4.28Å; I155-L160 WeakPolarHBondContact O-CD2 3.46Å; L158-L160 HydrophobicContact CB-CD2 4.02Å; L158-L160 PolarHBondContact O-N 3.41Å; L158-L160 VanDerWaalsContact O-N 3.16Å; L160-S162 PolarHBondContact O-N 3.22Å; L160-Y163 WeakPolarHBondContact O-CB 3.3Å; L160-Y163 PolarHBondContact O-N 3.42Å; L160-P227 HydrophobicContact CB-CB 3.9Å; L160-P227 HydrophobicContact CB-CG 3.69Å; L160-P227 HydrophobicContact CD1-CB 4.09Å |
| 161 | V | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55 | -38.8 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | N159 Y163 V164 S165 C187 W209 C233 L256 | N159-V161 VanDerWaalsContact C-N 3.26Å; N159-V161 PolarHBondContact O-N 2.89Å; N159-V161 WeakPolarHBondContact OD1-CB 3.36Å; N159-V161 PolarHBondContact OD1-N 3.1Å; V161-Y163 PolarHBondContact O-N 3.48Å; V161-Y163 VanDerWaalsContact O-N 3.1Å; V161-V164 PolarHBondContact O-N 3.11Å; V161-S165 VanDerWaalsContact O-CB 3.27Å; V161-S165 WeakPolarHBondContact O-CB 3.48Å; V161-S165 PolarHBondContact O-N 3.25Å; V161-C187 VanDerWaalsContact CG1-CA 3.5Å; V161-C187 HydrophobicContact CG1-CB 3.89Å; V161-C187 WeakPolarHBondContact CG1-O 3.42Å; V161-C187 HydrophobicContact CG2-CB 4.3Å; V161-C187 WeakPolarHBondContact CG2-O 3.42Å; V161-W209 HydrophobicContact CG1-CB 3.47Å; V161-W209 VanDerWaalsContact CG1-CB 3.47Å; V161-W209 HydrophobicContact CG1-CD2 3.96Å; V161-W209 HydrophobicContact CG1-CE3 4.49Å; V161-W209 HydrophobicContact CG1-CG 3.48Å; V161-W209 VanDerWaalsContact CG1-CG 3.48Å; V161-C233 VanDerWaalsContact CG2-SG 3.58Å; V161-L256 HydrophobicContact CG2-CD2 3.31Å |
| 162 | S | 92.8 | Very high | 90.3 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -15 | 180 | 71.4 | 0 | 0 | 0 | 0 | 114.8 | N159 L160 | N159-S162 PolarHBondContact O-N 3.27Å; N159-S162 PolarHBondContact O-OG 3.22Å; N159-S162 PolarHBondContact OD1-N 2.84Å; L160-S162 PolarHBondContact O-N 3.22Å |
| 163 | Y | 92.8 | Very high | 89.7 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 45% | 0.447 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -94.4 | -24.1 | 178 | -65.5 | -93.2 | 0 | 0 | 0 | 113.5 | Y47 L158 N159 L160 V161 | Y47-Y163 HydrophobicContact CE1-CD1 4.19Å; Y47-Y163 HydrophobicContact CE1-CD2 4.06Å; Y47-Y163 AromaticContact CE1-CG 3.67Å; Y47-Y163 HydrophobicContact CE1-CG 3.67Å; Y47-Y163 AromaticContact CZ-CD1 3.95Å; Y47-Y163 AromaticContact CZ-CG 3.85Å; Y47-Y163 WeakPolarHBondContact OH-CD1 3.16Å; L158-Y163 HydrophobicContact CB-CE2 4.42Å; N159-Y163 VanDerWaalsContact O-CD2 3.32Å; N159-Y163 WeakPolarHBondContact O-CD2 3.35Å; L160-Y163 WeakPolarHBondContact O-CB 3.3Å; L160-Y163 PolarHBondContact O-N 3.42Å; V161-Y163 PolarHBondContact O-N 3.48Å; V161-Y163 VanDerWaalsContact O-N 3.1Å |
| 164 | V | 94.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -109 | -21.1 | -172.6 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | P44 Y47 W82 V161 G188 P227 | P44-V164 HydrophobicContact CB-CB 4.04Å; P44-V164 HydrophobicContact CB-CG1 4.27Å; P44-V164 HydrophobicContact CB-CG2 4.47Å; Y47-V164 HydrophobicContact CD1-CG1 4.27Å; Y47-V164 HydrophobicContact CD2-CG1 4.31Å; Y47-V164 HydrophobicContact CG-CG1 3.8Å; W82-V164 HydrophobicContact CD2-CG1 4.34Å; W82-V164 HydrophobicContact CE3-CG1 3.85Å; W82-V164 HydrophobicContact CH2-CB 4.28Å; W82-V164 HydrophobicContact CH2-CG1 4.2Å; W82-V164 HydrophobicContact CZ3-CB 4.35Å; W82-V164 HydrophobicContact CZ3-CG1 3.78Å; V161-V164 PolarHBondContact O-N 3.11Å; V164-G188 VanDerWaalsContact CG2-CA 3.47Å; V164-P227 HydrophobicContact CG1-CG 4.21Å; V164-P227 HydrophobicContact CG2-CG 3.75Å |
| 165 | S | 93.8 | Very high | 88 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -68.1 | 146 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | V161 D186 W209 | V161-S165 VanDerWaalsContact O-CB 3.27Å; V161-S165 WeakPolarHBondContact O-CB 3.48Å; V161-S165 PolarHBondContact O-N 3.25Å; S165-D186 VanDerWaalsContact CB-O 3.22Å; S165-D186 WeakPolarHBondContact CB-O 3.4Å; S165-D186 PolarHBondContact OG-O 2.99Å; S165-W209 PolarHBondContact OG-N 2.82Å |
| 166 | S | 88.6 | Confident | 86.9 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | trans | -54.7 | 144 | 171.6 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | D186 P208 | S166-D186 WeakPolarHBondContact CB-OD2 3.36Å; S166-D186 PolarHBondContact N-OD2 3.39Å; S166-D186 PolarHBondContact OG-OD2 2.97Å; S166-P208 VanDerWaalsContact O-CB 3.29Å; S166-P208 WeakPolarHBondContact O-CB 3.44Å; S166-P208 WeakPolarHBondContact O-CG 3.16Å | ||
| 167 | S | 85.1 | Confident | 85.4 | Confident | 119 Ų | 119 | 76.2 Ų | 76.2 | 83% | 0.832 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -82.3 | -18.2 | -177.6 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 168 | C | 87.7 | Confident | 84 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 46% | 0.459 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -147.9 | 158.3 | -175.3 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 169 | R | 89.2 | Confident | 83.1 | Confident | 137 Ų | 137 | 76.1 Ų | 76.1 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | trans | -61.6 | 132.9 | 174.5 | 175.5 | -178.6 | 176.1 | -169.7 | 4.6 | 110.9 | I171 T205 V206 V207 | R169-I171 HydrophobicContact CG-CG1 4.44Å; R169-T205 HydrophobicContact CG-CG2 3.74Å; R169-V206 CarbonylContact C-O 3.49Å; R169-V206 WeakPolarHBondContact CA-O 3.44Å; R169-V207 HydrophobicContact CG-CG1 4.27Å | ||
| 170 | Q | 90 | Very high | 82.8 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.5 | 174.7 | -61.3 | 173.2 | -17.2 | 0 | 0 | 109.4 | Y172 T205 V206 | Q170-Y172 HydrophobicContact CB-CE2 3.82Å; Q170-Y172 PolarHBondContact OE1-OH 3.47Å; Q170-T205 CarbonylContact O-C 3.48Å; Q170-T205 WeakPolarHBondContact O-CA 3.43Å; Q170-V206 HydrophobicContact CB-CB 4.31Å; Q170-V206 PolarHBondContact N-O 2.73Å; Q170-V206 PolarHBondContact O-N 2.75Å |
| 171 | I | 88 | Confident | 82.6 | Confident | 95 Ų | 95 | 81 Ų | 81 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.5 | -176.2 | -57.9 | 173.1 | 0 | 0 | 0 | 108.3 | R169 T205 | R169-I171 HydrophobicContact CG-CG1 4.44Å; I171-T205 HydrophobicContact CG1-CG2 4.23Å |
| 172 | Y | 87.5 | Confident | 82.5 | Confident | 24 Ų | 24 | 81 Ų | 81 | 9% | 0.094 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 102.3 | 176.1 | -60.4 | -86.9 | 0 | 0 | 0 | 108.7 | E71 L72 Q170 L194 A203 V204 V206 | E71-Y172 HydrophobicContact CB-CE1 4.41Å; L72-Y172 HydrophobicContact CD2-CE1 4.34Å; L72-Y172 HydrophobicContact CG-CE1 4.46Å; Q170-Y172 HydrophobicContact CB-CE2 3.82Å; Q170-Y172 PolarHBondContact OE1-OH 3.47Å; Y172-L194 HydrophobicContact CD1-CD2 4.27Å; Y172-L194 HydrophobicContact CD2-CD1 3.96Å; Y172-L194 HydrophobicContact CD2-CD2 3.8Å; Y172-L194 HydrophobicContact CE1-CD2 3.98Å; Y172-L194 HydrophobicContact CE2-CD1 4.44Å; Y172-L194 HydrophobicContact CE2-CD2 3.48Å; Y172-L194 VanDerWaalsContact CE2-CD2 3.48Å; Y172-L194 HydrophobicContact CG-CD1 4.22Å; Y172-L194 HydrophobicContact CG-CD2 4.18Å; Y172-A203 CarbonylContact O-C 3.57Å; Y172-A203 WeakPolarHBondContact O-CA 3.39Å; Y172-V204 PolarHBondContact N-O 2.93Å; Y172-V204 PolarHBondContact O-N 3.05Å; Y172-V206 HydrophobicContact CD2-CG2 4.08Å; Y172-V206 HydrophobicContact CE2-CG2 3.82Å |
| 173 | D | 81.3 | Confident | 82.6 | Confident | 117 Ų | 117 | 78.4 Ų | 78.4 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | trans | -69.7 | 152.5 | 178.3 | -84.9 | -36.2 | 0 | 0 | 0 | 112.1 | ||||
| 174 | S | 72.9 | Confident | 82.7 | Confident | 28 Ų | 28 | 73 Ų | 73 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | trans | -77.3 | 152.6 | 171.9 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | D176 G201 | S174-D176 PolarHBondContact OG-N 2.89Å; S174-G201 WeakPolarHBondContact CB-O 3.47Å; S174-G201 VanDerWaalsContact OG-C 3.28Å; S174-G201 PolarHBondContact OG-O 2.85Å | ||
| 175 | Q | 67.6 | Low | 82.8 | Confident | 190 Ų | 190 | 72.4 Ų | 72.4 | 89% | 0.888 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -92 | -11.3 | 167.9 | -64.6 | -166.8 | -0 | 0 | 0 | 112.9 | ||
| 176 | D | 65.4 | Low | 82.9 | Confident | 89 Ų | 89 | 72 Ų | 72 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -85.8 | 150.7 | 178.8 | -80.2 | -31.8 | 0 | 0 | 0 | 111.7 | S174 E178 G201 | S174-D176 PolarHBondContact OG-N 2.89Å; D176-E178 PolarHBondContact O-N 3.1Å; D176-G201 WeakPolarHBondContact OD2-CA 3.33Å |
| 177 | E | 58.7 | Low | 83.2 | Confident | 199 Ų | 199 | 71 Ų | 71 | 93% | 0.93 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -66.7 | -23.6 | 173.2 | -69.1 | -174.7 | 169.4 | 0 | 0 | 112.2 | N179 | E177-N179 PolarHBondContact O-N 2.91Š|
| 178 | E | 58.5 | Low | 83.6 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 53% | 0.533 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -79.1 | 94.4 | 175.8 | -72.9 | -176.1 | 171 | 0 | 0 | 110.8 | D176 V180 Y361 | D176-E178 PolarHBondContact O-N 3.1Å; E178-V180 PolarHBondContact O-N 3.29Å; E178-V180 VanDerWaalsContact O-N 3.09Å; E178-Y361 PolarHBondContact OE2-OH 2.88Å |
| 179 | N | 70.2 | Confident | 83.9 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | trans | -89.9 | 63.6 | -168.4 | -156.8 | 2.1 | 0 | 0 | 0 | 113.2 | E177 R181 | E177-N179 PolarHBondContact O-N 2.91Å; N179-R181 PolarHBondContact O-N 2.81Å; N179-R181 WeakPolarHBondContact OD1-CG 3.35Å | ||
| 180 | V | 86.3 | Confident | 84 | Confident | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | trans | -70.2 | 117.1 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | E178 I182 I202 A203 D219 F360 Y361 | E178-V180 PolarHBondContact O-N 3.29Å; E178-V180 VanDerWaalsContact O-N 3.09Å; V180-I182 HydrophobicContact CG1-CG2 4.29Å; V180-I202 HydrophobicContact CG1-CG2 4.47Å; V180-A203 PolarHBondContact O-N 3.43Å; V180-D219 HydrophobicContact CG1-CB 4.43Å; V180-F360 HydrophobicContact CG1-CD1 3.6Å; V180-F360 HydrophobicContact CG1-CD2 4.01Å; V180-F360 HydrophobicContact CG1-CE1 3.46Å; V180-F360 VanDerWaalsContact CG1-CE1 3.46Å; V180-F360 HydrophobicContact CG1-CE2 3.92Å; V180-F360 HydrophobicContact CG1-CG 3.88Å; V180-F360 HydrophobicContact CG1-CZ 3.65Å; V180-F360 HydrophobicContact CG2-CB 4.49Å; V180-F360 HydrophobicContact CG2-CG 4.43Å; V180-Y361 WeakPolarHBondContact CG2-OH 3.28Å | ||
| 181 | R | 89.9 | Confident | 84.1 | Confident | 127 Ų | 127 | 54.7 Ų | 54.7 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.8 | -179.1 | -66.5 | 170.4 | -62.9 | -171.6 | 4.4 | 110.4 | N179 A203 D219 | N179-R181 PolarHBondContact O-N 2.81Å; N179-R181 WeakPolarHBondContact OD1-CG 3.35Å; R181-A203 WeakPolarHBondContact CA-O 3.22Å; R181-A203 HydrophobicContact CG-CB 3.89Å; R181-D219 PolarHBondContact N-OD2 3.35Å; R181-D219 IonicContact NE-OD2 3.89Å; R181-D219 PolarHBondContact O-N 2.98Å |
| 182 | I | 93.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 153.1 | 176.9 | 69 | 170.5 | 0 | 0 | 0 | 111.9 | V180 L197 I202 A203 V204 T205 G220 F222 F356 F360 | V180-I182 HydrophobicContact CG1-CG2 4.29Å; I182-L197 HydrophobicContact CD1-CD1 3.87Å; I182-L197 HydrophobicContact CD1-CD2 3.91Å; I182-L197 HydrophobicContact CD1-CG 4.41Å; I182-I202 HydrophobicContact CB-CG2 4.38Å; I182-I202 HydrophobicContact CD1-CG2 3.84Å; I182-I202 HydrophobicContact CG1-CG2 3.74Å; I182-I202 HydrophobicContact CG2-CG2 3.87Å; I182-A203 PolarHBondContact N-O 2.76Å; I182-V204 HydrophobicContact CD1-CG1 4.4Å; I182-V204 HydrophobicContact CD1-CG2 4.09Å; I182-V204 HydrophobicContact CG1-CB 4.36Å; I182-V204 HydrophobicContact CG1-CG1 4.2Å; I182-V204 HydrophobicContact CG1-CG2 4.02Å; I182-T205 PolarHBondContact O-N 3.37Å; I182-G220 WeakPolarHBondContact CA-O 3.47Å; I182-G220 WeakPolarHBondContact CB-O 3.32Å; I182-F222 HydrophobicContact CD1-CB 4.05Å; I182-F356 HydrophobicContact CD1-CE1 4.08Å; I182-F356 HydrophobicContact CG2-CE1 4.28Å; I182-F356 HydrophobicContact CG2-CZ 4.4Å; I182-F360 HydrophobicContact CG2-CE1 4.22Å; I182-F360 HydrophobicContact CG2-CZ 3.67Å |
| 183 | I | 94.2 | Very high | 84.4 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.8 | 161.9 | -72.4 | 169.5 | 0 | 0 | 0 | 108.2 | V185 T205 V207 F213 E217 C218 G220 F222 | I183-V185 HydrophobicContact CG2-CG2 4.21Å; I183-T205 WeakPolarHBondContact CA-O 3.33Å; I183-V207 HydrophobicContact CG2-CG1 4.25Å; I183-V207 HydrophobicContact CG2-CG2 3.61Å; I183-F213 HydrophobicContact CD1-CB 4.08Å; I183-F213 HydrophobicContact CG2-CB 4.24Å; I183-E217 HydrophobicContact CD1-CB 4.18Å; I183-C218 HydrophobicContact CB-CB 4.39Å; I183-C218 HydrophobicContact CD1-CB 4.04Å; I183-C218 HydrophobicContact CG1-CB 3.84Å; I183-G220 PolarHBondContact N-O 3.02Å; I183-G220 VanDerWaalsContact N-O 3.13Å; I183-F222 PolarHBondContact O-N 3.2Å |
| 184 | L | 95.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 113.9 | 170.4 | -170.6 | 159.4 | 0 | 0 | 0 | 108.9 | D186 M189 L197 V204 T205 V206 V207 F222 | L184-D186 HydrophobicContact CD2-CB 4.37Å; L184-D186 PolarHBondContact O-N 3.19Å; L184-M189 HydrophobicContact CD1-SD 3.49Å; L184-M189 WeakPolarHBondContact CD1-SD 3.3Å; L184-M189 HydrophobicContact CD2-CB 4.32Å; L184-M189 HydrophobicContact CD2-CG 4.06Å; L184-M189 HydrophobicContact CD2-SD 3.35Å; L184-M189 WeakPolarHBondContact CD2-SD 3.43Å; L184-M189 HydrophobicContact CG-SD 4.08Å; L184-L197 HydrophobicContact CD1-CD1 3.85Å; L184-V204 HydrophobicContact CB-CG1 3.65Å; L184-V204 HydrophobicContact CD1-CG1 4.1Å; L184-T205 PolarHBondContact N-O 2.79Å; L184-V206 HydrophobicContact CB-CG2 4.35Å; L184-V206 HydrophobicContact CD2-CG1 4.31Å; L184-V206 CarbonylContact O-C 3.19Å; L184-V206 WeakPolarHBondContact O-CA 3.33Å; L184-V207 PolarHBondContact O-N 3.06Å; L184-F222 CarbonylContact C-O 3.47Å; L184-F222 VanDerWaalsContact CA-O 3.29Å; L184-F222 WeakPolarHBondContact CA-O 3.4Å; L184-F222 HydrophobicContact CB-CB 4.49Å; L184-F222 HydrophobicContact CD1-CD1 3.97Å; L184-F222 HydrophobicContact CG-CB 4.32Å; L184-F222 HydrophobicContact CG-CD1 3.88Å; L184-F222 HydrophobicContact CG-CG 4.47Å |
| 185 | V | 95.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.3 | 175.9 | -176 | 0 | 0 | 0 | 0 | 108.7 | I183 C187 V207 F213 F222 I223 S224 | I183-V185 HydrophobicContact CG2-CG2 4.21Å; V185-C187 PolarHBondContact O-N 2.9Å; V185-V207 HydrophobicContact CG2-CG2 4.14Å; V185-F213 HydrophobicContact CG1-CE1 4.35Å; V185-F213 HydrophobicContact CG2-CD1 3.69Å; V185-F213 HydrophobicContact CG2-CE1 3.53Å; V185-F213 HydrophobicContact CG2-CG 4.31Å; V185-F213 HydrophobicContact CG2-CZ 4Å; V185-F222 PolarHBondContact N-O 3.24Å; V185-I223 HydrophobicContact CB-CD1 3.62Å; V185-I223 HydrophobicContact CG1-CD1 4.45Å; V185-I223 HydrophobicContact CG2-CD1 3.47Å; V185-I223 VanDerWaalsContact CG2-CD1 3.47Å; V185-S224 PolarHBondContact O-N 2.96Å; V185-S224 VanDerWaalsContact O-N 3.12Å; V185-S224 PolarHBondContact O-OG 3.47Å |
| 186 | D | 95.9 | Very high | 86.8 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 100.7 | -176.2 | 174.2 | 12.2 | 0 | 0 | 0 | 110.7 | S165 S166 L184 G188 M189 V206 V207 W209 | S165-D186 VanDerWaalsContact CB-O 3.22Å; S165-D186 WeakPolarHBondContact CB-O 3.4Å; S165-D186 PolarHBondContact OG-O 2.99Å; S166-D186 WeakPolarHBondContact CB-OD2 3.36Å; S166-D186 PolarHBondContact N-OD2 3.39Å; S166-D186 PolarHBondContact OG-OD2 2.97Å; L184-D186 HydrophobicContact CD2-CB 4.37Å; L184-D186 PolarHBondContact O-N 3.19Å; D186-G188 WeakPolarHBondContact OD1-CA 3.45Å; D186-G188 PolarHBondContact OD1-N 2.86Å; D186-M189 HydrophobicContact CB-CB 4.31Å; D186-M189 VanDerWaalsContact OD1-CB 3.3Å; D186-M189 WeakPolarHBondContact OD1-CB 3.35Å; D186-M189 PolarHBondContact OD1-N 3.04Å; D186-V206 HydrophobicContact CB-CG1 3.82Å; D186-V207 WeakPolarHBondContact CB-O 3.45Å; D186-V207 PolarHBondContact N-O 3.19Å; D186-W209 WeakPolarHBondContact O-CB 3.33Å; D186-W209 PolarHBondContact O-N 2.72Å |
| 187 | C | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -94.9 | 12.6 | 173.1 | -66 | 0 | 0 | 0 | 0 | 113.4 | V161 V185 S224 N225 G226 L256 | V161-C187 VanDerWaalsContact CG1-CA 3.5Å; V161-C187 HydrophobicContact CG1-CB 3.89Å; V161-C187 WeakPolarHBondContact CG1-O 3.42Å; V161-C187 HydrophobicContact CG2-CB 4.3Å; V161-C187 WeakPolarHBondContact CG2-O 3.42Å; V185-C187 PolarHBondContact O-N 2.9Å; C187-S224 PolarHBondContact N-OG 3.27Å; C187-N225 CarbonylContact C-O 3.51Å; C187-N225 VanDerWaalsContact C-O 3.3Å; C187-G226 WeakPolarHBondContact O-CA 3.41Å; C187-L256 HydrophobicContact CB-CD2 4.09Å |
| 188 | G | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 117.4 | 43.2 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V164 D186 N225 | V164-G188 VanDerWaalsContact CG2-CA 3.47Å; D186-G188 WeakPolarHBondContact OD1-CA 3.45Å; D186-G188 PolarHBondContact OD1-N 2.86Å; G188-N225 CarbonylContact C-O 3.57Å; G188-N225 PolarHBondContact N-O 2.97Å; G188-N225 PolarHBondContact O-ND2 3.46Å; G188-N225 PolarHBondContact O-OD1 3.27Å |
| 189 | M | 93.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | trans | -60.7 | 134 | -173.9 | 178.2 | -172.1 | 68.1 | 0 | 0 | 112.1 | L184 D186 M191 Q193 L194 V206 | L184-M189 HydrophobicContact CD1-SD 3.49Å; L184-M189 WeakPolarHBondContact CD1-SD 3.3Å; L184-M189 HydrophobicContact CD2-CB 4.32Å; L184-M189 HydrophobicContact CD2-CG 4.06Å; L184-M189 HydrophobicContact CD2-SD 3.35Å; L184-M189 WeakPolarHBondContact CD2-SD 3.43Å; L184-M189 HydrophobicContact CG-SD 4.08Å; D186-M189 HydrophobicContact CB-CB 4.31Å; D186-M189 VanDerWaalsContact OD1-CB 3.3Å; D186-M189 WeakPolarHBondContact OD1-CB 3.35Å; D186-M189 PolarHBondContact OD1-N 3.04Å; M189-M191 HydrophobicContact CE-CE 4.04Å; M189-M191 HydrophobicContact CE-SD 4.06Å; M189-Q193 HydrophobicContact CG-CB 4.29Å; M189-L194 HydrophobicContact CE-CB 4.42Å; M189-L194 HydrophobicContact CE-CD2 4.44Å; M189-L194 HydrophobicContact SD-CB 4.29Å; M189-V206 HydrophobicContact CE-CG1 4.35Å; M189-V206 HydrophobicContact CE-CG2 4.32Å; M189-V206 HydrophobicContact SD-CG2 4.4Å | ||
| 190 | K | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -74.5 | 130.7 | 160.7 | -69.7 | -176.9 | -174.2 | -171.3 | 0 | 110.9 | D43 E77 N192 Q193 N225 H339 E341 H342 | D43-K190 WeakPolarHBondContact OD1-CE 3.19Å; D43-K190 IonicContact OD1-NZ 3.38Å; D43-K190 WeakPolarHBondContact OD2-CE 3.36Å; D43-K190 IonicContact OD2-NZ 2.9Å; D43-K190 PolarHBondContact OD2-NZ 3.15Å; E77-K190 HydrophobicContact CB-CB 4.4Å; E77-K190 HydrophobicContact CB-CG 4.2Å; E77-K190 HydrophobicContact CG-CD 4.33Å; E77-K190 HydrophobicContact CG-CG 4.42Å; E77-K190 WeakPolarHBondContact OE2-CB 3.24Å; K190-N192 PolarHBondContact O-N 3.22Å; K190-Q193 HydrophobicContact CB-CG 4.32Å; K190-Q193 WeakPolarHBondContact O-CB 3.31Å; K190-Q193 PolarHBondContact O-N 2.99Å; K190-N225 PolarHBondContact N-OD1 2.85Å; K190-N225 VanDerWaalsContact N-OD1 3.09Å; K190-H339 PolarHBondContact NZ-ND1 3.38Å; K190-E341 HydrophobicContact CB-CG 4.32Å; K190-E341 HydrophobicContact CD-CG 4.3Å; K190-H342 PolarHBondContact NZ-CD2 2.99Å; K190-H342 PolarHBondContact NZ-NE2 3.44Å | ||
| 191 | M | 90.1 | Very high | 91.7 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 20% | 0.202 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.7 | -25.7 | 177.7 | -70 | -66.7 | 155.6 | 0 | 0 | 112.7 | L72 E77 M189 Q193 L194 R195 | L72-M191 HydrophobicContact CD2-SD 3.83Å; E77-M191 WeakPolarHBondContact O-CG 3.37Å; E77-M191 PolarHBondContact O-N 3.22Å; M189-M191 HydrophobicContact CE-CE 4.04Å; M189-M191 HydrophobicContact CE-SD 4.06Å; M191-Q193 VanDerWaalsContact C-N 3.28Å; M191-Q193 PolarHBondContact O-N 3.1Å; M191-L194 PolarHBondContact O-N 3.04Å; M191-R195 PolarHBondContact O-N 3.32Å; M191-R195 VanDerWaalsContact O-N 3.12Å |
| 192 | N | 90.5 | Very high | 91.8 | Very high | 31 Ų | 31 | 19.1 Ų | 19.1 | 17% | 0.166 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.9 | -26.1 | 175.3 | -144.3 | 33 | 0 | 0 | 0 | 114.1 | E77 K190 L194 R195 C196 E341 A343 | E77-N192 WeakPolarHBondContact OE2-CB 3.26Å; E77-N192 PolarHBondContact OE2-N 2.93Å; K190-N192 PolarHBondContact O-N 3.22Å; N192-L194 VanDerWaalsContact C-N 3.3Å; N192-L194 PolarHBondContact O-N 3.16Å; N192-R195 VanDerWaalsContact CG-NH2 3.28Å; N192-R195 PolarHBondContact O-N 3.33Å; N192-R195 VanDerWaalsContact OD1-CZ 3.28Å; N192-R195 PolarHBondContact OD1-NE 3.1Å; N192-R195 PolarHBondContact OD1-NH2 2.92Å; N192-C196 WeakPolarHBondContact O-CB 3.38Å; N192-C196 PolarHBondContact O-N 3.46Å; N192-C196 PolarHBondContact O-SG 3.08Å; N192-C196 VanDerWaalsContact O-SG 3.33Å; N192-E341 HydrophobicContact CB-CB 4.32Å; N192-E341 HydrophobicContact CB-CG 4.42Å; N192-E341 VanDerWaalsContact CB-O 3.3Å; N192-E341 WeakPolarHBondContact CB-O 2.9Å; N192-E341 VanDerWaalsContact CG-O 3.32Å; N192-E341 PolarHBondContact ND2-O 3.36Å; N192-A343 HydrophobicContact CB-CB 4.35Å |
| 193 | Q | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 173.9 | -61.1 | -174.7 | -18.2 | 0 | 0 | 110.2 | M189 K190 M191 R195 C196 L197 F222 N225 E341 | M189-Q193 HydrophobicContact CG-CB 4.29Å; K190-Q193 HydrophobicContact CB-CG 4.32Å; K190-Q193 WeakPolarHBondContact O-CB 3.31Å; K190-Q193 PolarHBondContact O-N 2.99Å; M191-Q193 VanDerWaalsContact C-N 3.28Å; M191-Q193 PolarHBondContact O-N 3.1Å; Q193-R195 VanDerWaalsContact C-N 3.34Å; Q193-R195 PolarHBondContact O-N 3.41Å; Q193-C196 PolarHBondContact O-N 3.23Å; Q193-L197 WeakPolarHBondContact O-CD1 3.42Å; Q193-L197 VanDerWaalsContact O-CG 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 2.87Å; Q193-F222 HydrophobicContact CB-CE1 4.31Å; Q193-F222 HydrophobicContact CB-CZ 4.44Å; Q193-F222 HydrophobicContact CG-CE1 4.41Å; Q193-F222 HydrophobicContact CG-CZ 4.48Å; Q193-N225 PolarHBondContact NE2-OD1 2.7Å; Q193-E341 HydrophobicContact CB-CG 4.49Å; Q193-E341 HydrophobicContact CG-CB 3.81Å; Q193-E341 HydrophobicContact CG-CG 3.38Å; Q193-E341 VanDerWaalsContact NE2-CD 3.29Å; Q193-E341 PolarHBondContact NE2-OE1 3.19Å |
| 194 | L | 90.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64 | -38.7 | 176.4 | -176.5 | 58.6 | 0 | 0 | 0 | 111.6 | L72 Y172 M189 M191 N192 R198 V204 V206 | L72-L194 HydrophobicContact CD1-CD2 3.81Å; L72-L194 HydrophobicContact CD1-CG 3.87Å; L72-L194 HydrophobicContact CD2-CD2 3.5Å; L72-L194 HydrophobicContact CD2-CG 4.34Å; L72-L194 HydrophobicContact CG-CD2 4.26Å; Y172-L194 HydrophobicContact CD1-CD2 4.27Å; Y172-L194 HydrophobicContact CD2-CD1 3.96Å; Y172-L194 HydrophobicContact CD2-CD2 3.8Å; Y172-L194 HydrophobicContact CE1-CD2 3.98Å; Y172-L194 HydrophobicContact CE2-CD1 4.44Å; Y172-L194 HydrophobicContact CE2-CD2 3.48Å; Y172-L194 VanDerWaalsContact CE2-CD2 3.48Å; Y172-L194 HydrophobicContact CG-CD1 4.22Å; Y172-L194 HydrophobicContact CG-CD2 4.18Å; M189-L194 HydrophobicContact CE-CB 4.42Å; M189-L194 HydrophobicContact CE-CD2 4.44Å; M189-L194 HydrophobicContact SD-CB 4.29Å; M191-L194 PolarHBondContact O-N 3.04Å; N192-L194 VanDerWaalsContact C-N 3.3Å; N192-L194 PolarHBondContact O-N 3.16Å; L194-R198 HydrophobicContact CD1-CG 4.05Å; L194-R198 HydrophobicContact CG-CG 4.45Å; L194-R198 WeakPolarHBondContact O-CB 3.45Å; L194-R198 VanDerWaalsContact O-CG 3.24Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.38Å; L194-V204 HydrophobicContact CD1-CB 3.67Å; L194-V204 HydrophobicContact CD1-CG1 3.75Å; L194-V204 HydrophobicContact CD1-CG2 3.88Å; L194-V206 HydrophobicContact CD1-CG2 4.47Å; L194-V206 HydrophobicContact CD2-CG2 4.47Å |
| 195 | R | 88.7 | Confident | 91.5 | Very high | 40 Ų | 40 | 20.1 Ų | 20.1 | 15% | 0.151 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.9 | -64.8 | -172.6 | -64.7 | -102.1 | 0.9 | 111.9 | L72 S73 F76 E77 M191 N192 Q193 L197 R198 K199 | L72-R195 HydrophobicContact CD1-CG 4.45Å; S73-R195 PolarHBondContact O-NH1 3.34Å; F76-R195 PolarHBondContact O-NH1 3.08Å; F76-R195 PolarHBondContact O-NH2 3.41Å; E77-R195 IonicContact OE2-NH2 2.65Å; M191-R195 PolarHBondContact O-N 3.32Å; M191-R195 VanDerWaalsContact O-N 3.12Å; N192-R195 VanDerWaalsContact CG-NH2 3.28Å; N192-R195 PolarHBondContact O-N 3.33Å; N192-R195 VanDerWaalsContact OD1-CZ 3.28Å; N192-R195 PolarHBondContact OD1-NE 3.1Å; N192-R195 PolarHBondContact OD1-NH2 2.92Å; Q193-R195 VanDerWaalsContact C-N 3.34Å; Q193-R195 PolarHBondContact O-N 3.41Å; R195-L197 PolarHBondContact O-N 3.1Å; R195-R198 PolarHBondContact O-N 2.89Å; R195-K199 VanDerWaalsContact O-CB 3.24Å; R195-K199 WeakPolarHBondContact O-CB 3.37Å; R195-K199 PolarHBondContact O-N 2.86Å |
| 196 | C | 91.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.034 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.9 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | N192 Q193 R200 F353 | N192-C196 WeakPolarHBondContact O-CB 3.38Å; N192-C196 PolarHBondContact O-N 3.46Å; N192-C196 PolarHBondContact O-SG 3.08Å; N192-C196 VanDerWaalsContact O-SG 3.33Å; Q193-C196 PolarHBondContact O-N 3.23Å; C196-R200 WeakPolarHBondContact O-CD 3.14Å; C196-R200 PolarHBondContact O-NH1 3.38Å; C196-F353 HydrophobicContact CB-CD1 3.99Å; C196-F353 HydrophobicContact CB-CD2 3.86Å; C196-F353 HydrophobicContact CB-CE1 3.95Å; C196-F353 HydrophobicContact CB-CE2 3.83Å; C196-F353 HydrophobicContact CB-CG 3.95Å; C196-F353 HydrophobicContact CB-CZ 3.89Å |
| 197 | L | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.7 | -47.9 | 176.9 | -70.5 | 161.8 | 0 | 0 | 0 | 111.8 | I182 L184 Q193 R195 K199 R200 I202 V204 F222 F353 F356 | I182-L197 HydrophobicContact CD1-CD1 3.87Å; I182-L197 HydrophobicContact CD1-CD2 3.91Å; I182-L197 HydrophobicContact CD1-CG 4.41Å; L184-L197 HydrophobicContact CD1-CD1 3.85Å; Q193-L197 WeakPolarHBondContact O-CD1 3.42Å; Q193-L197 VanDerWaalsContact O-CG 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 2.87Å; R195-L197 PolarHBondContact O-N 3.1Å; L197-K199 PolarHBondContact O-N 3.22Å; L197-R200 PolarHBondContact O-N 3.06Å; L197-R200 VanDerWaalsContact O-N 3.08Å; L197-I202 HydrophobicContact CD2-CD1 3.81Å; L197-I202 PolarHBondContact O-N 3.43Å; L197-V204 HydrophobicContact CB-CG2 4.03Å; L197-V204 HydrophobicContact CD1-CG2 4.4Å; L197-F222 HydrophobicContact CD1-CD2 4.19Å; L197-F222 HydrophobicContact CD1-CE2 4.43Å; L197-F222 HydrophobicContact CD1-CG 4.28Å; L197-F222 HydrophobicContact CD2-CD2 4.29Å; L197-F353 HydrophobicContact CD2-CD1 3.84Å; L197-F353 HydrophobicContact CD2-CE1 4.18Å; L197-F353 HydrophobicContact CG-CD1 4Å; L197-F353 HydrophobicContact CG-CE1 3.98Å; L197-F356 HydrophobicContact CD2-CD1 3.98Å; L197-F356 HydrophobicContact CD2-CE1 4.12Å |
| 198 | R | 88.4 | Confident | 91.4 | Very high | 73 Ų | 73 | 20.4 Ų | 20.4 | 28% | 0.275 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -65.2 | -36.5 | 179.8 | -71.9 | -175.3 | 72.9 | -179 | 8.5 | 112.9 | E71 L194 R195 R200 G201 | E71-R198 IonicContact OE2-NH1 3.17Å; E71-R198 IonicContact OE2-NH2 2.68Å; L194-R198 HydrophobicContact CD1-CG 4.05Å; L194-R198 HydrophobicContact CG-CG 4.45Å; L194-R198 WeakPolarHBondContact O-CB 3.45Å; L194-R198 VanDerWaalsContact O-CG 3.24Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.38Å; R195-R198 PolarHBondContact O-N 2.89Å; R198-R200 PolarHBondContact O-N 3.04Å; R198-G201 PolarHBondContact O-N 2.62Å |
| 199 | K | 86.3 | Confident | 91.3 | Very high | 151 Ų | 151 | 22.2 Ų | 22.2 | 66% | 0.657 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21.5 | 173.9 | -179.7 | -178 | 167.9 | -162.1 | 0 | 112.6 | R195 L197 E350 | R195-K199 VanDerWaalsContact O-CB 3.24Å; R195-K199 WeakPolarHBondContact O-CB 3.37Å; R195-K199 PolarHBondContact O-N 2.86Å; L197-K199 PolarHBondContact O-N 3.22Å; K199-E350 IonicContact NZ-OE1 3.73Å; K199-E350 PolarHBondContact NZ-OE1 2.94Å; K199-E350 VanDerWaalsContact NZ-OE1 3.08Å; K199-E350 IonicContact NZ-OE2 3.3Å |
| 200 | R | 88.5 | Confident | 91.1 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 9.1 | 179.8 | -69 | 163.9 | 171.5 | 81.8 | 3.7 | 113.3 | C196 L197 R198 E350 D354 K357 | C196-R200 WeakPolarHBondContact O-CD 3.14Å; C196-R200 PolarHBondContact O-NH1 3.38Å; L197-R200 PolarHBondContact O-N 3.06Å; L197-R200 VanDerWaalsContact O-N 3.08Å; R198-R200 PolarHBondContact O-N 3.04Å; R200-E350 IonicContact CZ-OE1 3.65Å; R200-E350 IonicContact NH1-OE1 3.82Å; R200-E350 PolarHBondContact NH1-OE1 2.88Å; R200-E350 PolarHBondContact NH2-O 2.63Å; R200-E350 IonicContact NH2-OE1 2.69Å; R200-E350 PolarHBondContact NH2-OE1 2.87Å; R200-E350 VanDerWaalsContact NH2-OE1 3.11Å; R200-D354 IonicContact CZ-OD1 2.79Å; R200-D354 IonicContact CZ-OD2 2.73Å; R200-D354 VanDerWaalsContact NE-CG 3.33Å; R200-D354 IonicContact NE-OD1 2.85Å; R200-D354 PolarHBondContact NE-OD1 3.5Å; R200-D354 IonicContact NE-OD2 3.78Å; R200-D354 IonicContact NH2-OD1 3.35Å; R200-D354 PolarHBondContact NH2-OD1 2.8Å; R200-D354 IonicContact NH2-OD2 2.67Å; R200-D354 PolarHBondContact NH2-OD2 2.89Å; R200-K357 HydrophobicContact CB-CD 4.11Å; R200-K357 WeakPolarHBondContact O-CD 3.48Å; R200-K357 WeakPolarHBondContact O-CE 3.23Å; R200-K357 PolarHBondContact O-NZ 3.29Å |
| 201 | G | 87.5 | Confident | 91 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 16.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S174 D176 R198 | S174-G201 WeakPolarHBondContact CB-O 3.47Å; S174-G201 VanDerWaalsContact OG-C 3.28Å; S174-G201 PolarHBondContact OG-O 2.85Å; D176-G201 WeakPolarHBondContact OD2-CA 3.33Å; R198-G201 PolarHBondContact O-N 2.62Å |
| 202 | I | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -86.2 | 128.7 | -179.9 | -58.8 | 172 | 0 | 0 | 0 | 109.6 | V180 I182 L197 V204 K357 | V180-I202 HydrophobicContact CG1-CG2 4.47Å; I182-I202 HydrophobicContact CB-CG2 4.38Å; I182-I202 HydrophobicContact CD1-CG2 3.84Å; I182-I202 HydrophobicContact CG1-CG2 3.74Å; I182-I202 HydrophobicContact CG2-CG2 3.87Å; L197-I202 HydrophobicContact CD2-CD1 3.81Å; L197-I202 PolarHBondContact O-N 3.43Å; I202-V204 HydrophobicContact CG2-CG2 4.23Å; I202-K357 HydrophobicContact CD1-CB 4.33Å | ||
| 203 | A | 91.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y172 V180 R181 I182 | Y172-A203 CarbonylContact O-C 3.57Å; Y172-A203 WeakPolarHBondContact O-CA 3.39Å; V180-A203 PolarHBondContact O-N 3.43Å; R181-A203 WeakPolarHBondContact CA-O 3.22Å; R181-A203 HydrophobicContact CG-CB 3.89Å; I182-A203 PolarHBondContact N-O 2.76Å |
| 204 | V | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.2 | -169.9 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | Y172 I182 L184 L194 L197 I202 V206 | Y172-V204 PolarHBondContact N-O 2.93Å; Y172-V204 PolarHBondContact O-N 3.05Å; I182-V204 HydrophobicContact CD1-CG1 4.4Å; I182-V204 HydrophobicContact CD1-CG2 4.09Å; I182-V204 HydrophobicContact CG1-CB 4.36Å; I182-V204 HydrophobicContact CG1-CG1 4.2Å; I182-V204 HydrophobicContact CG1-CG2 4.02Å; L184-V204 HydrophobicContact CB-CG1 3.65Å; L184-V204 HydrophobicContact CD1-CG1 4.1Å; L194-V204 HydrophobicContact CD1-CB 3.67Å; L194-V204 HydrophobicContact CD1-CG1 3.75Å; L194-V204 HydrophobicContact CD1-CG2 3.88Å; L197-V204 HydrophobicContact CB-CG2 4.03Å; L197-V204 HydrophobicContact CD1-CG2 4.4Å; I202-V204 HydrophobicContact CG2-CG2 4.23Å; V204-V206 HydrophobicContact CG1-CG2 4.07Å |
| 205 | T | 93.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 14% | 0.135 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 107.1 | 164.9 | -63.9 | 0 | 0 | 0 | 0 | 109 | R169 Q170 I171 I182 I183 L184 V207 | R169-T205 HydrophobicContact CG-CG2 3.74Å; Q170-T205 CarbonylContact O-C 3.48Å; Q170-T205 WeakPolarHBondContact O-CA 3.43Å; I171-T205 HydrophobicContact CG1-CG2 4.23Å; I182-T205 PolarHBondContact O-N 3.37Å; I183-T205 WeakPolarHBondContact CA-O 3.33Å; L184-T205 PolarHBondContact N-O 2.79Å; T205-V207 HydrophobicContact CG2-CG1 3.91Å |
| 206 | V | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.7 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | R169 Q170 Y172 L184 D186 M189 L194 V204 | R169-V206 CarbonylContact C-O 3.49Å; R169-V206 WeakPolarHBondContact CA-O 3.44Å; Q170-V206 HydrophobicContact CB-CB 4.31Å; Q170-V206 PolarHBondContact N-O 2.73Å; Q170-V206 PolarHBondContact O-N 2.75Å; Y172-V206 HydrophobicContact CD2-CG2 4.08Å; Y172-V206 HydrophobicContact CE2-CG2 3.82Å; L184-V206 HydrophobicContact CB-CG2 4.35Å; L184-V206 HydrophobicContact CD2-CG1 4.31Å; L184-V206 CarbonylContact O-C 3.19Å; L184-V206 WeakPolarHBondContact O-CA 3.33Å; D186-V206 HydrophobicContact CB-CG1 3.82Å; M189-V206 HydrophobicContact CE-CG1 4.35Å; M189-V206 HydrophobicContact CE-CG2 4.32Å; M189-V206 HydrophobicContact SD-CG2 4.4Å; L194-V206 HydrophobicContact CD1-CG2 4.47Å; L194-V206 HydrophobicContact CD2-CG2 4.47Å; V204-V206 HydrophobicContact CG1-CG2 4.07Å |
| 207 | V | 95 | Very high | 87 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.1 | 178.9 | -59 | 0 | 0 | 0 | 0 | 111.1 | R169 I183 L184 V185 D186 T205 H211 | R169-V207 HydrophobicContact CG-CG1 4.27Å; I183-V207 HydrophobicContact CG2-CG1 4.25Å; I183-V207 HydrophobicContact CG2-CG2 3.61Å; L184-V207 PolarHBondContact O-N 3.06Å; V185-V207 HydrophobicContact CG2-CG2 4.14Å; D186-V207 WeakPolarHBondContact CB-O 3.45Å; D186-V207 PolarHBondContact N-O 3.19Å; T205-V207 HydrophobicContact CG2-CG1 3.91Å; V207-H211 HydrophobicContact CB-CB 3.7Å; V207-H211 HydrophobicContact CG2-CB 3.83Å |
| 208 | P | 94.6 | Very high | 86.7 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 151.6 | 173.7 | -25.1 | 33.7 | 0 | 0 | 0 | 112.2 | S166 N210 H211 | S166-P208 VanDerWaalsContact O-CB 3.29Å; S166-P208 WeakPolarHBondContact O-CB 3.44Å; S166-P208 WeakPolarHBondContact O-CG 3.16Å; P208-N210 PolarHBondContact O-N 3Å; P208-H211 WeakPolarHBondContact O-CB 3.27Å; P208-H211 PolarHBondContact O-N 3.13Å |
| 209 | W | 92.6 | Very high | 86.8 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.4 | -176.4 | 73.5 | -80.4 | 0 | 0 | 0 | 114.4 | N159 V161 S165 D186 S235 V236 | N159-W209 WeakPolarHBondContact ND2-CH2 3.36Å; N159-W209 WeakPolarHBondContact ND2-CZ2 3.45Å; V161-W209 HydrophobicContact CG1-CB 3.47Å; V161-W209 VanDerWaalsContact CG1-CB 3.47Å; V161-W209 HydrophobicContact CG1-CD2 3.96Å; V161-W209 HydrophobicContact CG1-CE3 4.49Å; V161-W209 HydrophobicContact CG1-CG 3.48Å; V161-W209 VanDerWaalsContact CG1-CG 3.48Å; S165-W209 PolarHBondContact OG-N 2.82Å; D186-W209 WeakPolarHBondContact O-CB 3.33Å; D186-W209 PolarHBondContact O-N 2.72Å; W209-S235 WeakPolarHBondContact CZ3-OG 3.41Å; W209-V236 HydrophobicContact CE3-CG2 3.82Å; W209-V236 HydrophobicContact CZ3-CG2 4.44Å; W209-V236 WeakPolarHBondContact O-CG2 3.39Å |
| 210 | N | 89.2 | Confident | 87 | Confident | 93 Ų | 93 | 39.1 Ų | 39.1 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8.6 | -178.6 | 67.7 | -19.2 | 0 | 0 | 0 | 113.9 | P208 | P208-N210 PolarHBondContact O-N 3Š|
| 211 | H | 90 | Very high | 87.3 | Confident | 55 Ų | 55 | 38 Ų | 38 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | trans | -64.8 | 133.4 | 175.9 | -169.1 | 75.5 | 0 | 0 | 0 | 110.2 | V207 P208 F213 Q239 | V207-H211 HydrophobicContact CB-CB 3.7Å; V207-H211 HydrophobicContact CG2-CB 3.83Å; P208-H211 WeakPolarHBondContact O-CB 3.27Å; P208-H211 PolarHBondContact O-N 3.13Å; H211-F213 WeakPolarHBondContact O-CD1 3.45Å; H211-F213 PolarHBondContact O-N 3.25Å; H211-Q239 PolarHBondContact O-NE2 2.84Å; H211-Q239 PolarHBondContact O-OE1 3.48Å | ||
| 212 | P | 86.3 | Confident | 87.7 | Confident | 97 Ų | 97 | 37.5 Ų | 37.5 | 63% | 0.63 | 20% | 0.197 | S | C | * | . | trans | -65.5 | 122.9 | 167.8 | -20.7 | 33.7 | 0 | 0 | 0 | 110.3 | ||||
| 213 | F | 81.8 | Confident | 88 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | trans | -123.3 | 143 | 174 | 53.9 | -90.5 | 0 | 0 | 0 | 111.3 | I183 V185 H211 I221 I223 Q239 L240 | I183-F213 HydrophobicContact CD1-CB 4.08Å; I183-F213 HydrophobicContact CG2-CB 4.24Å; V185-F213 HydrophobicContact CG1-CE1 4.35Å; V185-F213 HydrophobicContact CG2-CD1 3.69Å; V185-F213 HydrophobicContact CG2-CE1 3.53Å; V185-F213 HydrophobicContact CG2-CG 4.31Å; V185-F213 HydrophobicContact CG2-CZ 4Å; H211-F213 WeakPolarHBondContact O-CD1 3.45Å; H211-F213 PolarHBondContact O-N 3.25Å; F213-I221 HydrophobicContact CD2-CD1 3.98Å; F213-I221 HydrophobicContact CE2-CD1 4.16Å; F213-I221 HydrophobicContact CE2-CG2 4.41Å; F213-I223 HydrophobicContact CZ-CD1 4.4Å; F213-Q239 HydrophobicContact CE1-CB 4.09Å; F213-Q239 HydrophobicContact CE2-CB 4.18Å; F213-Q239 HydrophobicContact CZ-CB 3.75Å; F213-L240 HydrophobicContact CE2-CD2 4.35Å; F213-L240 HydrophobicContact CZ-CD2 4.38Å; F213-L240 HydrophobicContact CZ-CG 4.37Å | ||
| 214 | S | 77 | Confident | 88.2 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | trans | -129.6 | 157.8 | 169.6 | 90.3 | 0 | 0 | 0 | 0 | 109.9 | E216 E217 | S214-E216 PolarHBondContact O-N 2.68Å; S214-E216 PolarHBondContact OG-N 2.95Å; S214-E217 PolarHBondContact O-N 3.49Å | ||
| 215 | T | 69.5 | Low | 88.4 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.3 | 177.9 | 57 | 0 | 0 | 0 | 0 | 113.6 | E217 I221 C243 D247 V249 | T215-E217 VanDerWaalsContact C-N 3.25Å; T215-E217 PolarHBondContact O-N 3.4Å; T215-I221 HydrophobicContact CG2-CD1 4.13Å; T215-C243 HydrophobicContact CG2-CB 4.47Å; T215-D247 HydrophobicContact CG2-CB 3.47Å; T215-D247 VanDerWaalsContact CG2-CB 3.47Å; T215-D247 VanDerWaalsContact CG2-CG 3.44Å; T215-D247 VanDerWaalsContact CG2-OD2 3.27Å; T215-D247 WeakPolarHBondContact CG2-OD2 3.42Å; T215-D247 PolarHBondContact OG1-OD1 3.33Å; T215-D247 PolarHBondContact OG1-OD2 3.17Å; T215-V249 HydrophobicContact CG2-CG1 4.35Å; T215-V249 HydrophobicContact CG2-CG2 3.44Å; T215-V249 VanDerWaalsContact CG2-CG2 3.44Å |
| 216 | E | 71.6 | Confident | 88.4 | Confident | 185 Ų | 185 | 36.4 Ų | 36.4 | 86% | 0.864 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -19.8 | 175.2 | -63.2 | -174.7 | 169.9 | 0 | 0 | 112 | S214 | S214-E216 PolarHBondContact O-N 2.68Å; S214-E216 PolarHBondContact OG-N 2.95Å |
| 217 | E | 74.6 | Confident | 88.4 | Confident | 125 Ų | 125 | 36.7 Ų | 36.7 | 58% | 0.584 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -94.9 | -12.6 | -176.6 | -61.9 | -169.5 | 169.3 | 0 | 0 | 113.9 | I183 S214 T215 | I183-E217 HydrophobicContact CD1-CB 4.18Å; S214-E217 PolarHBondContact O-N 3.49Å; T215-E217 VanDerWaalsContact C-N 3.25Å; T215-E217 PolarHBondContact O-N 3.4Å |
| 218 | C | 85.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | trans | -149 | 154.3 | -174.1 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | I183 G220 | I183-C218 HydrophobicContact CB-CB 4.39Å; I183-C218 HydrophobicContact CD1-CB 4.04Å; I183-C218 HydrophobicContact CG1-CB 3.84Å; C218-G220 VanDerWaalsContact C-N 3.29Å; C218-G220 PolarHBondContact O-N 3.16Å; C218-G220 PolarHBondContact SG-O 3.41Å; C218-G220 VanDerWaalsContact SG-O 3.32Å | ||
| 219 | D | 89.1 | Confident | 88.2 | Confident | 64 Ų | 64 | 38.4 Ų | 38.4 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -78.3 | -17.4 | 177.1 | -53.1 | -63.1 | 0 | 0 | 0 | 111.8 | V180 R181 V249 P250 F360 | V180-D219 HydrophobicContact CG1-CB 4.43Å; R181-D219 PolarHBondContact N-OD2 3.35Å; R181-D219 IonicContact NE-OD2 3.89Å; R181-D219 PolarHBondContact O-N 2.98Å; D219-V249 WeakPolarHBondContact O-CB 3.44Å; D219-P250 WeakPolarHBondContact O-CD 3.17Å; D219-F360 VanDerWaalsContact C-CE1 3.44Å; D219-F360 HydrophobicContact CB-CD1 4.05Å; D219-F360 HydrophobicContact CB-CE1 3.89Å; D219-F360 WeakPolarHBondContact O-CE1 3.12Å |
| 220 | G | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 165.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I182 I183 C218 P250 | I182-G220 WeakPolarHBondContact CA-O 3.47Å; I182-G220 WeakPolarHBondContact CB-O 3.32Å; I183-G220 PolarHBondContact N-O 3.02Å; I183-G220 VanDerWaalsContact N-O 3.13Å; C218-G220 VanDerWaalsContact C-N 3.29Å; C218-G220 PolarHBondContact O-N 3.16Å; C218-G220 PolarHBondContact SG-O 3.41Å; C218-G220 VanDerWaalsContact SG-O 3.32Å; G220-P250 CarbonylContact C-O 3.54Å; G220-P250 VanDerWaalsContact CA-O 3.32Å; G220-P250 WeakPolarHBondContact CA-O 3.22Å |
| 221 | I | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.6 | -174.4 | -58.3 | 170.5 | 0 | 0 | 0 | 110.1 | F213 T215 I223 C243 V249 P250 I251 M252 | F213-I221 HydrophobicContact CD2-CD1 3.98Å; F213-I221 HydrophobicContact CE2-CD1 4.16Å; F213-I221 HydrophobicContact CE2-CG2 4.41Å; T215-I221 HydrophobicContact CG2-CD1 4.13Å; I221-I223 HydrophobicContact CG2-CD1 3.61Å; I221-I223 HydrophobicContact CG2-CG1 4.3Å; I221-C243 HydrophobicContact CD1-CB 4.43Å; I221-V249 HydrophobicContact CD1-CG2 4.41Å; I221-V249 HydrophobicContact CG1-CG2 4.5Å; I221-P250 PolarHBondContact N-O 2.91Å; I221-I251 HydrophobicContact CB-CG1 4.26Å; I221-I251 WeakPolarHBondContact O-CA 3.4Å; I221-M252 PolarHBondContact O-N 2.76Å; I221-M252 VanDerWaalsContact O-N 3.09Å |
| 222 | F | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.4 | 171.3 | -168.2 | -78.3 | 0 | 0 | 0 | 110 | I182 I183 L184 V185 Q193 L197 M252 V254 F353 F356 | I182-F222 HydrophobicContact CD1-CB 4.05Å; I183-F222 PolarHBondContact O-N 3.2Å; L184-F222 CarbonylContact C-O 3.47Å; L184-F222 VanDerWaalsContact CA-O 3.29Å; L184-F222 WeakPolarHBondContact CA-O 3.4Å; L184-F222 HydrophobicContact CB-CB 4.49Å; L184-F222 HydrophobicContact CD1-CD1 3.97Å; L184-F222 HydrophobicContact CG-CB 4.32Å; L184-F222 HydrophobicContact CG-CD1 3.88Å; L184-F222 HydrophobicContact CG-CG 4.47Å; V185-F222 PolarHBondContact N-O 3.24Å; Q193-F222 HydrophobicContact CB-CE1 4.31Å; Q193-F222 HydrophobicContact CB-CZ 4.44Å; Q193-F222 HydrophobicContact CG-CE1 4.41Å; Q193-F222 HydrophobicContact CG-CZ 4.48Å; L197-F222 HydrophobicContact CD1-CD2 4.19Å; L197-F222 HydrophobicContact CD1-CE2 4.43Å; L197-F222 HydrophobicContact CD1-CG 4.28Å; L197-F222 HydrophobicContact CD2-CD2 4.29Å; F222-M252 CarbonylContact C-O 3.56Å; F222-M252 VanDerWaalsContact CA-O 3.28Å; F222-M252 WeakPolarHBondContact CA-O 3.46Å; F222-M252 HydrophobicContact CD2-CB 3.98Å; F222-M252 HydrophobicContact CD2-CG 4.05Å; F222-M252 HydrophobicContact CD2-SD 4.12Å; F222-M252 HydrophobicContact CE2-CB 4.26Å; F222-M252 HydrophobicContact CE2-CE 4.06Å; F222-M252 HydrophobicContact CE2-CG 3.79Å; F222-M252 HydrophobicContact CE2-SD 3.59Å; F222-M252 VanDerWaalsContact CE2-SD 3.59Å; F222-V254 HydrophobicContact CE1-CG2 4.25Å; F222-V254 HydrophobicContact CE2-CG2 4.39Å; F222-V254 HydrophobicContact CZ-CG2 3.65Å; F222-F353 HydrophobicContact CE2-CD1 4.31Å; F222-F353 AromaticContact CE2-CE1 3.59Å; F222-F353 HydrophobicContact CE2-CE1 3.59Å; F222-F353 HydrophobicContact CE2-CZ 4.31Å; F222-F353 AromaticContact CZ-CE1 3.84Å; F222-F353 HydrophobicContact CZ-CE1 3.84Å; F222-F353 HydrophobicContact CZ-CZ 4.2Å; F222-F356 HydrophobicContact CD2-CD1 4.47Å; F222-F356 HydrophobicContact CD2-CE1 4.17Å |
| 223 | I | 96.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.4 | 175.8 | -47.4 | -61.7 | 0 | 0 | 0 | 108.9 | V185 F213 I221 L240 M252 A253 V254 L260 | V185-I223 HydrophobicContact CB-CD1 3.62Å; V185-I223 HydrophobicContact CG1-CD1 4.45Å; V185-I223 HydrophobicContact CG2-CD1 3.47Å; V185-I223 VanDerWaalsContact CG2-CD1 3.47Å; F213-I223 HydrophobicContact CZ-CD1 4.4Å; I221-I223 HydrophobicContact CG2-CD1 3.61Å; I221-I223 HydrophobicContact CG2-CG1 4.3Å; I223-L240 HydrophobicContact CD1-CD2 3.95Å; I223-L240 HydrophobicContact CG1-CD1 4.24Å; I223-L240 HydrophobicContact CG1-CD2 3.97Å; I223-M252 PolarHBondContact N-O 2.84Å; I223-A253 HydrophobicContact CB-CB 3.86Å; I223-A253 HydrophobicContact CG1-CB 4.3Å; I223-A253 WeakPolarHBondContact O-CA 3.38Å; I223-V254 PolarHBondContact O-N 3.01Å; I223-L260 HydrophobicContact CG2-CD1 4.44Å |
| 224 | S | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -70.9 | 174.6 | -174.8 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | V185 C187 V254 G257 | V185-S224 PolarHBondContact O-N 2.96Å; V185-S224 VanDerWaalsContact O-N 3.12Å; V185-S224 PolarHBondContact O-OG 3.47Å; C187-S224 PolarHBondContact N-OG 3.27Å; S224-V254 CarbonylContact C-O 3.47Å; S224-V254 VanDerWaalsContact O-O 3.11Å; S224-G257 PolarHBondContact O-N 3.49Å; S224-G257 VanDerWaalsContact O-N 3.16Å | ||
| 225 | N | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -67.7 | 174.3 | 163.5 | 67.9 | -68.1 | 0 | 0 | 0 | 111.4 | S45 C187 G188 K190 Q193 V254 C255 H339 | S45-N225 PolarHBondContact OG-ND2 3.37Å; C187-N225 CarbonylContact C-O 3.51Å; C187-N225 VanDerWaalsContact C-O 3.3Å; G188-N225 CarbonylContact C-O 3.57Å; G188-N225 PolarHBondContact N-O 2.97Å; G188-N225 PolarHBondContact O-ND2 3.46Å; G188-N225 PolarHBondContact O-OD1 3.27Å; K190-N225 PolarHBondContact N-OD1 2.85Å; K190-N225 VanDerWaalsContact N-OD1 3.09Å; Q193-N225 PolarHBondContact NE2-OD1 2.7Å; N225-V254 VanDerWaalsContact CA-O 3.3Å; N225-V254 WeakPolarHBondContact CA-O 3.45Å; N225-V254 HydrophobicContact CB-CG1 4.43Å; N225-V254 PolarHBondContact N-O 2.8Å; N225-C255 HydrophobicContact CB-CB 3.71Å; N225-H339 VanDerWaalsContact CB-CE1 3.48Å; N225-H339 WeakPolarHBondContact CB-CE1 3.24Å | ||
| 226 | G | 94 | Very high | 90.8 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | trans | 177.8 | 166.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | C187 L256 | C187-G226 WeakPolarHBondContact O-CA 3.41Å; G226-L256 WeakPolarHBondContact O-CB 3.42Å | ||
| 227 | P | 94.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.045 | 15% | 0.154 | C | C | . | . | trans | -85.3 | 159.4 | 177.2 | 32.3 | -33.6 | 0 | 0 | 0 | 113.5 | L160 V164 | L160-P227 HydrophobicContact CB-CB 3.9Å; L160-P227 HydrophobicContact CB-CG 3.69Å; L160-P227 HydrophobicContact CD1-CB 4.09Å; V164-P227 HydrophobicContact CG1-CG 4.21Å; V164-P227 HydrophobicContact CG2-CG 3.75Å | ||
| 228 | G | 91.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 24 Ų | 24 | 16% | 0.155 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 91.1 | -173 | 164 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y300 | G228-Y300 WeakPolarHBondContact O-CD2 3.45Š|
| 229 | D | 93.7 | Very high | 93 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 19% | 0.193 | 15% | 0.152 | C | C | . | . | trans | -76.9 | 120.7 | -178.3 | 177.1 | 0.9 | 0 | 0 | 0 | 111 | A231 K232 Y300 | D229-A231 PolarHBondContact O-N 3.26Å; D229-A231 VanDerWaalsContact O-N 3.09Å; D229-A231 VanDerWaalsContact OD1-CB 3.28Å; D229-A231 WeakPolarHBondContact OD1-CB 3.44Å; D229-A231 PolarHBondContact OD1-N 3.21Å; D229-K232 HydrophobicContact CB-CG 4.02Å; D229-K232 WeakPolarHBondContact O-CB 3.21Å; D229-K232 PolarHBondContact O-N 3.48Å; D229-Y300 HydrophobicContact CB-CE1 4.06Å; D229-Y300 HydrophobicContact CB-CE2 4.11Å | ||
| 230 | P | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -58.1 | -24.7 | 179 | 24.6 | -35.6 | 0 | 0 | 0 | 113.6 | K232 C233 L256 Q259 L260 L263 T269 | P230-K232 PolarHBondContact O-N 3.16Å; P230-C233 PolarHBondContact O-N 3.16Å; P230-C233 VanDerWaalsContact O-N 3.15Å; P230-L256 HydrophobicContact CB-CD1 3.76Å; P230-Q259 HydrophobicContact CB-CB 3.88Å; P230-Q259 HydrophobicContact CG-CB 4.03Å; P230-L260 HydrophobicContact CB-CD2 4Å; P230-L260 WeakPolarHBondContact O-CD2 3.22Å; P230-L263 HydrophobicContact CB-CD1 3.84Å; P230-L263 HydrophobicContact CG-CD1 4.33Å; P230-T269 HydrophobicContact CG-CG2 3.99Å |
| 231 | A | 91 | Very high | 93.1 | Very high | 61 Ų | 61 | 25.8 Ų | 25.8 | 50% | 0.504 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -64.8 | -19.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D229 C233 | D229-A231 PolarHBondContact O-N 3.26Å; D229-A231 VanDerWaalsContact O-N 3.09Å; D229-A231 VanDerWaalsContact OD1-CB 3.28Å; D229-A231 WeakPolarHBondContact OD1-CB 3.44Å; D229-A231 PolarHBondContact OD1-N 3.21Å; A231-C233 VanDerWaalsContact C-N 3.28Å; A231-C233 PolarHBondContact O-N 3.3Å |
| 232 | K | 92.2 | Very high | 92.8 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 32% | 0.317 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -78.3 | -11 | 177.1 | -56.6 | -69 | 177.7 | 163.7 | 0 | 113.1 | Q157 N159 D229 P230 | Q157-K232 PolarHBondContact O-NZ 3.47Å; N159-K232 HydrophobicContact CB-CB 4.17Å; N159-K232 PolarHBondContact ND2-O 2.93Å; D229-K232 HydrophobicContact CB-CG 4.02Å; D229-K232 WeakPolarHBondContact O-CB 3.21Å; D229-K232 PolarHBondContact O-N 3.48Å; P230-K232 PolarHBondContact O-N 3.16Å |
| 233 | C | 92.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -106.4 | 38 | -176.9 | -60.4 | 0 | 0 | 0 | 0 | 113 | V161 P230 A231 S235 V236 V237 L260 | V161-C233 VanDerWaalsContact CG2-SG 3.58Å; P230-C233 PolarHBondContact O-N 3.16Å; P230-C233 VanDerWaalsContact O-N 3.15Å; A231-C233 VanDerWaalsContact C-N 3.28Å; A231-C233 PolarHBondContact O-N 3.3Å; C233-S235 PolarHBondContact O-N 3.26Å; C233-S235 VanDerWaalsContact O-N 3.11Å; C233-V236 PolarHBondContact O-N 3.46Å; C233-V237 PolarHBondContact O-N 3.05Å; C233-L260 HydrophobicContact CB-CD1 4.38Å; C233-L260 HydrophobicContact CB-CD2 3.66Å |
| 234 | S | 89.2 | Confident | 92.1 | Very high | 84 Ų | 84 | 31.1 Ų | 31.1 | 59% | 0.587 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -56.2 | -30.6 | -173.4 | 57.7 | 0 | 0 | 0 | 0 | 115 | V236 V237 E238 | S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 2.97Å; S234-V237 PolarHBondContact O-N 3.23Å; S234-E238 PolarHBondContact O-N 3.18Å |
| 235 | S | 89.1 | Confident | 91.5 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 32% | 0.315 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64 | -33.6 | 176.2 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | W209 C233 Q239 | W209-S235 WeakPolarHBondContact CZ3-OG 3.41Å; C233-S235 PolarHBondContact O-N 3.26Å; C233-S235 VanDerWaalsContact O-N 3.11Å; S235-Q239 WeakPolarHBondContact O-CG 3.43Å; S235-Q239 PolarHBondContact O-N 3.03Å; S235-Q239 PolarHBondContact O-NE2 3.46Å |
| 236 | V | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.4 | -41.8 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | W209 C233 S234 E238 Q239 L240 L260 | W209-V236 HydrophobicContact CE3-CG2 3.82Å; W209-V236 HydrophobicContact CZ3-CG2 4.44Å; W209-V236 WeakPolarHBondContact O-CG2 3.39Å; C233-V236 PolarHBondContact O-N 3.46Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 2.97Å; V236-E238 VanDerWaalsContact C-N 3.31Å; V236-E238 PolarHBondContact O-N 2.9Å; V236-Q239 PolarHBondContact O-N 3.32Å; V236-L240 HydrophobicContact CG1-CD1 4.13Å; V236-L240 HydrophobicContact CG1-CG 4.43Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 WeakPolarHBondContact O-CG 3.48Å; V236-L240 PolarHBondContact O-N 3.48Å; V236-L260 HydrophobicContact CB-CD1 4.31Å; V236-L260 HydrophobicContact CG1-CD1 4.06Å |
| 237 | V | 93.4 | Very high | 89 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 177.1 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | C233 S234 R241 L260 L263 A264 | C233-V237 PolarHBondContact O-N 3.05Å; S234-V237 PolarHBondContact O-N 3.23Å; V237-R241 VanDerWaalsContact CG1-NH2 3.35Å; V237-R241 VanDerWaalsContact O-CB 3.28Å; V237-R241 WeakPolarHBondContact O-CB 3.37Å; V237-R241 PolarHBondContact O-N 3.46Å; V237-L260 HydrophobicContact CG2-CB 4.37Å; V237-L260 HydrophobicContact CG2-CD2 3.62Å; V237-L263 HydrophobicContact CG1-CB 3.89Å; V237-L263 HydrophobicContact CG2-CB 4.15Å; V237-L263 HydrophobicContact CG2-CD1 4.23Å; V237-A264 HydrophobicContact CG1-CB 4.21Å |
| 238 | E | 92.4 | Very high | 88.1 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 178.6 | -168.8 | 62.4 | -161.7 | 0 | 0 | 112.4 | S234 V236 R241 N242 | S234-E238 PolarHBondContact O-N 3.18Å; V236-E238 VanDerWaalsContact C-N 3.31Å; V236-E238 PolarHBondContact O-N 2.9Å; E238-R241 PolarHBondContact O-N 3.08Å; E238-R241 IonicContact OE2-CZ 2.94Å; E238-R241 IonicContact OE2-NH1 3.57Å; E238-R241 PolarHBondContact OE2-NH1 2.94Å; E238-N242 PolarHBondContact O-N 3.06Å; E238-N242 PolarHBondContact O-ND2 3.01Å |
| 239 | Q | 92 | Very high | 87.9 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 175.6 | -71.8 | -177 | 74 | 0 | 0 | 112 | H211 F213 S235 V236 R241 N242 C243 | H211-Q239 PolarHBondContact O-NE2 2.84Å; H211-Q239 PolarHBondContact O-OE1 3.48Å; F213-Q239 HydrophobicContact CE1-CB 4.09Å; F213-Q239 HydrophobicContact CE2-CB 4.18Å; F213-Q239 HydrophobicContact CZ-CB 3.75Å; S235-Q239 WeakPolarHBondContact O-CG 3.43Å; S235-Q239 PolarHBondContact O-N 3.03Å; S235-Q239 PolarHBondContact O-NE2 3.46Å; V236-Q239 PolarHBondContact O-N 3.32Å; Q239-R241 VanDerWaalsContact C-N 3.29Å; Q239-R241 PolarHBondContact O-N 3.04Å; Q239-N242 WeakPolarHBondContact O-CB 3.4Å; Q239-N242 PolarHBondContact O-N 3.25Å; Q239-N242 VanDerWaalsContact O-N 3.16Å; Q239-C243 PolarHBondContact O-N 3.13Å; Q239-C243 PolarHBondContact O-SG 3.31Å; Q239-C243 VanDerWaalsContact O-SG 3.39Å |
| 240 | L | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 174 | -76.7 | 173.3 | 0 | 0 | 0 | 111.4 | F213 I223 V236 N242 C243 L244 L260 L261 A264 | F213-L240 HydrophobicContact CE2-CD2 4.35Å; F213-L240 HydrophobicContact CZ-CD2 4.38Å; F213-L240 HydrophobicContact CZ-CG 4.37Å; I223-L240 HydrophobicContact CD1-CD2 3.95Å; I223-L240 HydrophobicContact CG1-CD1 4.24Å; I223-L240 HydrophobicContact CG1-CD2 3.97Å; V236-L240 HydrophobicContact CG1-CD1 4.13Å; V236-L240 HydrophobicContact CG1-CG 4.43Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 WeakPolarHBondContact O-CG 3.48Å; V236-L240 PolarHBondContact O-N 3.48Å; L240-N242 VanDerWaalsContact C-N 3.28Å; L240-N242 PolarHBondContact O-N 3.22Å; L240-C243 PolarHBondContact O-N 2.92Å; L240-L244 WeakPolarHBondContact O-CB 3.41Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.49Å; L240-L244 PolarHBondContact O-N 3.36Å; L240-L260 HydrophobicContact CD1-CB 4.09Å; L240-L261 HydrophobicContact CD2-CD1 4.39Å; L240-A264 HydrophobicContact CB-CB 3.59Å |
| 241 | R | 91.7 | Very high | 87.7 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 177.2 | -177.1 | 177.2 | -64.3 | 119.3 | 4.1 | 111.8 | V237 E238 Q239 Q245 L263 A264 | V237-R241 VanDerWaalsContact CG1-NH2 3.35Å; V237-R241 VanDerWaalsContact O-CB 3.28Å; V237-R241 WeakPolarHBondContact O-CB 3.37Å; V237-R241 PolarHBondContact O-N 3.46Å; E238-R241 PolarHBondContact O-N 3.08Å; E238-R241 IonicContact OE2-CZ 2.94Å; E238-R241 IonicContact OE2-NH1 3.57Å; E238-R241 PolarHBondContact OE2-NH1 2.94Å; Q239-R241 VanDerWaalsContact C-N 3.29Å; Q239-R241 PolarHBondContact O-N 3.04Å; R241-Q245 WeakPolarHBondContact O-CG 3.41Å; R241-Q245 PolarHBondContact O-N 2.59Å; R241-L263 PolarHBondContact NH2-O 2.98Å; R241-A264 HydrophobicContact CB-CB 4.27Å; R241-A264 PolarHBondContact NE-O 3.35Å |
| 242 | N | 89.1 | Confident | 87.9 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 173.8 | -68 | -29.7 | 0 | 0 | 0 | 110.7 | E238 Q239 L240 L244 Q245 T246 | E238-N242 PolarHBondContact O-N 3.06Å; E238-N242 PolarHBondContact O-ND2 3.01Å; Q239-N242 WeakPolarHBondContact O-CB 3.4Å; Q239-N242 PolarHBondContact O-N 3.25Å; Q239-N242 VanDerWaalsContact O-N 3.16Å; L240-N242 VanDerWaalsContact C-N 3.28Å; L240-N242 PolarHBondContact O-N 3.22Å; N242-L244 VanDerWaalsContact C-N 3.31Å; N242-L244 PolarHBondContact O-N 2.97Å; N242-Q245 PolarHBondContact O-N 3.01Å; N242-T246 PolarHBondContact O-N 3.41Å; N242-T246 PolarHBondContact O-OG1 3.43Å |
| 243 | C | 87.8 | Confident | 88.1 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -40.9 | 178.2 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | T215 I221 Q239 L240 Q245 D247 I251 | T215-C243 HydrophobicContact CG2-CB 4.47Å; I221-C243 HydrophobicContact CD1-CB 4.43Å; Q239-C243 PolarHBondContact O-N 3.13Å; Q239-C243 PolarHBondContact O-SG 3.31Å; Q239-C243 VanDerWaalsContact O-SG 3.39Å; L240-C243 PolarHBondContact O-N 2.92Å; C243-Q245 PolarHBondContact O-N 3.44Å; C243-D247 PolarHBondContact O-N 2.92Å; C243-D247 VanDerWaalsContact O-N 3.11Å; C243-I251 HydrophobicContact CB-CD1 4.39Å |
| 244 | L | 88.8 | Confident | 88.4 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -26.1 | 177.2 | -70.7 | 178.3 | 0 | 0 | 0 | 113 | L240 N242 I251 L261 A264 A265 W311 F333 | L240-L244 WeakPolarHBondContact O-CB 3.41Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.49Å; L240-L244 PolarHBondContact O-N 3.36Å; N242-L244 VanDerWaalsContact C-N 3.31Å; N242-L244 PolarHBondContact O-N 2.97Å; L244-I251 HydrophobicContact CD2-CD1 4.24Å; L244-L261 HydrophobicContact CD1-CD1 4.18Å; L244-L261 HydrophobicContact CD2-CD1 4.09Å; L244-L261 HydrophobicContact CG-CD1 4.43Å; L244-A264 HydrophobicContact CD1-CB 3.92Å; L244-A265 HydrophobicContact CD1-CB 4.38Å; L244-W311 HydrophobicContact CD1-CZ2 4.11Å; L244-W311 HydrophobicContact CD2-CH2 4.21Å; L244-W311 HydrophobicContact CD2-CZ2 3.95Å; L244-F333 HydrophobicContact CD2-CB 4.39Å; L244-F333 HydrophobicContact CD2-CD1 4.28Å; L244-F333 HydrophobicContact CD2-CD2 3.31Å; L244-F333 HydrophobicContact CD2-CE1 4.37Å; L244-F333 HydrophobicContact CD2-CE2 3.42Å; L244-F333 VanDerWaalsContact CD2-CE2 3.42Å; L244-F333 HydrophobicContact CD2-CG 3.77Å; L244-F333 HydrophobicContact CD2-CZ 3.97Å |
| 245 | Q | 83.6 | Confident | 88.7 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 69% | 0.692 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -92.7 | -34.6 | -180 | -69.7 | 177.6 | 6.9 | 0 | 0 | 113.1 | R241 N242 C243 | R241-Q245 WeakPolarHBondContact O-CG 3.41Å; R241-Q245 PolarHBondContact O-N 2.59Å; N242-Q245 PolarHBondContact O-N 3.01Å; C243-Q245 PolarHBondContact O-N 3.44Å |
| 246 | T | 73.5 | Confident | 89.1 | Confident | 100 Ų | 100 | 41.2 Ų | 41.2 | 61% | 0.613 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -92 | -30.8 | -171.7 | 47.9 | 0 | 0 | 0 | 0 | 113.7 | N242 | N242-T246 PolarHBondContact O-N 3.41Å; N242-T246 PolarHBondContact O-OG1 3.43Å |
| 247 | D | 65.3 | Low | 89.3 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | trans | -134.3 | 162.2 | -158.6 | -61 | -67.4 | 0 | 0 | 0 | 114.5 | T215 C243 F333 | T215-D247 HydrophobicContact CG2-CB 3.47Å; T215-D247 VanDerWaalsContact CG2-CB 3.47Å; T215-D247 VanDerWaalsContact CG2-CG 3.44Å; T215-D247 VanDerWaalsContact CG2-OD2 3.27Å; T215-D247 WeakPolarHBondContact CG2-OD2 3.42Å; T215-D247 PolarHBondContact OG1-OD1 3.33Å; T215-D247 PolarHBondContact OG1-OD2 3.17Å; C243-D247 PolarHBondContact O-N 2.92Å; C243-D247 VanDerWaalsContact O-N 3.11Å; D247-F333 WeakPolarHBondContact O-CZ 3.38Å | ||
| 248 | R | 74.9 | Confident | 89.5 | Confident | 203 Ų | 203 | 40.7 Ų | 40.7 | 77% | 0.766 | 19% | 0.193 | S | C | * | . | trans | -121.1 | 20.2 | -179.1 | -59.7 | -170.1 | 177.8 | -167.5 | -2.5 | 113.6 | L331 P332 | R248-L331 HydrophobicContact CG-CD2 4.04Å; R248-P332 WeakPolarHBondContact O-CG 3.45Å | ||
| 249 | V | 86.9 | Confident | 89.7 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 17% | 0.17 | 17% | 0.173 | C | C | . | . | trans | -71.9 | 146.9 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | T215 D219 I221 I251 F333 | T215-V249 HydrophobicContact CG2-CG1 4.35Å; T215-V249 HydrophobicContact CG2-CG2 3.44Å; T215-V249 VanDerWaalsContact CG2-CG2 3.44Å; D219-V249 WeakPolarHBondContact O-CB 3.44Å; I221-V249 HydrophobicContact CD1-CG2 4.41Å; I221-V249 HydrophobicContact CG1-CG2 4.5Å; V249-I251 PolarHBondContact O-N 3.04Å; V249-F333 VanDerWaalsContact O-CE1 3.26Å; V249-F333 WeakPolarHBondContact O-CE1 3.31Å | ||
| 250 | P | 91.2 | Very high | 90 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | trans | -57.6 | 134.6 | 176 | -27.7 | 36.9 | 0 | 0 | 0 | 113.4 | D219 G220 I221 P332 F356 M359 F360 | D219-P250 WeakPolarHBondContact O-CD 3.17Å; G220-P250 CarbonylContact C-O 3.54Å; G220-P250 VanDerWaalsContact CA-O 3.32Å; G220-P250 WeakPolarHBondContact CA-O 3.22Å; I221-P250 PolarHBondContact N-O 2.91Å; P250-P332 CarbonylContact C-O 3.57Å; P250-P332 VanDerWaalsContact CA-O 3.28Å; P250-P332 WeakPolarHBondContact CA-O 3.47Å; P250-P332 HydrophobicContact CB-CB 4.3Å; P250-P332 HydrophobicContact CG-CB 4.22Å; P250-P332 HydrophobicContact CG-CG 4.38Å; P250-F356 HydrophobicContact CB-CD2 4.28Å; P250-F356 HydrophobicContact CB-CE2 3.86Å; P250-M359 HydrophobicContact CB-CB 4.13Å; P250-M359 HydrophobicContact CB-CE 4.43Å; P250-M359 HydrophobicContact CG-CB 4.06Å; P250-F360 HydrophobicContact CB-CE1 4.4Å; P250-F360 HydrophobicContact CB-CE2 4.31Å; P250-F360 HydrophobicContact CB-CZ 4.17Å; P250-F360 HydrophobicContact CG-CD1 3.98Å; P250-F360 HydrophobicContact CG-CD2 4.33Å; P250-F360 HydrophobicContact CG-CE1 4.08Å; P250-F360 HydrophobicContact CG-CE2 4.41Å; P250-F360 HydrophobicContact CG-CG 4.12Å; P250-F360 HydrophobicContact CG-CZ 4.28Å | ||
| 251 | I | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.1 | 173.6 | -54.2 | -178.3 | 0 | 0 | 0 | 109.5 | I221 C243 L244 V249 L261 P332 F333 F334 | I221-I251 HydrophobicContact CB-CG1 4.26Å; I221-I251 WeakPolarHBondContact O-CA 3.4Å; C243-I251 HydrophobicContact CB-CD1 4.39Å; L244-I251 HydrophobicContact CD2-CD1 4.24Å; V249-I251 PolarHBondContact O-N 3.04Å; I251-L261 HydrophobicContact CG2-CD1 4.2Å; I251-P332 PolarHBondContact N-O 2.75Å; I251-F333 HydrophobicContact CB-CD1 3.83Å; I251-F333 HydrophobicContact CD1-CD1 3.8Å; I251-F333 HydrophobicContact CD1-CE1 3.79Å; I251-F333 HydrophobicContact CG1-CD1 3.66Å; I251-F333 HydrophobicContact CG1-CE1 3.89Å; I251-F334 PolarHBondContact O-N 3.03Å |
| 252 | M | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.7 | 168.9 | 178.8 | 175.8 | 178.6 | 0 | 0 | 109.7 | I221 F222 I223 V254 F334 P340 L352 F353 F356 | I221-M252 PolarHBondContact O-N 2.76Å; I221-M252 VanDerWaalsContact O-N 3.09Å; F222-M252 CarbonylContact C-O 3.56Å; F222-M252 VanDerWaalsContact CA-O 3.28Å; F222-M252 WeakPolarHBondContact CA-O 3.46Å; F222-M252 HydrophobicContact CD2-CB 3.98Å; F222-M252 HydrophobicContact CD2-CG 4.05Å; F222-M252 HydrophobicContact CD2-SD 4.12Å; F222-M252 HydrophobicContact CE2-CB 4.26Å; F222-M252 HydrophobicContact CE2-CE 4.06Å; F222-M252 HydrophobicContact CE2-CG 3.79Å; F222-M252 HydrophobicContact CE2-SD 3.59Å; F222-M252 VanDerWaalsContact CE2-SD 3.59Å; I223-M252 PolarHBondContact N-O 2.84Å; M252-V254 HydrophobicContact CE-CG2 4.18Å; M252-F334 WeakPolarHBondContact CA-O 3.22Å; M252-F334 HydrophobicContact CB-CE1 3.93Å; M252-F334 HydrophobicContact CB-CZ 4.01Å; M252-F334 HydrophobicContact CE-CE2 4.23Å; M252-F334 HydrophobicContact CE-CZ 4.17Å; M252-F334 HydrophobicContact CG-CE1 4.06Å; M252-F334 HydrophobicContact CG-CE2 3.97Å; M252-F334 HydrophobicContact CG-CZ 3.6Å; M252-F334 HydrophobicContact SD-CE1 4.34Å; M252-F334 HydrophobicContact SD-CE2 4.18Å; M252-F334 HydrophobicContact SD-CZ 3.57Å; M252-F334 VanDerWaalsContact SD-CZ 3.57Å; M252-P340 HydrophobicContact CE-CG 4Å; M252-L352 HydrophobicContact CE-CB 4.03Å; M252-F353 HydrophobicContact CE-CE1 4.39Å; M252-F353 HydrophobicContact CE-CZ 4.41Å; M252-F356 HydrophobicContact CB-CB 4.45Å; M252-F356 HydrophobicContact CB-CD1 4.4Å; M252-F356 HydrophobicContact CB-CD2 3.44Å; M252-F356 VanDerWaalsContact CB-CD2 3.44Å; M252-F356 HydrophobicContact CB-CE2 3.62Å; M252-F356 HydrophobicContact CB-CG 3.86Å; M252-F356 HydrophobicContact CB-CZ 4.19Å; M252-F356 HydrophobicContact SD-CB 3.72Å; M252-F356 HydrophobicContact SD-CD1 4.39Å; M252-F356 HydrophobicContact SD-CD2 4.46Å; M252-F356 HydrophobicContact SD-CG 3.96Å |
| 253 | A | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I223 G257 L261 F334 S335 V336 | I223-A253 HydrophobicContact CB-CB 3.86Å; I223-A253 HydrophobicContact CG1-CB 4.3Å; I223-A253 WeakPolarHBondContact O-CA 3.38Å; A253-G257 VanDerWaalsContact CB-O 3.32Å; A253-G257 WeakPolarHBondContact CB-O 3.42Å; A253-L261 HydrophobicContact CB-CB 4.23Å; A253-L261 HydrophobicContact CB-CD2 4.27Å; A253-F334 PolarHBondContact N-O 3.17Å; A253-S335 CarbonylContact O-C 3.6Å; A253-S335 WeakPolarHBondContact O-CA 3.47Å; A253-S335 WeakPolarHBondContact O-CB 3.33Å; A253-V336 PolarHBondContact O-N 2.88Å |
| 254 | V | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.2 | -172.6 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | F222 I223 S224 N225 M252 L256 G257 V336 F338 P340 | F222-V254 HydrophobicContact CE1-CG2 4.25Å; F222-V254 HydrophobicContact CE2-CG2 4.39Å; F222-V254 HydrophobicContact CZ-CG2 3.65Å; I223-V254 PolarHBondContact O-N 3.01Å; S224-V254 CarbonylContact C-O 3.47Å; S224-V254 VanDerWaalsContact O-O 3.11Å; N225-V254 VanDerWaalsContact CA-O 3.3Å; N225-V254 WeakPolarHBondContact CA-O 3.45Å; N225-V254 HydrophobicContact CB-CG1 4.43Å; N225-V254 PolarHBondContact N-O 2.8Å; M252-V254 HydrophobicContact CE-CG2 4.18Å; V254-L256 PolarHBondContact O-N 2.83Å; V254-L256 VanDerWaalsContact O-N 3.09Å; V254-G257 WeakPolarHBondContact O-CA 3.37Å; V254-G257 PolarHBondContact O-N 3.26Å; V254-V336 CarbonylContact C-O 3.59Å; V254-V336 VanDerWaalsContact CA-O 3.32Å; V254-V336 WeakPolarHBondContact CA-O 3.45Å; V254-V336 HydrophobicContact CG2-CG2 4.38Å; V254-F338 WeakPolarHBondContact CG1-O 3.32Å; V254-P340 HydrophobicContact CG2-CG 4.26Å |
| 255 | C | 96.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -108.4 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 113.2 | N225 G257 H258 Q259 N297 V336 Q337 | N225-C255 HydrophobicContact CB-CB 3.71Å; C255-G257 PolarHBondContact O-N 3.14Å; C255-H258 VanDerWaalsContact O-CB 3.29Å; C255-H258 WeakPolarHBondContact O-CB 3.39Å; C255-H258 PolarHBondContact O-N 3.47Å; C255-Q259 PolarHBondContact O-N 3.13Å; C255-N297 PolarHBondContact SG-O 2.94Å; C255-N297 VanDerWaalsContact SG-O 3.38Å; C255-V336 PolarHBondContact N-O 2.74Å; C255-Q337 VanDerWaalsContact CA-O 3.31Å; C255-Q337 WeakPolarHBondContact CA-O 3.22Å; C255-Q337 WeakPolarHBondContact CB-O 3.22Å |
| 256 | L | 96.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.2 | -39.3 | 173.1 | -178.2 | 64.2 | 0 | 0 | 0 | 111.5 | V161 C187 G226 P230 V254 H258 Q259 L260 | V161-L256 HydrophobicContact CG2-CD2 3.31Å; C187-L256 HydrophobicContact CB-CD2 4.09Å; G226-L256 WeakPolarHBondContact O-CB 3.42Å; P230-L256 HydrophobicContact CB-CD1 3.76Å; V254-L256 PolarHBondContact O-N 2.83Å; V254-L256 VanDerWaalsContact O-N 3.09Å; L256-H258 VanDerWaalsContact C-N 3.27Å; L256-H258 PolarHBondContact O-N 3.29Å; L256-Q259 WeakPolarHBondContact O-CB 3.47Å; L256-Q259 PolarHBondContact O-N 3.14Å; L256-Q259 VanDerWaalsContact O-N 3.1Å; L256-L260 HydrophobicContact CD1-CG 4.48Å; L256-L260 HydrophobicContact CG-CD1 4.13Å; L256-L260 HydrophobicContact CG-CG 4.28Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.49Å |
| 257 | G | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.4 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S224 A253 V254 C255 Q259 L260 L261 | S224-G257 PolarHBondContact O-N 3.49Å; S224-G257 VanDerWaalsContact O-N 3.16Å; A253-G257 VanDerWaalsContact CB-O 3.32Å; A253-G257 WeakPolarHBondContact CB-O 3.42Å; V254-G257 WeakPolarHBondContact O-CA 3.37Å; V254-G257 PolarHBondContact O-N 3.26Å; C255-G257 PolarHBondContact O-N 3.14Å; G257-Q259 VanDerWaalsContact C-N 3.32Å; G257-Q259 PolarHBondContact O-N 3.34Å; G257-L260 PolarHBondContact O-N 3.4Å; G257-L261 WeakPolarHBondContact O-CB 3.49Å; G257-L261 PolarHBondContact O-N 3.13Å |
| 258 | H | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 174.7 | 160.6 | 83.4 | 0 | 0 | 0 | 111.6 | C255 L256 L261 A262 V302 N323 S335 V336 Q337 | C255-H258 VanDerWaalsContact O-CB 3.29Å; C255-H258 WeakPolarHBondContact O-CB 3.39Å; C255-H258 PolarHBondContact O-N 3.47Å; L256-H258 VanDerWaalsContact C-N 3.27Å; L256-H258 PolarHBondContact O-N 3.29Å; H258-L261 PolarHBondContact O-N 3.41Å; H258-A262 WeakPolarHBondContact O-CB 3.29Å; H258-A262 PolarHBondContact O-N 3.37Å; H258-V302 WeakPolarHBondContact NE2-CG2 3.38Å; H258-N323 PolarHBondContact CE1-OD1 3.02Å; H258-N323 PolarHBondContact NE2-OD1 3.19Å; H258-S335 PolarHBondContact ND1-OG 2.94Å; H258-V336 VanDerWaalsContact CB-O 3.23Å; H258-V336 WeakPolarHBondContact CB-O 3.39Å; H258-Q337 PolarHBondContact CD2-OE1 3.06Å; H258-Q337 VanDerWaalsContact CD2-OE1 3.29Å |
| 259 | Q | 97.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.5 | -61.1 | 162 | 14.6 | 0 | 0 | 111.9 | P230 C255 L256 G257 A262 L263 T269 Y300 V302 Q337 | P230-Q259 HydrophobicContact CB-CB 3.88Å; P230-Q259 HydrophobicContact CG-CB 4.03Å; C255-Q259 PolarHBondContact O-N 3.13Å; L256-Q259 WeakPolarHBondContact O-CB 3.47Å; L256-Q259 PolarHBondContact O-N 3.14Å; L256-Q259 VanDerWaalsContact O-N 3.1Å; G257-Q259 VanDerWaalsContact C-N 3.32Å; G257-Q259 PolarHBondContact O-N 3.34Å; Q259-A262 PolarHBondContact O-N 3.01Å; Q259-L263 WeakPolarHBondContact O-CG 3.47Å; Q259-L263 PolarHBondContact O-N 2.97Å; Q259-T269 HydrophobicContact CB-CG2 3.98Å; Q259-T269 HydrophobicContact CG-CG2 4.39Å; Q259-Y300 PolarHBondContact NE2-O 3Å; Q259-V302 HydrophobicContact CB-CG2 4.5Å; Q259-V302 HydrophobicContact CG-CG2 4.26Å; Q259-Q337 VanDerWaalsContact NE2-NE2 3.12Å |
| 260 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.6 | -63.8 | 173.9 | 0 | 0 | 0 | 111.9 | I223 P230 C233 V236 V237 L240 L256 G257 L263 A264 | I223-L260 HydrophobicContact CG2-CD1 4.44Å; P230-L260 HydrophobicContact CB-CD2 4Å; P230-L260 WeakPolarHBondContact O-CD2 3.22Å; C233-L260 HydrophobicContact CB-CD1 4.38Å; C233-L260 HydrophobicContact CB-CD2 3.66Å; V236-L260 HydrophobicContact CB-CD1 4.31Å; V236-L260 HydrophobicContact CG1-CD1 4.06Å; V237-L260 HydrophobicContact CG2-CB 4.37Å; V237-L260 HydrophobicContact CG2-CD2 3.62Å; L240-L260 HydrophobicContact CD1-CB 4.09Å; L256-L260 HydrophobicContact CD1-CG 4.48Å; L256-L260 HydrophobicContact CG-CD1 4.13Å; L256-L260 HydrophobicContact CG-CG 4.28Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.49Å; G257-L260 PolarHBondContact O-N 3.4Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-A264 WeakPolarHBondContact O-CB 3.39Å; L260-A264 PolarHBondContact O-N 3.24Å |
| 261 | L | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.4 | -172.4 | 65.9 | 0 | 0 | 0 | 111.2 | L240 L244 I251 A253 G257 H258 A264 A265 W311 | L240-L261 HydrophobicContact CD2-CD1 4.39Å; L244-L261 HydrophobicContact CD1-CD1 4.18Å; L244-L261 HydrophobicContact CD2-CD1 4.09Å; L244-L261 HydrophobicContact CG-CD1 4.43Å; I251-L261 HydrophobicContact CG2-CD1 4.2Å; A253-L261 HydrophobicContact CB-CB 4.23Å; A253-L261 HydrophobicContact CB-CD2 4.27Å; G257-L261 WeakPolarHBondContact O-CB 3.49Å; G257-L261 PolarHBondContact O-N 3.13Å; H258-L261 PolarHBondContact O-N 3.41Å; L261-A264 WeakPolarHBondContact O-CB 3.37Å; L261-A264 PolarHBondContact O-N 3.3Å; L261-A265 WeakPolarHBondContact O-CB 3.36Å; L261-A265 PolarHBondContact O-N 3.23Å; L261-W311 HydrophobicContact CD1-CH2 4.41Å; L261-W311 HydrophobicContact CD2-CH2 4.07Å; L261-W311 HydrophobicContact CD2-CZ3 4.25Å; L261-W311 HydrophobicContact CG-CH2 4.09Å |
| 262 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H258 Q259 A264 A265 G266 A267 V302 I326 | H258-A262 WeakPolarHBondContact O-CB 3.29Å; H258-A262 PolarHBondContact O-N 3.37Å; Q259-A262 PolarHBondContact O-N 3.01Å; A262-A264 VanDerWaalsContact C-N 3.31Å; A262-A264 PolarHBondContact O-N 2.82Å; A262-A265 WeakPolarHBondContact O-CB 3.49Å; A262-A265 PolarHBondContact O-N 3.27Å; A262-G266 PolarHBondContact O-N 3.04Å; A262-A267 HydrophobicContact CB-CB 4.17Å; A262-A267 WeakPolarHBondContact O-CB 3.22Å; A262-A267 PolarHBondContact O-N 3.34Å; A262-V302 HydrophobicContact CB-CB 4.29Å; A262-V302 HydrophobicContact CB-CG1 3.75Å; A262-V302 HydrophobicContact CB-CG2 3.46Å; A262-V302 VanDerWaalsContact CB-CG2 3.46Å; A262-I326 HydrophobicContact CB-CD1 3.8Å |
| 263 | L | 97.2 | Very high | 95.8 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -36 | 173.3 | -71.3 | 174.6 | 0 | 0 | 0 | 112.3 | P230 V237 R241 Q259 L260 G266 T269 | P230-L263 HydrophobicContact CB-CD1 3.84Å; P230-L263 HydrophobicContact CG-CD1 4.33Å; V237-L263 HydrophobicContact CG1-CB 3.89Å; V237-L263 HydrophobicContact CG2-CB 4.15Å; V237-L263 HydrophobicContact CG2-CD1 4.23Å; R241-L263 PolarHBondContact NH2-O 2.98Å; Q259-L263 WeakPolarHBondContact O-CG 3.47Å; Q259-L263 PolarHBondContact O-N 2.97Å; L260-L263 PolarHBondContact O-N 2.89Å; L263-G266 PolarHBondContact O-N 2.82Å; L263-T269 HydrophobicContact CD1-CG2 4.32Å; L263-T269 HydrophobicContact CD2-CG2 4.05Å; L263-T269 HydrophobicContact CG-CG2 3.96Å |
| 264 | A | 94.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V237 L240 R241 L244 L260 L261 A262 G266 | V237-A264 HydrophobicContact CG1-CB 4.21Å; L240-A264 HydrophobicContact CB-CB 3.59Å; R241-A264 HydrophobicContact CB-CB 4.27Å; R241-A264 PolarHBondContact NE-O 3.35Å; L244-A264 HydrophobicContact CD1-CB 3.92Å; L260-A264 WeakPolarHBondContact O-CB 3.39Å; L260-A264 PolarHBondContact O-N 3.24Å; L261-A264 WeakPolarHBondContact O-CB 3.37Å; L261-A264 PolarHBondContact O-N 3.3Å; A262-A264 VanDerWaalsContact C-N 3.31Å; A262-A264 PolarHBondContact O-N 2.82Å; A264-G266 VanDerWaalsContact C-N 3.28Å; A264-G266 PolarHBondContact O-N 2.82Å |
| 265 | A | 94.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.3 | -27.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L244 L261 A262 P308 W311 | L244-A265 HydrophobicContact CD1-CB 4.38Å; L261-A265 WeakPolarHBondContact O-CB 3.36Å; L261-A265 PolarHBondContact O-N 3.23Å; A262-A265 WeakPolarHBondContact O-CB 3.49Å; A262-A265 PolarHBondContact O-N 3.27Å; A265-P308 WeakPolarHBondContact O-CG 3.05Å; A265-W311 HydrophobicContact CB-CD2 4.11Å; A265-W311 VanDerWaalsContact CB-CE2 3.48Å; A265-W311 HydrophobicContact CB-CG 4.42Å; A265-W311 HydrophobicContact CB-CZ2 3.74Å |
| 266 | G | 93.7 | Very high | 94.8 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 52% | 0.515 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 115.7 | 6.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A262 L263 A264 | A262-G266 PolarHBondContact O-N 3.04Å; L263-G266 PolarHBondContact O-N 2.82Å; A264-G266 VanDerWaalsContact C-N 3.28Å; A264-G266 PolarHBondContact O-N 2.82Å |
| 267 | A | 95.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 5% | 0.05 | 16% | 0.161 | C | C | . | . | trans | -75 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | A262 V302 L307 | A262-A267 HydrophobicContact CB-CB 4.17Å; A262-A267 WeakPolarHBondContact O-CB 3.22Å; A262-A267 PolarHBondContact O-N 3.34Å; A267-V302 HydrophobicContact CB-CG1 4.2Å; A267-L307 HydrophobicContact CB-CD2 3.82Å; A267-L307 HydrophobicContact CB-CG 4.34Å | ||
| 268 | K | 96 | Very high | 93.5 | Very high | 136 Ų | 136 | 32.2 Ų | 32.2 | 59% | 0.591 | 16% | 0.161 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 156.8 | 174.7 | -62.5 | -177.7 | -174.2 | 169.4 | 0 | 111.3 | D303 T306 | K268-D303 HydrophobicContact CB-CB 4.45Å; K268-D303 PolarHBondContact O-N 3.36Å; K268-T306 HydrophobicContact CB-CG2 4.35Å; K268-T306 HydrophobicContact CD-CG2 4.14Å; K268-T306 HydrophobicContact CG-CG2 4.25Å; K268-T306 PolarHBondContact N-OG1 3.15Å |
| 269 | T | 96.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 20% | 0.202 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 156.7 | 170.4 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | P230 Q259 L263 A301 V302 | P230-T269 HydrophobicContact CG-CG2 3.99Å; Q259-T269 HydrophobicContact CB-CG2 3.98Å; Q259-T269 HydrophobicContact CG-CG2 4.39Å; L263-T269 HydrophobicContact CD1-CG2 4.32Å; L263-T269 HydrophobicContact CD2-CG2 4.05Å; L263-T269 HydrophobicContact CG-CG2 3.96Å; T269-A301 CarbonylContact C-O 3.56Å; T269-A301 WeakPolarHBondContact CA-O 3.35Å; T269-V302 HydrophobicContact CG2-CG2 4.12Å |
| 270 | Y | 95.4 | Very high | 92.3 | Very high | 100 Ų | 100 | 33.1 Ų | 33.1 | 39% | 0.392 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 155.1 | 176.8 | 65.6 | -84.8 | 0 | 0 | 0 | 110.9 | M272 Y300 A301 D303 | Y270-M272 HydrophobicContact CE2-CG 4.28Å; Y270-Y300 CarbonylContact O-C 3.3Å; Y270-Y300 VanDerWaalsContact O-CA 3.22Å; Y270-Y300 WeakPolarHBondContact O-CA 3.27Å; Y270-A301 WeakPolarHBondContact CD1-O 3.27Å; Y270-A301 HydrophobicContact CE1-CB 3.89Å; Y270-A301 HydrophobicContact CE2-CB 4.28Å; Y270-A301 PolarHBondContact N-O 2.9Å; Y270-A301 PolarHBondContact O-N 3.13Å; Y270-D303 HydrophobicContact CD1-CB 4.19Å; Y270-D303 HydrophobicContact CE1-CB 4.39Å |
| 271 | R | 94 | Very high | 92 | Very high | 107 Ų | 107 | 33.2 Ų | 33.2 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129.6 | 175.2 | -169.8 | 174.6 | 179.7 | 173.8 | -0.2 | 109.7 | E27 D154 N156 Y300 | E27-R271 IonicContact OE1-CZ 3.99Å; E27-R271 IonicContact OE1-NH2 2.98Å; E27-R271 PolarHBondContact OE1-NH2 2.8Å; D154-R271 IonicContact OD1-NH1 3.55Å; N156-R271 PolarHBondContact ND2-NH2 2.99Å; R271-Y300 HydrophobicContact CB-CD1 3.91Å; R271-Y300 HydrophobicContact CB-CE1 3.56Å; R271-Y300 HydrophobicContact CG-CD1 4.38Å; R271-Y300 HydrophobicContact CG-CE1 3.9Å |
| 272 | M | 93.5 | Very high | 91.8 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 158 | 173.8 | -61 | 179.4 | 79.2 | 0 | 0 | 110.7 | Y270 H298 G299 A301 T322 | Y270-M272 HydrophobicContact CE2-CG 4.28Å; M272-H298 PolarHBondContact SD-CE1 3.43Å; M272-H298 PolarHBondContact SD-ND1 2.94Å; M272-G299 PolarHBondContact N-O 3.42Å; M272-A301 HydrophobicContact CG-CB 3.98Å; M272-A301 HydrophobicContact SD-CB 3.94Å; M272-T322 HydrophobicContact CE-CG2 4.32Å |
| 273 | K | 91.1 | Very high | 91.6 | Very high | 118 Ų | 118 | 33.2 Ų | 33.2 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | -55.8 | -179.5 | -175.2 | 179.4 | -178.5 | -168.7 | 0 | 112.6 | R131 E132 G134 S135 | R131-K273 WeakPolarHBondContact O-CE 3.35Å; R131-K273 PolarHBondContact O-NZ 3.3Å; E132-K273 VanDerWaalsContact C-NZ 3.29Å; E132-K273 WeakPolarHBondContact O-CE 3.44Å; E132-K273 PolarHBondContact O-NZ 3.33Å; G134-K273 CarbonylContact C-O 3.56Å; G134-K273 WeakPolarHBondContact CA-O 3.21Å; S135-K273 PolarHBondContact N-O 3.08Å |
| 274 | F | 89.8 | Confident | 91.3 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | -7.7 | 175.9 | 62 | -94.5 | 0 | 0 | 0 | 113.2 | F30 R131 S135 R277 | F30-F274 HydrophobicContact CE1-CB 4.09Å; F30-F274 AromaticContact CE1-CD2 3.76Å; F30-F274 HydrophobicContact CE1-CD2 3.76Å; F30-F274 HydrophobicContact CE1-CG 4.09Å; F30-F274 AromaticContact CZ-CD2 3.46Å; F30-F274 HydrophobicContact CZ-CD2 3.46Å; F30-F274 VanDerWaalsContact CZ-CD2 3.46Å; F30-F274 AromaticContact CZ-CE2 3.84Å; F30-F274 HydrophobicContact CZ-CE2 3.84Å; F30-F274 HydrophobicContact CZ-CG 4.19Å; R131-F274 HydrophobicContact CG-CD1 4.41Å; R131-F274 HydrophobicContact CG-CE1 4.11Å; S135-F274 WeakPolarHBondContact OG-CA 3.44Å; S135-F274 PolarHBondContact OG-O 2.66Å; F274-R277 PolarHBondContact O-NH1 3.15Å |
| 275 | G | 89.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66 | 168.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | H298 | G275-H298 CarbonylContact C-O 3.39Å; G275-H298 VanDerWaalsContact CA-O 3.27Å; G275-H298 WeakPolarHBondContact CA-O 3.39Å |
| 276 | H | 89.7 | Confident | 90.7 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.8 | 177.6 | -63.4 | 157.2 | 0 | 0 | 0 | 110.6 | Q281 Q296 N297 H298 N317 D320 E324 | H276-Q281 HydrophobicContact CB-CG 4.2Å; H276-Q296 HydrophobicContact CB-CB 3.78Å; H276-Q296 HydrophobicContact CB-CG 4.47Å; H276-Q296 PolarHBondContact ND1-OE1 3.35Å; H276-Q296 CarbonylContact O-C 3.53Å; H276-Q296 VanDerWaalsContact O-C 3.32Å; H276-N297 VanDerWaalsContact O-CA 3.26Å; H276-N297 WeakPolarHBondContact O-CA 3.42Å; H276-N297 PolarHBondContact O-N 2.69Å; H276-H298 PolarHBondContact N-O 3.5Å; H276-H298 AromaticContact ND1-CE1 3.94Å; H276-H298 AromaticContact ND1-NE2 3.9Å; H276-H298 PolarHBondContact O-N 3.46Å; H276-N317 PolarHBondContact CE1-ND2 3.31Å; H276-N317 PolarHBondContact ND1-ND2 3.43Å; H276-D320 IonicContact CE1-OD1 3.08Å; H276-D320 IonicContact CE1-OD2 3.11Å; H276-D320 PolarHBondContact CE1-OD2 3.18Å; H276-D320 VanDerWaalsContact CE1-OD2 3.3Å; H276-D320 IonicContact NE2-OD2 2.89Å; H276-D320 PolarHBondContact NE2-OD2 3.42Å; H276-E324 IonicContact CE1-OE1 3.92Å; H276-E324 IonicContact ND1-OE1 3.23Å; H276-E324 PolarHBondContact ND1-OE1 3.24Å |
| 277 | R | 86.5 | Confident | 90 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.038 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 67.4 | -173.1 | -70.9 | 178.7 | 173.8 | 74.8 | 9.8 | 110.9 | F30 H31 F274 Q296 H298 | F30-R277 WeakPolarHBondContact O-CB 3.29Å; H31-R277 WeakPolarHBondContact CA-O 3.38Å; H31-R277 PolarHBondContact CD2-O 2.94Å; F274-R277 PolarHBondContact O-NH1 3.15Å; R277-Q296 CarbonylContact C-O 3.51Å; R277-Q296 WeakPolarHBondContact CA-O 3.32Å; R277-H298 PolarHBondContact NH1-O 3.3Å |
| 278 | S | 80.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 171.4 | -178.4 | 76.2 | 0 | 0 | 0 | 0 | 112.1 | T32 N280 Q281 S295 Q296 | T32-S278 WeakPolarHBondContact OG1-CB 3.37Å; S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact OG-N 3.49Å; S278-Q281 PolarHBondContact OG-NE2 3.32Å; S278-S295 CarbonylContact O-C 3.56Å; S278-S295 WeakPolarHBondContact O-CA 3.49Å; S278-Q296 PolarHBondContact N-O 3.07Å; S278-Q296 VanDerWaalsContact N-O 3.07Å; S278-Q296 PolarHBondContact O-N 3.04Å |
| 279 | H | 83.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 16 | 176.6 | -58.3 | 171 | 0 | 0 | 0 | 112.8 | H31 T294 S295 H342 C344 P346 F619 | H31-H279 AromaticContact CE1-CD2 3.71Å; H31-H279 AromaticContact CE1-CE1 3.72Å; H31-H279 AromaticContact CE1-NE2 3.37Å; H31-H279 PolarHBondContact CE1-NE2 3.11Å; H31-H279 AromaticContact NE2-CD2 3.49Å; H31-H279 PolarHBondContact NE2-CD2 3Å; H31-H279 AromaticContact NE2-NE2 3.33Å; H31-H279 PolarHBondContact NE2-NE2 2.8Å; H279-T294 CarbonylContact C-O 3.56Å; H279-S295 PolarHBondContact CD2-OG 3.38Å; H279-S295 VanDerWaalsContact CD2-OG 3.3Å; H279-H342 AromaticContact CD2-CE1 3.86Å; H279-H342 AromaticContact CE1-CE1 3.84Å; H279-H342 AromaticContact NE2-CE1 3.16Å; H279-H342 PolarHBondContact NE2-CE1 3.36Å; H279-H342 AromaticContact NE2-ND1 3.84Å; H279-H342 AromaticContact NE2-NE2 3.72Å; H279-C344 PolarHBondContact CE1-O 3.18Å; H279-C344 PolarHBondContact ND1-O 2.98Å; H279-C344 VanDerWaalsContact ND1-O 3.15Å; H279-P346 VanDerWaalsContact O-CD 3.23Å; H279-P346 WeakPolarHBondContact O-CD 3.5Å; H279-P346 WeakPolarHBondContact O-CG 3.32Å; H279-F619 HydrophobicContact CB-CZ 4.21Å; H279-F619 AromaticContact ND1-CZ 3.86Å |
| 280 | N | 86.5 | Confident | 87.9 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 38.5 | -163.3 | -168.1 | 45.4 | 0 | 0 | 0 | 113.9 | S278 P282 I293 T294 E704 | S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact OG-N 3.49Å; N280-P282 WeakPolarHBondContact O-CD 3.18Å; N280-I293 WeakPolarHBondContact OD1-CG2 3.36Å; N280-T294 PolarHBondContact N-O 3.24Å; N280-E704 VanDerWaalsContact CG-O 3.27Å; N280-E704 PolarHBondContact ND2-N 3.12Å; N280-E704 PolarHBondContact ND2-O 3.25Å; N280-E704 WeakPolarHBondContact OD1-CA 3.46Å; N280-E704 WeakPolarHBondContact OD1-CB 3.33Å; N280-E704 PolarHBondContact OD1-N 2.85Å |
| 281 | Q | 89.5 | Confident | 87.6 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.5 | -179.9 | -62.6 | -62.4 | -23.3 | 0 | 0 | 111 | H276 S278 T294 Q296 E889 | H276-Q281 HydrophobicContact CB-CG 4.2Å; S278-Q281 PolarHBondContact OG-NE2 3.32Å; Q281-T294 PolarHBondContact N-O 3.27Å; Q281-T294 PolarHBondContact O-N 3.03Å; Q281-T294 PolarHBondContact O-OG1 3.49Å; Q281-Q296 HydrophobicContact CB-CG 3.8Å; Q281-Q296 HydrophobicContact CG-CB 3.96Å; Q281-Q296 HydrophobicContact CG-CG 3.72Å; Q281-E889 PolarHBondContact NE2-OE1 3Å |
| 282 | P | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.7 | 178.2 | 27.6 | -31.1 | 0 | 0 | 0 | 112.5 | N280 C291 F292 I293 N317 A318 N319 T700 C702 | N280-P282 WeakPolarHBondContact O-CD 3.18Å; P282-C291 VanDerWaalsContact CB-SG 3.53Å; P282-F292 WeakPolarHBondContact CA-O 3.44Å; P282-I293 HydrophobicContact CB-CD1 4.25Å; P282-N317 WeakPolarHBondContact O-CA 3.43Å; P282-A318 HydrophobicContact CB-CB 3.96Å; P282-A318 HydrophobicContact CG-CB 4.04Å; P282-A318 PolarHBondContact O-N 2.94Å; P282-N319 VanDerWaalsContact CG-ND2 3.35Å; P282-N319 WeakPolarHBondContact CG-ND2 3.09Å; P282-T700 HydrophobicContact CB-CG2 4.08Å; P282-T700 HydrophobicContact CG-CG2 3.73Å; P282-C702 VanDerWaalsContact CB-O 3.25Å; P282-C702 WeakPolarHBondContact CB-O 3.26Å |
| 283 | C | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.9 | 178.7 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | C291 F292 T294 Q296 F315 S316 F338 | C283-C291 WeakPolarHBondContact O-CA 3.12Å; C283-F292 PolarHBondContact N-O 3.15Å; C283-F292 PolarHBondContact O-N 2.62Å; C283-T294 HydrophobicContact CB-CG2 4.05Å; C283-T294 PolarHBondContact SG-OG1 3Å; C283-T294 VanDerWaalsContact SG-OG1 3.33Å; C283-Q296 PolarHBondContact SG-NE2 3.06Å; C283-Q296 VanDerWaalsContact SG-NE2 3.42Å; C283-F315 HydrophobicContact CB-CD1 4.3Å; C283-S316 CarbonylContact C-O 3.58Å; C283-S316 WeakPolarHBondContact CA-O 3.25Å; C283-F338 HydrophobicContact CB-CD1 4.38Å; C283-F338 HydrophobicContact CB-CE1 4.22Å |
| 284 | M | 91.8 | Very high | 87.2 | Confident | 35 Ų | 35 | 16 Ų | 16 | 17% | 0.172 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.8 | 172.5 | -68.8 | -59.1 | -65.4 | 0 | 0 | 110.6 | C291 F315 S316 A318 P689 | M284-C291 HydrophobicContact SD-CB 3.64Å; M284-F315 VanDerWaalsContact O-CA 3.25Å; M284-F315 WeakPolarHBondContact O-CA 3.42Å; M284-S316 PolarHBondContact N-O 2.73Å; M284-S316 PolarHBondContact O-N 3.47Å; M284-A318 HydrophobicContact CG-CB 3.91Å; M284-P689 HydrophobicContact CE-CB 4.03Å; M284-P689 HydrophobicContact CE-CG 4.24Å; M284-P689 HydrophobicContact SD-CB 3.42Å; M284-P689 WeakPolarHBondContact SD-CB 3.14Å; M284-P689 HydrophobicContact SD-CG 3.66Å |
| 285 | L | 89.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.6 | 168.2 | 172.9 | 68.5 | 0 | 0 | 0 | 110 | G287 S288 R290 F292 L314 F315 V369 L374 | L285-G287 PolarHBondContact O-N 3.43Å; L285-S288 WeakPolarHBondContact CB-OG 3.34Å; L285-S288 PolarHBondContact O-N 3.27Å; L285-S288 PolarHBondContact O-OG 2.71Å; L285-R290 HydrophobicContact CB-CB 4.44Å; L285-R290 PolarHBondContact N-O 2.88Å; L285-F292 HydrophobicContact CB-CE2 4.09Å; L285-F292 HydrophobicContact CD2-CE2 4.39Å; L285-L314 HydrophobicContact CD1-CD1 4.09Å; L285-L314 HydrophobicContact CD1-CG 4.49Å; L285-F315 HydrophobicContact CB-CD1 4.15Å; L285-F315 HydrophobicContact CB-CE1 3.8Å; L285-F315 HydrophobicContact CD1-CD1 4.33Å; L285-F315 HydrophobicContact CD1-CE1 3.8Å; L285-F315 HydrophobicContact CD1-CE2 4.32Å; L285-F315 HydrophobicContact CD1-CZ 3.79Å; L285-F315 HydrophobicContact CG-CE1 4.38Å; L285-V369 HydrophobicContact CD1-CG1 4.1Å; L285-V369 HydrophobicContact CD2-CG1 3.65Å; L285-V369 HydrophobicContact CG-CG1 4.34Å; L285-L374 HydrophobicContact CD2-CB 4.41Å; L285-L374 HydrophobicContact CD2-CD1 3.65Å |
| 286 | S | 86.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 14.7 Ų | 14.7 | 38% | 0.378 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 132.9 | -177.6 | -70.1 | 0 | 0 | 0 | 0 | 113 | S288 T313 L314 | S286-S288 VanDerWaalsContact C-N 3.3Å; S286-S288 PolarHBondContact O-N 3.37Å; S286-T313 WeakPolarHBondContact CB-O 3.41Å; S286-T313 PolarHBondContact OG-O 3.06Å; S286-L314 WeakPolarHBondContact CB-O 3.47Å; S286-L314 PolarHBondContact N-O 3.5Å; S286-L314 PolarHBondContact OG-O 3.45Å |
| 287 | G | 78 | Confident | 87.4 | Confident | 58 Ų | 58 | 14.9 Ų | 14.9 | 60% | 0.598 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 20.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L285 R375 | L285-G287 PolarHBondContact O-N 3.43Å; G287-R375 PolarHBondContact O-NE 2.77Å; G287-R375 PolarHBondContact O-NH2 3.37Å |
| 288 | S | 78.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 14.7 Ų | 14.7 | 13% | 0.133 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -141.8 | 168.1 | 173.2 | 80.4 | 0 | 0 | 0 | 0 | 111.1 | L285 S286 R290 | L285-S288 WeakPolarHBondContact CB-OG 3.34Å; L285-S288 PolarHBondContact O-N 3.27Å; L285-S288 PolarHBondContact O-OG 2.71Å; S286-S288 VanDerWaalsContact C-N 3.3Å; S286-S288 PolarHBondContact O-N 3.37Å; S288-R290 VanDerWaalsContact C-N 3.31Å; S288-R290 WeakPolarHBondContact OG-CB 3.47Å; S288-R290 PolarHBondContact OG-N 2.94Å; S288-R290 VanDerWaalsContact OG-N 3.14Å |
| 289 | N | 80 | Confident | 88.2 | Confident | 59 Ų | 59 | 15.5 Ų | 15.5 | 32% | 0.316 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -95.2 | 19.1 | 169 | -72.4 | -13.1 | 0 | 0 | 0 | 112.4 | Y584 N586 P687 | N289-Y584 HydrophobicContact CB-CD1 3.78Å; N289-Y584 HydrophobicContact CB-CD2 4.25Å; N289-Y584 HydrophobicContact CB-CE1 4.01Å; N289-Y584 HydrophobicContact CB-CE2 4.48Å; N289-Y584 HydrophobicContact CB-CG 3.89Å; N289-N586 PolarHBondContact O-ND2 3.48Å; N289-P687 HydrophobicContact CB-CB 4.45Å |
| 290 | R | 85.8 | Confident | 88.7 | Confident | 25 Ų | 25 | 16 Ų | 16 | 9% | 0.094 | 10% | 0.104 | C | C | . | . | trans | -88.2 | 130.6 | -179.6 | -64.9 | -74.6 | -76.7 | 142 | -2 | 110.3 | L285 S288 F292 L374 Y584 D585 | L285-R290 HydrophobicContact CB-CB 4.44Å; L285-R290 PolarHBondContact N-O 2.88Å; S288-R290 VanDerWaalsContact C-N 3.31Å; S288-R290 WeakPolarHBondContact OG-CB 3.47Å; S288-R290 PolarHBondContact OG-N 2.94Å; S288-R290 VanDerWaalsContact OG-N 3.14Å; R290-F292 HydrophobicContact CB-CE2 4Å; R290-F292 HydrophobicContact CB-CZ 4.39Å; R290-L374 HydrophobicContact CG-CB 4.11Å; R290-L374 HydrophobicContact CG-CD2 3.92Å; R290-Y584 WeakPolarHBondContact CD-O 3.26Å; R290-Y584 PolarHBondContact NH1-O 3.47Å; R290-D585 PolarHBondContact NH1-O 3.41Å | ||
| 291 | C | 89.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 15.4 Ų | 15.4 | 3% | 0.034 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.4 | 175.5 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | P282 C283 M284 N586 P689 C702 | P282-C291 VanDerWaalsContact CB-SG 3.53Å; C283-C291 WeakPolarHBondContact O-CA 3.12Å; M284-C291 HydrophobicContact SD-CB 3.64Å; C291-N586 PolarHBondContact N-OD1 3.24Å; C291-N586 PolarHBondContact O-OD1 3.2Å; C291-P689 HydrophobicContact CB-CB 4.41Å; C291-P689 HydrophobicContact CB-CG 3.47Å; C291-P689 VanDerWaalsContact CB-CG 3.47Å; C291-C702 VanDerWaalsContact SG-SG 3.66Å |
| 292 | F | 89.3 | Confident | 89.6 | Confident | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.9 | 179.9 | -60.9 | -92.3 | 0 | 0 | 0 | 109.7 | P282 C283 L285 R290 T294 F315 D348 T349 F351 L374 | P282-F292 WeakPolarHBondContact CA-O 3.44Å; C283-F292 PolarHBondContact N-O 3.15Å; C283-F292 PolarHBondContact O-N 2.62Å; L285-F292 HydrophobicContact CB-CE2 4.09Å; L285-F292 HydrophobicContact CD2-CE2 4.39Å; R290-F292 HydrophobicContact CB-CE2 4Å; R290-F292 HydrophobicContact CB-CZ 4.39Å; F292-T294 HydrophobicContact CB-CG2 4.35Å; F292-F315 AromaticContact CD2-CE1 3.83Å; F292-F315 HydrophobicContact CD2-CE1 3.83Å; F292-F315 HydrophobicContact CE2-CE1 4.09Å; F292-D348 HydrophobicContact CB-CB 4.43Å; F292-D348 HydrophobicContact CD1-CB 4.28Å; F292-D348 WeakPolarHBondContact CD1-O 3.06Å; F292-T349 HydrophobicContact CB-CG2 3.62Å; F292-T349 HydrophobicContact CD1-CG2 4.12Å; F292-T349 HydrophobicContact CG-CG2 3.93Å; F292-F351 HydrophobicContact CD1-CE1 4.1Å; F292-F351 AromaticContact CE1-CE1 3.59Å; F292-F351 HydrophobicContact CE1-CE1 3.59Å; F292-F351 HydrophobicContact CE1-CZ 4.12Å; F292-F351 AromaticContact CZ-CE1 3.96Å; F292-F351 HydrophobicContact CZ-CE1 3.96Å; F292-F351 AromaticContact CZ-CZ 3.99Å; F292-F351 HydrophobicContact CZ-CZ 3.99Å; F292-L374 HydrophobicContact CZ-CD2 4.47Å |
| 293 | I | 89.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.1 | 172 | -53.3 | -53.1 | 0 | 0 | 0 | 107.8 | N280 P282 P346 C702 | N280-I293 WeakPolarHBondContact OD1-CG2 3.36Å; P282-I293 HydrophobicContact CB-CD1 4.25Å; I293-P346 HydrophobicContact CB-CB 4.47Å; I293-P346 HydrophobicContact CG2-CB 4.45Å; I293-P346 HydrophobicContact CG2-CG 4.19Å; I293-P346 WeakPolarHBondContact O-CB 3.36Å; I293-P346 VanDerWaalsContact O-CG 3.24Å; I293-P346 WeakPolarHBondContact O-CG 3.21Å; I293-C702 WeakPolarHBondContact CD1-O 3.37Å |
| 294 | T | 91.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150 | -170.7 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | H279 N280 Q281 C283 F292 Q296 F338 T349 | H279-T294 CarbonylContact C-O 3.56Å; N280-T294 PolarHBondContact N-O 3.24Å; Q281-T294 PolarHBondContact N-O 3.27Å; Q281-T294 PolarHBondContact O-N 3.03Å; Q281-T294 PolarHBondContact O-OG1 3.49Å; C283-T294 HydrophobicContact CB-CG2 4.05Å; C283-T294 PolarHBondContact SG-OG1 3Å; C283-T294 VanDerWaalsContact SG-OG1 3.33Å; F292-T294 HydrophobicContact CB-CG2 4.35Å; T294-Q296 PolarHBondContact OG1-NE2 3.35Å; T294-F338 HydrophobicContact CG2-CB 4.17Å; T294-F338 HydrophobicContact CG2-CD1 3.97Å; T294-F338 HydrophobicContact CG2-CD2 3.76Å; T294-F338 HydrophobicContact CG2-CE1 4.26Å; T294-F338 HydrophobicContact CG2-CE2 4.09Å; T294-F338 HydrophobicContact CG2-CG 3.7Å; T294-F338 HydrophobicContact CG2-CZ 4.32Å; T294-T349 HydrophobicContact CG2-CG2 3.91Å |
| 295 | S | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.7 | 165.5 | -78.6 | 0 | 0 | 0 | 0 | 111 | S278 H279 H339 H342 G345 P346 | S278-S295 CarbonylContact O-C 3.56Å; S278-S295 WeakPolarHBondContact O-CA 3.49Å; H279-S295 PolarHBondContact CD2-OG 3.38Å; H279-S295 VanDerWaalsContact CD2-OG 3.3Å; S295-H339 PolarHBondContact O-N 3.3Å; S295-H342 VanDerWaalsContact CB-CD2 3.49Å; S295-H342 WeakPolarHBondContact CB-CD2 3.25Å; S295-G345 WeakPolarHBondContact OG-CA 3.26Å; S295-P346 WeakPolarHBondContact OG-CD 3.33Å |
| 296 | Q | 91.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.6 | -178.8 | -60.2 | -163.1 | 14.9 | 0 | 0 | 111.1 | H276 R277 S278 Q281 C283 T294 H298 E324 F338 | H276-Q296 HydrophobicContact CB-CB 3.78Å; H276-Q296 HydrophobicContact CB-CG 4.47Å; H276-Q296 PolarHBondContact ND1-OE1 3.35Å; H276-Q296 CarbonylContact O-C 3.53Å; H276-Q296 VanDerWaalsContact O-C 3.32Å; R277-Q296 CarbonylContact C-O 3.51Å; R277-Q296 WeakPolarHBondContact CA-O 3.32Å; S278-Q296 PolarHBondContact N-O 3.07Å; S278-Q296 VanDerWaalsContact N-O 3.07Å; S278-Q296 PolarHBondContact O-N 3.04Å; Q281-Q296 HydrophobicContact CB-CG 3.8Å; Q281-Q296 HydrophobicContact CG-CB 3.96Å; Q281-Q296 HydrophobicContact CG-CG 3.72Å; C283-Q296 PolarHBondContact SG-NE2 3.06Å; C283-Q296 VanDerWaalsContact SG-NE2 3.42Å; T294-Q296 PolarHBondContact OG1-NE2 3.35Å; Q296-H298 PolarHBondContact OE1-NE2 3.21Å; Q296-E324 PolarHBondContact NE2-OE1 3.24Å; Q296-E324 PolarHBondContact NE2-OE2 3.11Å; Q296-E324 VanDerWaalsContact NE2-OE2 3.07Å; Q296-E324 PolarHBondContact OE1-OE1 3.02Å; Q296-E324 VanDerWaalsContact OE1-OE1 3.07Å; Q296-E324 PolarHBondContact OE1-OE2 3.43Å; Q296-F338 HydrophobicContact CG-CB 3.68Å |
| 297 | N | 91.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 88.7 | 168.3 | -177.7 | 8.3 | 0 | 0 | 0 | 109.7 | D43 S45 Y46 C255 H276 | D43-N297 PolarHBondContact OD2-ND2 2.7Å; S45-N297 WeakPolarHBondContact CB-ND2 3.41Å; Y46-N297 VanDerWaalsContact CD2-ND2 3.34Å; Y46-N297 WeakPolarHBondContact CD2-ND2 3.2Å; Y46-N297 WeakPolarHBondContact CE2-ND2 3.21Å; C255-N297 PolarHBondContact SG-O 2.94Å; C255-N297 VanDerWaalsContact SG-O 3.38Å; H276-N297 VanDerWaalsContact O-CA 3.26Å; H276-N297 WeakPolarHBondContact O-CA 3.42Å; H276-N297 PolarHBondContact O-N 2.69Å |
| 298 | H | 92.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 151.5 | 177.9 | 62.8 | 87.3 | 0 | 0 | 0 | 112.5 | M272 G275 H276 R277 Q296 Y300 Q337 | M272-H298 PolarHBondContact SD-CE1 3.43Å; M272-H298 PolarHBondContact SD-ND1 2.94Å; G275-H298 CarbonylContact C-O 3.39Å; G275-H298 VanDerWaalsContact CA-O 3.27Å; G275-H298 WeakPolarHBondContact CA-O 3.39Å; H276-H298 PolarHBondContact N-O 3.5Å; H276-H298 AromaticContact ND1-CE1 3.94Å; H276-H298 AromaticContact ND1-NE2 3.9Å; H276-H298 PolarHBondContact O-N 3.46Å; R277-H298 PolarHBondContact NH1-O 3.3Å; Q296-H298 PolarHBondContact OE1-NE2 3.21Å; H298-Y300 PolarHBondContact ND1-O 3.19Å; H298-Y300 VanDerWaalsContact ND1-O 3.12Å; H298-Q337 PolarHBondContact CD2-NE2 3.37Å; H298-Q337 VanDerWaalsContact CG-NE2 3.29Å; H298-Q337 WeakPolarHBondContact NE2-CG 3.04Å |
| 299 | G | 91.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -0 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M272 | M272-G299 PolarHBondContact N-O 3.42Å |
| 300 | Y | 95.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.9 | -178.7 | -68 | -95.3 | 0 | 0 | 0 | 108.4 | G228 D229 Q259 Y270 R271 H298 | G228-Y300 WeakPolarHBondContact O-CD2 3.45Å; D229-Y300 HydrophobicContact CB-CE1 4.06Å; D229-Y300 HydrophobicContact CB-CE2 4.11Å; Q259-Y300 PolarHBondContact NE2-O 3Å; Y270-Y300 CarbonylContact O-C 3.3Å; Y270-Y300 VanDerWaalsContact O-CA 3.22Å; Y270-Y300 WeakPolarHBondContact O-CA 3.27Å; R271-Y300 HydrophobicContact CB-CD1 3.91Å; R271-Y300 HydrophobicContact CB-CE1 3.56Å; R271-Y300 HydrophobicContact CG-CD1 4.38Å; R271-Y300 HydrophobicContact CG-CE1 3.9Å; H298-Y300 PolarHBondContact ND1-O 3.19Å; H298-Y300 VanDerWaalsContact ND1-O 3.12Å |
| 301 | A | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T269 Y270 M272 T322 | T269-A301 CarbonylContact C-O 3.56Å; T269-A301 WeakPolarHBondContact CA-O 3.35Å; Y270-A301 WeakPolarHBondContact CD1-O 3.27Å; Y270-A301 HydrophobicContact CE1-CB 3.89Å; Y270-A301 HydrophobicContact CE2-CB 4.28Å; Y270-A301 PolarHBondContact N-O 2.9Å; Y270-A301 PolarHBondContact O-N 3.13Å; M272-A301 HydrophobicContact CG-CB 3.98Å; M272-A301 HydrophobicContact SD-CB 3.94Å; A301-T322 HydrophobicContact CB-CG2 3.57Å |
| 302 | V | 97.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 134.6 | 173.5 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | H258 Q259 A262 A267 T269 G304 N323 | H258-V302 WeakPolarHBondContact NE2-CG2 3.38Å; Q259-V302 HydrophobicContact CB-CG2 4.5Å; Q259-V302 HydrophobicContact CG-CG2 4.26Å; A262-V302 HydrophobicContact CB-CB 4.29Å; A262-V302 HydrophobicContact CB-CG1 3.75Å; A262-V302 HydrophobicContact CB-CG2 3.46Å; A262-V302 VanDerWaalsContact CB-CG2 3.46Å; A267-V302 HydrophobicContact CB-CG1 4.2Å; T269-V302 HydrophobicContact CG2-CG2 4.12Å; V302-G304 PolarHBondContact O-N 3.25Å; V302-G304 VanDerWaalsContact O-N 3.16Å; V302-N323 HydrophobicContact CB-CB 4.34Å; V302-N323 WeakPolarHBondContact O-CB 3.45Å |
| 303 | D | 95.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 93.5 | 168.7 | -177.3 | -7.5 | 0 | 0 | 0 | 109.1 | K268 Y270 G305 T306 | K268-D303 HydrophobicContact CB-CB 4.45Å; K268-D303 PolarHBondContact O-N 3.36Å; Y270-D303 HydrophobicContact CD1-CB 4.19Å; Y270-D303 HydrophobicContact CE1-CB 4.39Å; D303-G305 PolarHBondContact O-N 2.92Å; D303-G305 VanDerWaalsContact O-N 3.09Å; D303-G305 PolarHBondContact OD1-N 3.28Å; D303-T306 HydrophobicContact CB-CG2 4.14Å; D303-T306 PolarHBondContact O-N 2.9Å; D303-T306 PolarHBondContact O-OG1 2.69Å; D303-T306 WeakPolarHBondContact OD2-CG2 3.41Å |
| 304 | G | 89.7 | Confident | 93 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -56.9 | -23.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V302 T306 L307 | V302-G304 PolarHBondContact O-N 3.25Å; V302-G304 VanDerWaalsContact O-N 3.16Å; G304-T306 PolarHBondContact O-N 3.18Å; G304-L307 PolarHBondContact O-N 3.22Å |
| 305 | G | 92.5 | Very high | 93.2 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 77% | 0.773 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -72.8 | -10.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D303 | D303-G305 PolarHBondContact O-N 2.92Å; D303-G305 VanDerWaalsContact O-N 3.09Å; D303-G305 PolarHBondContact OD1-N 3.28Å |
| 306 | T | 96.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 24% | 0.239 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -103.8 | 4.6 | 178.8 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | K268 D303 G304 | K268-T306 HydrophobicContact CB-CG2 4.35Å; K268-T306 HydrophobicContact CD-CG2 4.14Å; K268-T306 HydrophobicContact CG-CG2 4.25Å; K268-T306 PolarHBondContact N-OG1 3.15Å; D303-T306 HydrophobicContact CB-CG2 4.14Å; D303-T306 PolarHBondContact O-N 2.9Å; D303-T306 PolarHBondContact O-OG1 2.69Å; D303-T306 WeakPolarHBondContact OD2-CG2 3.41Å; G304-T306 PolarHBondContact O-N 3.18Å |
| 307 | L | 94.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | trans | -64.6 | 137 | 176.7 | -73.4 | 164.3 | 0 | 0 | 0 | 110.9 | A267 G304 W311 I326 | A267-L307 HydrophobicContact CB-CD2 3.82Å; A267-L307 HydrophobicContact CB-CG 4.34Å; G304-L307 PolarHBondContact O-N 3.22Å; L307-W311 HydrophobicContact CB-CB 4.39Å; L307-W311 HydrophobicContact CD2-CB 4.21Å; L307-I326 HydrophobicContact CD1-CG2 3.47Å; L307-I326 VanDerWaalsContact CD1-CG2 3.47Å; L307-I326 HydrophobicContact CD2-CB 4.46Å; L307-I326 HydrophobicContact CD2-CD1 4.08Å; L307-I326 HydrophobicContact CD2-CG2 3.77Å; L307-I326 HydrophobicContact CG-CG2 4.26Å | ||
| 308 | P | 94.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | trans | -60.3 | 158.5 | 170 | -17.5 | 28 | 0 | 0 | 0 | 112.4 | A265 E310 W311 | A265-P308 WeakPolarHBondContact O-CG 3.05Å; P308-E310 WeakPolarHBondContact CB-OE2 3.39Å; P308-E310 PolarHBondContact O-N 3.26Å; P308-E310 VanDerWaalsContact O-N 3.16Å; P308-W311 PolarHBondContact O-N 3.3Å | ||
| 309 | E | 90.4 | Very high | 93.5 | Very high | 168 Ų | 168 | 38.6 Ų | 38.6 | 79% | 0.785 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.2 | -176.2 | -68.7 | -171.7 | 172.8 | 0 | 0 | 114.2 | W311 R329 | E309-W311 PolarHBondContact O-N 2.99Å; E309-R329 PolarHBondContact O-NH1 2.97Å |
| 310 | E | 90.4 | Very high | 93.5 | Very high | 107 Ų | 107 | 40.9 Ų | 40.9 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.9 | 176.8 | -54.3 | 81.9 | -178 | 0 | 0 | 112.8 | P308 R329 | P308-E310 WeakPolarHBondContact CB-OE2 3.39Å; P308-E310 PolarHBondContact O-N 3.26Å; P308-E310 VanDerWaalsContact O-N 3.16Å; E310-R329 WeakPolarHBondContact O-CB 3.45Å; E310-R329 WeakPolarHBondContact O-CG 3.27Å; E310-R329 PolarHBondContact O-N 2.75Å |
| 311 | W | 93.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 154.5 | 179 | -66.7 | 80.9 | 0 | 0 | 0 | 111.3 | L244 L261 A265 L307 P308 E309 I326 A327 H328 F333 | L244-W311 HydrophobicContact CD1-CZ2 4.11Å; L244-W311 HydrophobicContact CD2-CH2 4.21Å; L244-W311 HydrophobicContact CD2-CZ2 3.95Å; L261-W311 HydrophobicContact CD1-CH2 4.41Å; L261-W311 HydrophobicContact CD2-CH2 4.07Å; L261-W311 HydrophobicContact CD2-CZ3 4.25Å; L261-W311 HydrophobicContact CG-CH2 4.09Å; A265-W311 HydrophobicContact CB-CD2 4.11Å; A265-W311 VanDerWaalsContact CB-CE2 3.48Å; A265-W311 HydrophobicContact CB-CG 4.42Å; A265-W311 HydrophobicContact CB-CZ2 3.74Å; L307-W311 HydrophobicContact CB-CB 4.39Å; L307-W311 HydrophobicContact CD2-CB 4.21Å; P308-W311 PolarHBondContact O-N 3.3Å; E309-W311 PolarHBondContact O-N 2.99Å; W311-I326 HydrophobicContact CE3-CB 4.2Å; W311-I326 HydrophobicContact CE3-CD1 3.82Å; W311-I326 HydrophobicContact CE3-CG1 4.08Å; W311-I326 HydrophobicContact CZ3-CD1 3.92Å; W311-I326 HydrophobicContact CZ3-CG1 4.13Å; W311-A327 WeakPolarHBondContact CA-O 3.34Å; W311-H328 HydrophobicContact CD2-CB 4.23Å; W311-H328 AromaticContact CE2-CD2 3.64Å; W311-H328 HydrophobicContact CE3-CB 4.11Å; W311-H328 HydrophobicContact CH2-CB 4.17Å; W311-H328 HydrophobicContact CZ2-CB 4.26Å; W311-H328 AromaticContact CZ2-CD2 3.95Å; W311-H328 HydrophobicContact CZ3-CB 4.09Å; W311-H328 AromaticContact NE1-CD2 3.6Å; W311-F333 HydrophobicContact CH2-CB 3.61Å; W311-F333 HydrophobicContact CH2-CD2 4.26Å; W311-F333 HydrophobicContact CH2-CG 4.39Å; W311-F333 HydrophobicContact CZ2-CB 4.43Å; W311-F333 HydrophobicContact CZ2-CD2 4.27Å; W311-F333 HydrophobicContact CZ3-CB 4.15Å |
| 312 | E | 91.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159 | 171.5 | 61.2 | -174.1 | -151.1 | 0 | 0 | 111.9 | L314 I326 A327 R329 L366 | E312-L314 PolarHBondContact O-N 3.34Å; E312-I326 CarbonylContact O-C 3.5Å; E312-I326 VanDerWaalsContact O-CA 3.23Å; E312-I326 WeakPolarHBondContact O-CA 3.32Å; E312-A327 PolarHBondContact N-O 3.07Å; E312-A327 PolarHBondContact O-N 3.29Å; E312-R329 HydrophobicContact CG-CG 4.22Å; E312-R329 IonicContact OE2-CZ 3.84Å; E312-R329 IonicContact OE2-NE 3.49Å; E312-R329 PolarHBondContact OE2-NE 3.07Å; E312-R329 IonicContact OE2-NH2 3.65Å; E312-L366 WeakPolarHBondContact OE1-CD1 3.48Å; E312-L366 WeakPolarHBondContact OE1-CD2 3.46Å |
| 313 | T | 93.2 | Very high | 93.2 | Very high | 43 Ų | 43 | 43 Ų | 43 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123 | 173.4 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | S286 F315 N323 | S286-T313 WeakPolarHBondContact CB-O 3.41Å; S286-T313 PolarHBondContact OG-O 3.06Å; T313-F315 WeakPolarHBondContact CG2-O 3.33Å; T313-N323 WeakPolarHBondContact CG2-ND2 3.35Å; T313-N323 PolarHBondContact OG1-ND2 3.42Å |
| 314 | L | 92.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -45.5 | 176.3 | -176.6 | 65.1 | 0 | 0 | 0 | 111 | L285 S286 E312 G325 A327 F334 I365 L366 | L285-L314 HydrophobicContact CD1-CD1 4.09Å; L285-L314 HydrophobicContact CD1-CG 4.49Å; S286-L314 WeakPolarHBondContact CB-O 3.47Å; S286-L314 PolarHBondContact N-O 3.5Å; S286-L314 PolarHBondContact OG-O 3.45Å; E312-L314 PolarHBondContact O-N 3.34Å; L314-G325 PolarHBondContact N-O 2.81Å; L314-A327 HydrophobicContact CB-CB 4.21Å; L314-A327 HydrophobicContact CD1-CB 4.29Å; L314-A327 HydrophobicContact CD2-CB 4.42Å; L314-F334 HydrophobicContact CD2-CB 4.44Å; L314-F334 HydrophobicContact CD2-CD2 4.18Å; L314-I365 HydrophobicContact CD2-CD1 3.73Å; L314-L366 HydrophobicContact CD1-CD2 4.39Å |
| 315 | F | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.4 | 176.9 | -68.5 | -86 | 0 | 0 | 0 | 111.1 | C283 M284 L285 F292 T313 E324 G325 V336 F338 L352 | C283-F315 HydrophobicContact CB-CD1 4.3Å; M284-F315 VanDerWaalsContact O-CA 3.25Å; M284-F315 WeakPolarHBondContact O-CA 3.42Å; L285-F315 HydrophobicContact CB-CD1 4.15Å; L285-F315 HydrophobicContact CB-CE1 3.8Å; L285-F315 HydrophobicContact CD1-CD1 4.33Å; L285-F315 HydrophobicContact CD1-CE1 3.8Å; L285-F315 HydrophobicContact CD1-CE2 4.32Å; L285-F315 HydrophobicContact CD1-CZ 3.79Å; L285-F315 HydrophobicContact CG-CE1 4.38Å; F292-F315 AromaticContact CD2-CE1 3.83Å; F292-F315 HydrophobicContact CD2-CE1 3.83Å; F292-F315 HydrophobicContact CE2-CE1 4.09Å; T313-F315 WeakPolarHBondContact CG2-O 3.33Å; F315-E324 HydrophobicContact CB-CB 3.82Å; F315-E324 PolarHBondContact O-N 2.95Å; F315-G325 PolarHBondContact N-O 3.06Å; F315-G325 PolarHBondContact O-N 3.21Å; F315-V336 HydrophobicContact CD2-CG1 3.86Å; F315-V336 HydrophobicContact CE2-CG1 4.06Å; F315-F338 HydrophobicContact CB-CE1 3.98Å; F315-F338 HydrophobicContact CD1-CE1 4.26Å; F315-F338 HydrophobicContact CD1-CZ 4.41Å; F315-F338 AromaticContact CD2-CE1 3.94Å; F315-F338 HydrophobicContact CD2-CE1 3.94Å; F315-F338 AromaticContact CD2-CZ 3.93Å; F315-F338 HydrophobicContact CD2-CZ 3.93Å; F315-F338 HydrophobicContact CE1-CZ 4.49Å; F315-F338 HydrophobicContact CE2-CE1 4.49Å; F315-F338 HydrophobicContact CE2-CZ 4.03Å; F315-F338 AromaticContact CG-CE1 3.81Å; F315-F338 HydrophobicContact CG-CE1 3.81Å; F315-F338 HydrophobicContact CG-CZ 4.13Å; F315-F338 HydrophobicContact CZ-CZ 4.32Å; F315-L352 HydrophobicContact CE2-CD1 4.42Å; F315-L352 HydrophobicContact CE2-CD2 4.29Å; F315-L352 HydrophobicContact CZ-CD2 4.47Å |
| 316 | S | 94.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.5 | 172.3 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | C283 M284 A318 T322 | C283-S316 CarbonylContact C-O 3.58Å; C283-S316 WeakPolarHBondContact CA-O 3.25Å; M284-S316 PolarHBondContact N-O 2.73Å; M284-S316 PolarHBondContact O-N 3.47Å; S316-A318 PolarHBondContact O-N 3.21Å; S316-T322 WeakPolarHBondContact CA-O 3.4Å |
| 317 | N | 94.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130 | 177 | -168.8 | -62.9 | 0 | 0 | 0 | 109.7 | H276 P282 N319 D320 G321 T322 E324 | H276-N317 PolarHBondContact CE1-ND2 3.31Å; H276-N317 PolarHBondContact ND1-ND2 3.43Å; P282-N317 WeakPolarHBondContact O-CA 3.43Å; N317-N319 PolarHBondContact O-N 3.41Å; N317-N319 WeakPolarHBondContact OD1-CB 3.44Å; N317-N319 PolarHBondContact OD1-N 3.09Å; N317-D320 WeakPolarHBondContact CB-OD1 3.35Å; N317-G321 WeakPolarHBondContact O-CA 3.22Å; N317-G321 PolarHBondContact O-N 2.91Å; N317-T322 PolarHBondContact N-O 3.25Å; N317-E324 HydrophobicContact CB-CG 3.78Å; N317-E324 VanDerWaalsContact N-CG 3.32Å; N317-E324 PolarHBondContact ND2-OE1 3.25Å |
| 318 | A | 91.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 28% | 0.281 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P282 M284 S316 T700 | P282-A318 HydrophobicContact CB-CB 3.96Å; P282-A318 HydrophobicContact CG-CB 4.04Å; P282-A318 PolarHBondContact O-N 2.94Å; M284-A318 HydrophobicContact CG-CB 3.91Å; S316-A318 PolarHBondContact O-N 3.21Å; A318-T700 HydrophobicContact CB-CG2 3.79Å |
| 319 | N | 91.6 | Very high | 93 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -42.3 | -175.4 | -65.4 | -38.6 | 0 | 0 | 0 | 113.5 | P282 N317 T699 T700 W890 | P282-N319 VanDerWaalsContact CG-ND2 3.35Å; P282-N319 WeakPolarHBondContact CG-ND2 3.09Å; N317-N319 PolarHBondContact O-N 3.41Å; N317-N319 WeakPolarHBondContact OD1-CB 3.44Å; N317-N319 PolarHBondContact OD1-N 3.09Å; N319-T699 HydrophobicContact CB-CG2 4.36Å; N319-T699 VanDerWaalsContact OD1-CA 3.28Å; N319-T699 WeakPolarHBondContact OD1-CA 3.35Å; N319-T699 WeakPolarHBondContact OD1-CB 3.47Å; N319-T700 WeakPolarHBondContact OD1-CG2 3.45Å; N319-T700 PolarHBondContact OD1-N 2.96Å; N319-W890 HydrophobicContact CB-CH2 4.31Å; N319-W890 HydrophobicContact CB-CZ2 3.94Å |
| 320 | D | 91.7 | Very high | 92.7 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 35% | 0.348 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -4.6 | -173.4 | 76.3 | -11.8 | 0 | 0 | 0 | 114.4 | H276 N317 T322 W890 | H276-D320 IonicContact CE1-OD1 3.08Å; H276-D320 IonicContact CE1-OD2 3.11Å; H276-D320 PolarHBondContact CE1-OD2 3.18Å; H276-D320 VanDerWaalsContact CE1-OD2 3.3Å; H276-D320 IonicContact NE2-OD2 2.89Å; H276-D320 PolarHBondContact NE2-OD2 3.42Å; N317-D320 WeakPolarHBondContact CB-OD1 3.35Å; D320-T322 PolarHBondContact O-N 2.97Å; D320-T322 WeakPolarHBondContact OD1-CB 3.35Å; D320-T322 PolarHBondContact OD1-N 3.29Å; D320-T322 PolarHBondContact OD1-OG1 2.79Å; D320-T322 PolarHBondContact OD2-OG1 2.83Å; D320-W890 HydrophobicContact CB-CH2 4.09Å |
| 321 | G | 91.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 57% | 0.567 | 18% | 0.181 | S | C | * | . | trans | 72.6 | 10 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N317 N323 | N317-G321 WeakPolarHBondContact O-CA 3.22Å; N317-G321 PolarHBondContact O-N 2.91Å; G321-N323 PolarHBondContact O-N 3.03Å | ||
| 322 | T | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | trans | -53.5 | 139.6 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | M272 A301 S316 N317 D320 E324 | M272-T322 HydrophobicContact CE-CG2 4.32Å; A301-T322 HydrophobicContact CB-CG2 3.57Å; S316-T322 WeakPolarHBondContact CA-O 3.4Å; N317-T322 PolarHBondContact N-O 3.25Å; D320-T322 PolarHBondContact O-N 2.97Å; D320-T322 WeakPolarHBondContact OD1-CB 3.35Å; D320-T322 PolarHBondContact OD1-N 3.29Å; D320-T322 PolarHBondContact OD1-OG1 2.79Å; D320-T322 PolarHBondContact OD2-OG1 2.83Å; T322-E324 PolarHBondContact O-N 2.93Å | ||
| 323 | N | 96.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 119.6 | 175.6 | -176.5 | -74.5 | 0 | 0 | 0 | 108.7 | H258 V302 T313 G321 G325 | H258-N323 PolarHBondContact CE1-OD1 3.02Å; H258-N323 PolarHBondContact NE2-OD1 3.19Å; V302-N323 HydrophobicContact CB-CB 4.34Å; V302-N323 WeakPolarHBondContact O-CB 3.45Å; T313-N323 WeakPolarHBondContact CG2-ND2 3.35Å; T313-N323 PolarHBondContact OG1-ND2 3.42Å; G321-N323 PolarHBondContact O-N 3.03Å; N323-G325 PolarHBondContact ND2-O 3.32Å; N323-G325 PolarHBondContact OD1-N 2.88Å; N323-G325 VanDerWaalsContact OD1-N 3.15Å; N323-G325 PolarHBondContact OD1-O 2.83Å |
| 324 | E | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 2.6 | -176.2 | -66.1 | -70.1 | -179.2 | 0 | 0 | 112 | H276 Q296 F315 N317 T322 V336 Q337 F338 | H276-E324 IonicContact CE1-OE1 3.92Å; H276-E324 IonicContact ND1-OE1 3.23Å; H276-E324 PolarHBondContact ND1-OE1 3.24Å; Q296-E324 PolarHBondContact NE2-OE1 3.24Å; Q296-E324 PolarHBondContact NE2-OE2 3.11Å; Q296-E324 VanDerWaalsContact NE2-OE2 3.07Å; Q296-E324 PolarHBondContact OE1-OE1 3.02Å; Q296-E324 VanDerWaalsContact OE1-OE1 3.07Å; Q296-E324 PolarHBondContact OE1-OE2 3.43Å; F315-E324 HydrophobicContact CB-CB 3.82Å; F315-E324 PolarHBondContact O-N 2.95Å; N317-E324 HydrophobicContact CB-CG 3.78Å; N317-E324 VanDerWaalsContact N-CG 3.32Å; N317-E324 PolarHBondContact ND2-OE1 3.25Å; T322-E324 PolarHBondContact O-N 2.93Å; E324-V336 CarbonylContact O-C 3.55Å; E324-V336 VanDerWaalsContact O-CA 3.32Å; E324-V336 WeakPolarHBondContact O-CA 3.35Å; E324-Q337 PolarHBondContact O-N 3.41Å; E324-Q337 WeakPolarHBondContact OE2-CB 3.29Å; E324-F338 HydrophobicContact CB-CD1 4.12Å; E324-F338 HydrophobicContact CB-CE1 4.35Å |
| 325 | G | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | 154.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L314 F315 N323 S335 | L314-G325 PolarHBondContact N-O 2.81Å; F315-G325 PolarHBondContact N-O 3.06Å; F315-G325 PolarHBondContact O-N 3.21Å; N323-G325 PolarHBondContact ND2-O 3.32Å; N323-G325 PolarHBondContact OD1-N 2.88Å; N323-G325 VanDerWaalsContact OD1-N 3.15Å; N323-G325 PolarHBondContact OD1-O 2.83Å; G325-S335 CarbonylContact C-O 3.57Å; G325-S335 WeakPolarHBondContact CA-O 3.47Å |
| 326 | I | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.3 | 177.9 | 56.7 | 173 | 0 | 0 | 0 | 110.8 | A262 L307 W311 E312 F334 S335 | A262-I326 HydrophobicContact CB-CD1 3.8Å; L307-I326 HydrophobicContact CD1-CG2 3.47Å; L307-I326 VanDerWaalsContact CD1-CG2 3.47Å; L307-I326 HydrophobicContact CD2-CB 4.46Å; L307-I326 HydrophobicContact CD2-CD1 4.08Å; L307-I326 HydrophobicContact CD2-CG2 3.77Å; L307-I326 HydrophobicContact CG-CG2 4.26Å; W311-I326 HydrophobicContact CE3-CB 4.2Å; W311-I326 HydrophobicContact CE3-CD1 3.82Å; W311-I326 HydrophobicContact CE3-CG1 4.08Å; W311-I326 HydrophobicContact CZ3-CD1 3.92Å; W311-I326 HydrophobicContact CZ3-CG1 4.13Å; E312-I326 CarbonylContact O-C 3.5Å; E312-I326 VanDerWaalsContact O-CA 3.23Å; E312-I326 WeakPolarHBondContact O-CA 3.32Å; I326-F334 CarbonylContact O-C 3.59Å; I326-F334 WeakPolarHBondContact O-CA 3.34Å; I326-F334 WeakPolarHBondContact O-CB 3.34Å; I326-S335 WeakPolarHBondContact CG1-OG 3.44Å; I326-S335 PolarHBondContact N-O 3.11Å; I326-S335 PolarHBondContact O-N 3.23Å |
| 327 | A | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | W311 E312 L314 F334 I365 | W311-A327 WeakPolarHBondContact CA-O 3.34Å; E312-A327 PolarHBondContact N-O 3.07Å; E312-A327 PolarHBondContact O-N 3.29Å; L314-A327 HydrophobicContact CB-CB 4.21Å; L314-A327 HydrophobicContact CD1-CB 4.29Å; L314-A327 HydrophobicContact CD2-CB 4.42Å; A327-F334 HydrophobicContact CB-CB 4.24Å; A327-I365 HydrophobicContact CB-CG2 3.75Å |
| 328 | H | 91.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 135.3 | 169.3 | -169.2 | -81 | 0 | 0 | 0 | 109.4 | W311 Q330 L331 F333 | W311-H328 HydrophobicContact CD2-CB 4.23Å; W311-H328 AromaticContact CE2-CD2 3.64Å; W311-H328 HydrophobicContact CE3-CB 4.11Å; W311-H328 HydrophobicContact CH2-CB 4.17Å; W311-H328 HydrophobicContact CZ2-CB 4.26Å; W311-H328 AromaticContact CZ2-CD2 3.95Å; W311-H328 HydrophobicContact CZ3-CB 4.09Å; W311-H328 AromaticContact NE1-CD2 3.6Å; H328-Q330 VanDerWaalsContact C-N 3.28Å; H328-Q330 PolarHBondContact ND1-N 2.85Å; H328-Q330 PolarHBondContact O-N 3.48Å; H328-L331 HydrophobicContact CB-CB 4.35Å; H328-L331 VanDerWaalsContact ND1-CB 3.34Å; H328-L331 WeakPolarHBondContact ND1-CB 3.44Å; H328-L331 PolarHBondContact ND1-N 2.87Å; H328-F333 HydrophobicContact CB-CB 4.01Å; H328-F333 HydrophobicContact CB-CD2 4.03Å; H328-F333 HydrophobicContact CB-CG 4.44Å; H328-F333 PolarHBondContact N-O 3.35Å |
| 329 | R | 86.8 | Confident | 92.9 | Very high | 127 Ų | 127 | 24.9 Ų | 24.9 | 48% | 0.479 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -65.6 | -26.7 | -172 | -73 | 179.2 | 167.8 | 168.8 | 2.1 | 114.9 | E309 E310 E312 | E309-R329 PolarHBondContact O-NH1 2.97Å; E310-R329 WeakPolarHBondContact O-CB 3.45Å; E310-R329 WeakPolarHBondContact O-CG 3.27Å; E310-R329 PolarHBondContact O-N 2.75Å; E312-R329 HydrophobicContact CG-CG 4.22Å; E312-R329 IonicContact OE2-CZ 3.84Å; E312-R329 IonicContact OE2-NE 3.49Å; E312-R329 PolarHBondContact OE2-NE 3.07Å; E312-R329 IonicContact OE2-NH2 3.65Å |
| 330 | Q | 83.4 | Confident | 92.9 | Very high | 162 Ų | 162 | 23.7 Ų | 23.7 | 76% | 0.757 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -130.7 | -9.2 | -172.5 | -63.8 | -176.4 | 0 | 0 | 0 | 115.3 | H328 | H328-Q330 VanDerWaalsContact C-N 3.28Å; H328-Q330 PolarHBondContact ND1-N 2.85Å; H328-Q330 PolarHBondContact O-N 3.48Å |
| 331 | L | 88 | Confident | 92.8 | Very high | 33 Ų | 33 | 20.7 Ų | 20.7 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -122.1 | 152.8 | -173.1 | -64.7 | 176.7 | 0 | 0 | 0 | 108.1 | R248 H328 F333 | R248-L331 HydrophobicContact CG-CD2 4.04Å; H328-L331 HydrophobicContact CB-CB 4.35Å; H328-L331 VanDerWaalsContact ND1-CB 3.34Å; H328-L331 WeakPolarHBondContact ND1-CB 3.44Å; H328-L331 PolarHBondContact ND1-N 2.87Å; L331-F333 HydrophobicContact CB-CD2 3.67Å; L331-F333 HydrophobicContact CB-CE2 3.54Å; L331-F333 HydrophobicContact CB-CG 4.28Å; L331-F333 HydrophobicContact CB-CZ 4.03Å; L331-F333 HydrophobicContact CD1-CD2 4.25Å; L331-F333 HydrophobicContact CD1-CE2 3.47Å; L331-F333 VanDerWaalsContact CD1-CE2 3.47Å; L331-F333 HydrophobicContact CD1-CZ 4.08Å; L331-F333 HydrophobicContact CG-CE2 4.13Å; L331-F333 PolarHBondContact O-N 3.03Å |
| 332 | P | 88.5 | Confident | 92.2 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 12% | 0.117 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -78.6 | 53.5 | -172.5 | 33.8 | -36.7 | 0 | 0 | 0 | 112.1 | R248 P250 I251 M359 | R248-P332 WeakPolarHBondContact O-CG 3.45Å; P250-P332 CarbonylContact C-O 3.57Å; P250-P332 VanDerWaalsContact CA-O 3.28Å; P250-P332 WeakPolarHBondContact CA-O 3.47Å; P250-P332 HydrophobicContact CB-CB 4.3Å; P250-P332 HydrophobicContact CG-CB 4.22Å; P250-P332 HydrophobicContact CG-CG 4.38Å; I251-P332 PolarHBondContact N-O 2.75Å; P332-M359 HydrophobicContact CB-CE 3.33Å; P332-M359 WeakPolarHBondContact O-CE 3.43Å |
| 333 | F | 91.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.4 | 179.5 | -44.8 | -40.5 | 0 | 0 | 0 | 109.7 | L244 D247 V249 I251 W311 H328 L331 | L244-F333 HydrophobicContact CD2-CB 4.39Å; L244-F333 HydrophobicContact CD2-CD1 4.28Å; L244-F333 HydrophobicContact CD2-CD2 3.31Å; L244-F333 HydrophobicContact CD2-CE1 4.37Å; L244-F333 HydrophobicContact CD2-CE2 3.42Å; L244-F333 VanDerWaalsContact CD2-CE2 3.42Å; L244-F333 HydrophobicContact CD2-CG 3.77Å; L244-F333 HydrophobicContact CD2-CZ 3.97Å; D247-F333 WeakPolarHBondContact O-CZ 3.38Å; V249-F333 VanDerWaalsContact O-CE1 3.26Å; V249-F333 WeakPolarHBondContact O-CE1 3.31Å; I251-F333 HydrophobicContact CB-CD1 3.83Å; I251-F333 HydrophobicContact CD1-CD1 3.8Å; I251-F333 HydrophobicContact CD1-CE1 3.79Å; I251-F333 HydrophobicContact CG1-CD1 3.66Å; I251-F333 HydrophobicContact CG1-CE1 3.89Å; W311-F333 HydrophobicContact CH2-CB 3.61Å; W311-F333 HydrophobicContact CH2-CD2 4.26Å; W311-F333 HydrophobicContact CH2-CG 4.39Å; W311-F333 HydrophobicContact CZ2-CB 4.43Å; W311-F333 HydrophobicContact CZ2-CD2 4.27Å; W311-F333 HydrophobicContact CZ3-CB 4.15Å; H328-F333 HydrophobicContact CB-CB 4.01Å; H328-F333 HydrophobicContact CB-CD2 4.03Å; H328-F333 HydrophobicContact CB-CG 4.44Å; H328-F333 PolarHBondContact N-O 3.35Å; L331-F333 HydrophobicContact CB-CD2 3.67Å; L331-F333 HydrophobicContact CB-CE2 3.54Å; L331-F333 HydrophobicContact CB-CG 4.28Å; L331-F333 HydrophobicContact CB-CZ 4.03Å; L331-F333 HydrophobicContact CD1-CD2 4.25Å; L331-F333 HydrophobicContact CD1-CE2 3.47Å; L331-F333 VanDerWaalsContact CD1-CE2 3.47Å; L331-F333 HydrophobicContact CD1-CZ 4.08Å; L331-F333 HydrophobicContact CG-CE2 4.13Å; L331-F333 PolarHBondContact O-N 3.03Å |
| 334 | F | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 163.6 | 170.3 | 78.9 | -79 | 0 | 0 | 0 | 111.1 | I251 M252 A253 L314 I326 A327 L352 I355 F356 M359 I365 | I251-F334 PolarHBondContact O-N 3.03Å; M252-F334 WeakPolarHBondContact CA-O 3.22Å; M252-F334 HydrophobicContact CB-CE1 3.93Å; M252-F334 HydrophobicContact CB-CZ 4.01Å; M252-F334 HydrophobicContact CE-CE2 4.23Å; M252-F334 HydrophobicContact CE-CZ 4.17Å; M252-F334 HydrophobicContact CG-CE1 4.06Å; M252-F334 HydrophobicContact CG-CE2 3.97Å; M252-F334 HydrophobicContact CG-CZ 3.6Å; M252-F334 HydrophobicContact SD-CE1 4.34Å; M252-F334 HydrophobicContact SD-CE2 4.18Å; M252-F334 HydrophobicContact SD-CZ 3.57Å; M252-F334 VanDerWaalsContact SD-CZ 3.57Å; A253-F334 PolarHBondContact N-O 3.17Å; L314-F334 HydrophobicContact CD2-CB 4.44Å; L314-F334 HydrophobicContact CD2-CD2 4.18Å; I326-F334 CarbonylContact O-C 3.59Å; I326-F334 WeakPolarHBondContact O-CA 3.34Å; I326-F334 WeakPolarHBondContact O-CB 3.34Å; A327-F334 HydrophobicContact CB-CB 4.24Å; F334-L352 HydrophobicContact CE2-CB 4.43Å; F334-L352 HydrophobicContact CE2-CD2 4.35Å; F334-I355 HydrophobicContact CE1-CG2 4.48Å; F334-I355 HydrophobicContact CZ-CG2 4.49Å; F334-F356 HydrophobicContact CE1-CB 4.34Å; F334-F356 HydrophobicContact CE1-CD2 4.28Å; F334-F356 HydrophobicContact CZ-CB 4.35Å; F334-M359 HydrophobicContact CD1-CE 3.94Å; F334-M359 HydrophobicContact CD1-SD 3.77Å; F334-M359 HydrophobicContact CE1-CE 4.25Å; F334-M359 HydrophobicContact CE1-SD 3.6Å; F334-M359 VanDerWaalsContact CE1-SD 3.6Å; F334-I365 HydrophobicContact CB-CD1 3.67Å; F334-I365 HydrophobicContact CB-CG2 4.42Å; F334-I365 HydrophobicContact CD1-CD1 3.68Å; F334-I365 HydrophobicContact CD2-CD1 3.45Å; F334-I365 VanDerWaalsContact CD2-CD1 3.45Å; F334-I365 HydrophobicContact CE1-CD1 4.11Å; F334-I365 HydrophobicContact CE2-CD1 3.91Å; F334-I365 HydrophobicContact CG-CD1 3.3Å; F334-I365 HydrophobicContact CZ-CD1 4.21Å |
| 335 | S | 96.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 159.7 | 174.4 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | A253 H258 G325 I326 | A253-S335 CarbonylContact O-C 3.6Å; A253-S335 WeakPolarHBondContact O-CA 3.47Å; A253-S335 WeakPolarHBondContact O-CB 3.33Å; H258-S335 PolarHBondContact ND1-OG 2.94Å; G325-S335 CarbonylContact C-O 3.57Å; G325-S335 WeakPolarHBondContact CA-O 3.47Å; I326-S335 WeakPolarHBondContact CG1-OG 3.44Å; I326-S335 PolarHBondContact N-O 3.11Å; I326-S335 PolarHBondContact O-N 3.23Å |
| 336 | V | 97 | Very high | 88.5 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 141.9 | 177.9 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | A253 V254 C255 H258 F315 E324 F338 P340 L352 | A253-V336 PolarHBondContact O-N 2.88Å; V254-V336 CarbonylContact C-O 3.59Å; V254-V336 VanDerWaalsContact CA-O 3.32Å; V254-V336 WeakPolarHBondContact CA-O 3.45Å; V254-V336 HydrophobicContact CG2-CG2 4.38Å; C255-V336 PolarHBondContact N-O 2.74Å; H258-V336 VanDerWaalsContact CB-O 3.23Å; H258-V336 WeakPolarHBondContact CB-O 3.39Å; F315-V336 HydrophobicContact CD2-CG1 3.86Å; F315-V336 HydrophobicContact CE2-CG1 4.06Å; E324-V336 CarbonylContact O-C 3.55Å; E324-V336 VanDerWaalsContact O-CA 3.32Å; E324-V336 WeakPolarHBondContact O-CA 3.35Å; V336-F338 HydrophobicContact CB-CD1 4.24Å; V336-F338 HydrophobicContact CB-CD2 4.28Å; V336-F338 HydrophobicContact CB-CE1 3.91Å; V336-F338 HydrophobicContact CB-CE2 3.93Å; V336-F338 HydrophobicContact CB-CG 4.42Å; V336-F338 HydrophobicContact CB-CZ 3.75Å; V336-F338 HydrophobicContact CG1-CE1 3.97Å; V336-F338 HydrophobicContact CG1-CE2 4.12Å; V336-F338 HydrophobicContact CG1-CZ 3.6Å; V336-F338 HydrophobicContact CG2-CD2 4.29Å; V336-F338 HydrophobicContact CG2-CE2 4.03Å; V336-F338 HydrophobicContact CG2-CZ 4.34Å; V336-P340 HydrophobicContact CG2-CG 3.99Å; V336-L352 HydrophobicContact CB-CD1 4.48Å; V336-L352 HydrophobicContact CG1-CD1 3.73Å; V336-L352 HydrophobicContact CG2-CD1 4.12Å |
| 337 | Q | 96.5 | Very high | 88 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -82 | -31.1 | -178.4 | -179.6 | 61.2 | 79.1 | 0 | 0 | 111.6 | C255 H258 Q259 H298 E324 | C255-Q337 VanDerWaalsContact CA-O 3.31Å; C255-Q337 WeakPolarHBondContact CA-O 3.22Å; C255-Q337 WeakPolarHBondContact CB-O 3.22Å; H258-Q337 PolarHBondContact CD2-OE1 3.06Å; H258-Q337 VanDerWaalsContact CD2-OE1 3.29Å; Q259-Q337 VanDerWaalsContact NE2-NE2 3.12Å; H298-Q337 PolarHBondContact CD2-NE2 3.37Å; H298-Q337 VanDerWaalsContact CG-NE2 3.29Å; H298-Q337 WeakPolarHBondContact NE2-CG 3.04Å; E324-Q337 PolarHBondContact O-N 3.41Å; E324-Q337 WeakPolarHBondContact OE2-CB 3.29Å |
| 338 | F | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -75.6 | 169.5 | 171.5 | 57.2 | -98.1 | 0 | 0 | 0 | 112.5 | V254 C283 T294 Q296 F315 E324 V336 P340 T349 L352 | V254-F338 WeakPolarHBondContact CG1-O 3.32Å; C283-F338 HydrophobicContact CB-CD1 4.38Å; C283-F338 HydrophobicContact CB-CE1 4.22Å; T294-F338 HydrophobicContact CG2-CB 4.17Å; T294-F338 HydrophobicContact CG2-CD1 3.97Å; T294-F338 HydrophobicContact CG2-CD2 3.76Å; T294-F338 HydrophobicContact CG2-CE1 4.26Å; T294-F338 HydrophobicContact CG2-CE2 4.09Å; T294-F338 HydrophobicContact CG2-CG 3.7Å; T294-F338 HydrophobicContact CG2-CZ 4.32Å; Q296-F338 HydrophobicContact CG-CB 3.68Å; F315-F338 HydrophobicContact CB-CE1 3.98Å; F315-F338 HydrophobicContact CD1-CE1 4.26Å; F315-F338 HydrophobicContact CD1-CZ 4.41Å; F315-F338 AromaticContact CD2-CE1 3.94Å; F315-F338 HydrophobicContact CD2-CE1 3.94Å; F315-F338 AromaticContact CD2-CZ 3.93Å; F315-F338 HydrophobicContact CD2-CZ 3.93Å; F315-F338 HydrophobicContact CE1-CZ 4.49Å; F315-F338 HydrophobicContact CE2-CE1 4.49Å; F315-F338 HydrophobicContact CE2-CZ 4.03Å; F315-F338 AromaticContact CG-CE1 3.81Å; F315-F338 HydrophobicContact CG-CE1 3.81Å; F315-F338 HydrophobicContact CG-CZ 4.13Å; F315-F338 HydrophobicContact CZ-CZ 4.32Å; E324-F338 HydrophobicContact CB-CD1 4.12Å; E324-F338 HydrophobicContact CB-CE1 4.35Å; V336-F338 HydrophobicContact CB-CD1 4.24Å; V336-F338 HydrophobicContact CB-CD2 4.28Å; V336-F338 HydrophobicContact CB-CE1 3.91Å; V336-F338 HydrophobicContact CB-CE2 3.93Å; V336-F338 HydrophobicContact CB-CG 4.42Å; V336-F338 HydrophobicContact CB-CZ 3.75Å; V336-F338 HydrophobicContact CG1-CE1 3.97Å; V336-F338 HydrophobicContact CG1-CE2 4.12Å; V336-F338 HydrophobicContact CG1-CZ 3.6Å; V336-F338 HydrophobicContact CG2-CD2 4.29Å; V336-F338 HydrophobicContact CG2-CE2 4.03Å; V336-F338 HydrophobicContact CG2-CZ 4.34Å; F338-P340 HydrophobicContact CE2-CB 4.4Å; F338-P340 WeakPolarHBondContact O-CD 3.43Å; F338-T349 HydrophobicContact CE2-CG2 3.72Å; F338-T349 WeakPolarHBondContact CE2-OG1 3.36Å; F338-T349 HydrophobicContact CZ-CG2 4.05Å; F338-L352 HydrophobicContact CE2-CD1 3.76Å; F338-L352 HydrophobicContact CZ-CD1 3.94Å |
| 339 | H | 93.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -101.4 | 90.1 | -177.8 | -65.9 | -97.5 | 0 | 0 | 0 | 110.9 | K190 N225 S295 E341 H342 | K190-H339 PolarHBondContact NZ-ND1 3.38Å; N225-H339 VanDerWaalsContact CB-CE1 3.48Å; N225-H339 WeakPolarHBondContact CB-CE1 3.24Å; S295-H339 PolarHBondContact O-N 3.3Å; H339-E341 VanDerWaalsContact C-OE2 3.29Å; H339-E341 VanDerWaalsContact CA-OE2 3.3Å; H339-E341 WeakPolarHBondContact CA-OE2 3.36Å; H339-E341 IonicContact CE1-OE1 3.88Å; H339-E341 IonicContact CG-OE1 3.46Å; H339-E341 IonicContact ND1-OE1 3.86Å; H339-E341 PolarHBondContact ND1-OE1 3.13Å; H339-E341 PolarHBondContact O-N 3.47Å; H339-H342 HydrophobicContact CB-CB 3.98Å; H339-H342 PolarHBondContact O-N 2.8Å; H339-H342 VanDerWaalsContact O-N 3.13Å | ||
| 340 | P | 92.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18 | 176 | 28.4 | -36.6 | 0 | 0 | 0 | 113.1 | M252 V254 V336 F338 T349 L352 F353 | M252-P340 HydrophobicContact CE-CG 4Å; V254-P340 HydrophobicContact CG2-CG 4.26Å; V336-P340 HydrophobicContact CG2-CG 3.99Å; F338-P340 HydrophobicContact CE2-CB 4.4Å; F338-P340 WeakPolarHBondContact O-CD 3.43Å; P340-T349 WeakPolarHBondContact CA-OG1 3.46Å; P340-T349 WeakPolarHBondContact CB-O 3.42Å; P340-L352 HydrophobicContact CB-CD1 4.16Å; P340-L352 HydrophobicContact CG-CD1 4.47Å; P340-F353 HydrophobicContact CB-CE2 4.07Å; P340-F353 HydrophobicContact CG-CE2 3.96Å; P340-F353 HydrophobicContact CG-CZ 4.4Å |
| 341 | E | 90.5 | Very high | 88 | Confident | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7.2 | 176.3 | 77.3 | -83.3 | -165.4 | 0 | 0 | 114.1 | K190 N192 Q193 H339 A343 F353 | K190-E341 HydrophobicContact CB-CG 4.32Å; K190-E341 HydrophobicContact CD-CG 4.3Å; N192-E341 HydrophobicContact CB-CB 4.32Å; N192-E341 HydrophobicContact CB-CG 4.42Å; N192-E341 VanDerWaalsContact CB-O 3.3Å; N192-E341 WeakPolarHBondContact CB-O 2.9Å; N192-E341 VanDerWaalsContact CG-O 3.32Å; N192-E341 PolarHBondContact ND2-O 3.36Å; Q193-E341 HydrophobicContact CB-CG 4.49Å; Q193-E341 HydrophobicContact CG-CB 3.81Å; Q193-E341 HydrophobicContact CG-CG 3.38Å; Q193-E341 VanDerWaalsContact NE2-CD 3.29Å; Q193-E341 PolarHBondContact NE2-OE1 3.19Å; H339-E341 VanDerWaalsContact C-OE2 3.29Å; H339-E341 VanDerWaalsContact CA-OE2 3.3Å; H339-E341 WeakPolarHBondContact CA-OE2 3.36Å; H339-E341 IonicContact CE1-OE1 3.88Å; H339-E341 IonicContact CG-OE1 3.46Å; H339-E341 IonicContact ND1-OE1 3.86Å; H339-E341 PolarHBondContact ND1-OE1 3.13Å; H339-E341 PolarHBondContact O-N 3.47Å; E341-A343 PolarHBondContact O-N 3.38Å; E341-A343 VanDerWaalsContact O-N 3.08Å; E341-F353 HydrophobicContact CB-CE2 3.98Å; E341-F353 HydrophobicContact CB-CZ 3.88Å |
| 342 | H | 78.5 | Confident | 88.2 | Confident | 13 Ų | 13 | 11.8 Ų | 11.8 | 6% | 0.06 | 6% | 0.064 | C | C | . | . | trans | -57.7 | 121.5 | -158.4 | -161 | -75.5 | 0 | 0 | 0 | 112.9 | K190 H279 S295 H339 G345 | K190-H342 PolarHBondContact NZ-CD2 2.99Å; K190-H342 PolarHBondContact NZ-NE2 3.44Å; H279-H342 AromaticContact CD2-CE1 3.86Å; H279-H342 AromaticContact CE1-CE1 3.84Å; H279-H342 AromaticContact NE2-CE1 3.16Å; H279-H342 PolarHBondContact NE2-CE1 3.36Å; H279-H342 AromaticContact NE2-ND1 3.84Å; H279-H342 AromaticContact NE2-NE2 3.72Å; S295-H342 VanDerWaalsContact CB-CD2 3.49Å; S295-H342 WeakPolarHBondContact CB-CD2 3.25Å; H339-H342 HydrophobicContact CB-CB 3.98Å; H339-H342 PolarHBondContact O-N 2.8Å; H339-H342 VanDerWaalsContact O-N 3.13Å; H342-G345 PolarHBondContact O-N 3.44Å | ||
| 343 | A | 73.7 | Confident | 88.4 | Confident | 12 Ų | 12 | 10.9 Ų | 10.9 | 10% | 0.099 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 136 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | E39 E77 N192 E341 G345 | E39-A343 HydrophobicContact CG-CB 4.11Å; E77-A343 WeakPolarHBondContact OE1-CB 3.47Å; E77-A343 PolarHBondContact OE1-N 3.47Å; N192-A343 HydrophobicContact CB-CB 4.35Å; E341-A343 PolarHBondContact O-N 3.38Å; E341-A343 VanDerWaalsContact O-N 3.08Å; A343-G345 PolarHBondContact O-N 3.1Å |
| 344 | C | 70.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 14.3 Ų | 14.3 | 13% | 0.128 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.7 | -174.4 | -62 | 0 | 0 | 0 | 0 | 113.4 | E39 H279 Q616 F619 | E39-C344 VanDerWaalsContact CD-SG 3.53Å; E39-C344 HydrophobicContact CG-CB 3.89Å; E39-C344 PolarHBondContact OE1-SG 3.21Å; H279-C344 PolarHBondContact CE1-O 3.18Å; H279-C344 PolarHBondContact ND1-O 2.98Å; H279-C344 VanDerWaalsContact ND1-O 3.15Å; C344-Q616 PolarHBondContact SG-N 3.48Å; C344-F619 HydrophobicContact CB-CD2 4.08Å; C344-F619 HydrophobicContact CB-CE2 4.45Å; C344-F619 WeakPolarHBondContact O-CD2 3.49Å; C344-F619 WeakPolarHBondContact O-CE2 3.33Å; C344-F619 WeakPolarHBondContact O-CZ 3.34Å |
| 345 | G | 77.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 14.6 Ų | 14.6 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -125.4 | -179 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S295 H342 A343 D347 F619 | S295-G345 WeakPolarHBondContact OG-CA 3.26Å; H342-G345 PolarHBondContact O-N 3.44Å; A343-G345 PolarHBondContact O-N 3.1Å; G345-D347 PolarHBondContact O-N 2.86Å; G345-F619 VanDerWaalsContact C-CE1 3.42Å; G345-F619 WeakPolarHBondContact O-CD1 3.33Å; G345-F619 WeakPolarHBondContact O-CG 3.47Å |
| 346 | P | 83.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | trans | -58.8 | 132.6 | 172.9 | 26.2 | -37.3 | 0 | 0 | 0 | 111.8 | H279 I293 S295 D348 | H279-P346 VanDerWaalsContact O-CD 3.23Å; H279-P346 WeakPolarHBondContact O-CD 3.5Å; H279-P346 WeakPolarHBondContact O-CG 3.32Å; I293-P346 HydrophobicContact CB-CB 4.47Å; I293-P346 HydrophobicContact CG2-CB 4.45Å; I293-P346 HydrophobicContact CG2-CG 4.19Å; I293-P346 WeakPolarHBondContact O-CB 3.36Å; I293-P346 VanDerWaalsContact O-CG 3.24Å; I293-P346 WeakPolarHBondContact O-CG 3.21Å; S295-P346 WeakPolarHBondContact OG-CD 3.33Å; P346-D348 VanDerWaalsContact C-N 3.26Å; P346-D348 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 347 | D | 84.1 | Confident | 87.2 | Confident | 66 Ų | 66 | 16.7 Ų | 16.7 | 35% | 0.353 | 9% | 0.088 | S | C | . | . | trans | -88.2 | 8.2 | 174.3 | 63 | -18.3 | 0 | 0 | 0 | 112.9 | G345 T349 E350 S623 | G345-D347 PolarHBondContact O-N 2.86Å; D347-T349 PolarHBondContact O-N 3.07Å; D347-E350 PolarHBondContact O-N 3.22Å; D347-S623 PolarHBondContact OD1-OG 2.94Å; D347-S623 WeakPolarHBondContact OD2-CB 3.11Å; D347-S623 PolarHBondContact OD2-OG 3.32Å; D347-S623 VanDerWaalsContact OD2-OG 3.09Å | ||
| 348 | D | 86.1 | Confident | 86.6 | Confident | 22 Ų | 22 | 21.5 Ų | 21.5 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.8 | -174.2 | -62.7 | 31 | 0 | 0 | 0 | 113.9 | F292 P346 F351 R622 | F292-D348 HydrophobicContact CB-CB 4.43Å; F292-D348 HydrophobicContact CD1-CB 4.28Å; F292-D348 WeakPolarHBondContact CD1-O 3.06Å; P346-D348 VanDerWaalsContact C-N 3.26Å; P346-D348 WeakPolarHBondContact CB-OD1 3.47Å; D348-F351 WeakPolarHBondContact O-CD1 3.48Å; D348-F351 WeakPolarHBondContact O-CE1 3.42Å; D348-R622 IonicContact OD1-CZ 3.02Å; D348-R622 IonicContact OD1-NH1 3.65Å; D348-R622 PolarHBondContact OD1-NH1 2.79Å; D348-R622 IonicContact OD1-NH2 2.73Å; D348-R622 PolarHBondContact OD1-NH2 2.86Å; D348-R622 IonicContact OD2-NH2 3.89Å; D348-R622 PolarHBondContact OD2-NH2 3.44Å |
| 349 | T | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 9.9 | -178.5 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | F292 T294 F338 P340 D347 F351 L352 | F292-T349 HydrophobicContact CB-CG2 3.62Å; F292-T349 HydrophobicContact CD1-CG2 4.12Å; F292-T349 HydrophobicContact CG-CG2 3.93Å; T294-T349 HydrophobicContact CG2-CG2 3.91Å; F338-T349 HydrophobicContact CE2-CG2 3.72Å; F338-T349 WeakPolarHBondContact CE2-OG1 3.36Å; F338-T349 HydrophobicContact CZ-CG2 4.05Å; P340-T349 WeakPolarHBondContact CA-OG1 3.46Å; P340-T349 WeakPolarHBondContact CB-O 3.42Å; D347-T349 PolarHBondContact O-N 3.07Å; T349-F351 HydrophobicContact CG2-CE1 4.42Å; T349-F351 PolarHBondContact O-N 2.85Å; T349-F351 VanDerWaalsContact O-N 3.11Å; T349-L352 WeakPolarHBondContact O-CB 3.22Å; T349-L352 WeakPolarHBondContact O-CG 3.47Å; T349-L352 PolarHBondContact O-N 2.98Å; T349-L352 VanDerWaalsContact O-N 3.08Å |
| 350 | E | 91.1 | Very high | 85.8 | Confident | 39 Ų | 39 | 24 Ų | 24 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.5 | 176.3 | -162.5 | -166.6 | 137.7 | 0 | 0 | 111.4 | K199 R200 D347 L352 F353 | K199-E350 IonicContact NZ-OE1 3.73Å; K199-E350 PolarHBondContact NZ-OE1 2.94Å; K199-E350 VanDerWaalsContact NZ-OE1 3.08Å; K199-E350 IonicContact NZ-OE2 3.3Å; R200-E350 IonicContact CZ-OE1 3.65Å; R200-E350 IonicContact NH1-OE1 3.82Å; R200-E350 PolarHBondContact NH1-OE1 2.88Å; R200-E350 PolarHBondContact NH2-O 2.63Å; R200-E350 IonicContact NH2-OE1 2.69Å; R200-E350 PolarHBondContact NH2-OE1 2.87Å; R200-E350 VanDerWaalsContact NH2-OE1 3.11Å; D347-E350 PolarHBondContact O-N 3.22Å; E350-L352 PolarHBondContact O-N 2.96Å; E350-F353 HydrophobicContact CG-CD2 4.23Å; E350-F353 WeakPolarHBondContact O-CB 3.14Å; E350-F353 WeakPolarHBondContact O-CD2 3.49Å; E350-F353 PolarHBondContact O-N 2.99Å |
| 351 | F | 88.6 | Confident | 85.1 | Confident | 46 Ų | 46 | 29 Ų | 29 | 20% | 0.202 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.2 | -17.9 | 176.6 | 77.3 | -92.2 | 0 | 0 | 0 | 113.8 | F292 D348 T349 F353 D354 I355 L372 | F292-F351 HydrophobicContact CD1-CE1 4.1Å; F292-F351 AromaticContact CE1-CE1 3.59Å; F292-F351 HydrophobicContact CE1-CE1 3.59Å; F292-F351 HydrophobicContact CE1-CZ 4.12Å; F292-F351 AromaticContact CZ-CE1 3.96Å; F292-F351 HydrophobicContact CZ-CE1 3.96Å; F292-F351 AromaticContact CZ-CZ 3.99Å; F292-F351 HydrophobicContact CZ-CZ 3.99Å; D348-F351 WeakPolarHBondContact O-CD1 3.48Å; D348-F351 WeakPolarHBondContact O-CE1 3.42Å; T349-F351 HydrophobicContact CG2-CE1 4.42Å; T349-F351 PolarHBondContact O-N 2.85Å; T349-F351 VanDerWaalsContact O-N 3.11Å; F351-F353 PolarHBondContact O-N 2.66Å; F351-D354 WeakPolarHBondContact CA-OD2 3.29Å; F351-D354 WeakPolarHBondContact O-CA 3.4Å; F351-D354 WeakPolarHBondContact O-CB 3.44Å; F351-D354 PolarHBondContact O-N 2.78Å; F351-I355 HydrophobicContact CD2-CD1 3.77Å; F351-I355 HydrophobicContact CD2-CG1 4.22Å; F351-I355 HydrophobicContact CE2-CD1 3.67Å; F351-I355 PolarHBondContact O-N 2.96Å; F351-L372 HydrophobicContact CD2-CD1 4Å; F351-L372 HydrophobicContact CE2-CD1 4.19Å |
| 352 | L | 91.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -27.3 | 173.8 | -66.2 | 178.3 | 0 | 0 | 0 | 112.4 | M252 F315 F334 V336 F338 P340 T349 E350 I355 F356 | M252-L352 HydrophobicContact CE-CB 4.03Å; F315-L352 HydrophobicContact CE2-CD1 4.42Å; F315-L352 HydrophobicContact CE2-CD2 4.29Å; F315-L352 HydrophobicContact CZ-CD2 4.47Å; F334-L352 HydrophobicContact CE2-CB 4.43Å; F334-L352 HydrophobicContact CE2-CD2 4.35Å; V336-L352 HydrophobicContact CB-CD1 4.48Å; V336-L352 HydrophobicContact CG1-CD1 3.73Å; V336-L352 HydrophobicContact CG2-CD1 4.12Å; F338-L352 HydrophobicContact CE2-CD1 3.76Å; F338-L352 HydrophobicContact CZ-CD1 3.94Å; P340-L352 HydrophobicContact CB-CD1 4.16Å; P340-L352 HydrophobicContact CG-CD1 4.47Å; T349-L352 WeakPolarHBondContact O-CB 3.22Å; T349-L352 WeakPolarHBondContact O-CG 3.47Å; T349-L352 PolarHBondContact O-N 2.98Å; T349-L352 VanDerWaalsContact O-N 3.08Å; E350-L352 PolarHBondContact O-N 2.96Å; L352-I355 HydrophobicContact CD2-CD1 4.19Å; L352-I355 PolarHBondContact O-N 3.33Å; L352-F356 PolarHBondContact O-N 2.88Å |
| 353 | F | 92.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.5 | -31.4 | 171.5 | -71.3 | -82.9 | 0 | 0 | 0 | 112.3 | C196 L197 F222 M252 P340 E341 E350 F351 F356 K357 | C196-F353 HydrophobicContact CB-CD1 3.99Å; C196-F353 HydrophobicContact CB-CD2 3.86Å; C196-F353 HydrophobicContact CB-CE1 3.95Å; C196-F353 HydrophobicContact CB-CE2 3.83Å; C196-F353 HydrophobicContact CB-CG 3.95Å; C196-F353 HydrophobicContact CB-CZ 3.89Å; L197-F353 HydrophobicContact CD2-CD1 3.84Å; L197-F353 HydrophobicContact CD2-CE1 4.18Å; L197-F353 HydrophobicContact CG-CD1 4Å; L197-F353 HydrophobicContact CG-CE1 3.98Å; F222-F353 HydrophobicContact CE2-CD1 4.31Å; F222-F353 AromaticContact CE2-CE1 3.59Å; F222-F353 HydrophobicContact CE2-CE1 3.59Å; F222-F353 HydrophobicContact CE2-CZ 4.31Å; F222-F353 AromaticContact CZ-CE1 3.84Å; F222-F353 HydrophobicContact CZ-CE1 3.84Å; F222-F353 HydrophobicContact CZ-CZ 4.2Å; M252-F353 HydrophobicContact CE-CE1 4.39Å; M252-F353 HydrophobicContact CE-CZ 4.41Å; P340-F353 HydrophobicContact CB-CE2 4.07Å; P340-F353 HydrophobicContact CG-CE2 3.96Å; P340-F353 HydrophobicContact CG-CZ 4.4Å; E341-F353 HydrophobicContact CB-CE2 3.98Å; E341-F353 HydrophobicContact CB-CZ 3.88Å; E350-F353 HydrophobicContact CG-CD2 4.23Å; E350-F353 WeakPolarHBondContact O-CB 3.14Å; E350-F353 WeakPolarHBondContact O-CD2 3.49Å; E350-F353 PolarHBondContact O-N 2.99Å; F351-F353 PolarHBondContact O-N 2.66Å; F353-F356 PolarHBondContact O-N 2.99Å; F353-K357 PolarHBondContact O-N 3.44Å; F353-K357 VanDerWaalsContact O-N 3.11Å |
| 354 | D | 87.9 | Confident | 82.5 | Confident | 72 Ų | 72 | 38.8 Ų | 38.8 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.4 | -44.3 | 172.2 | -59.5 | -54.6 | 0 | 0 | 0 | 110.1 | R200 F351 F356 K357 E358 | R200-D354 IonicContact CZ-OD1 2.79Å; R200-D354 IonicContact CZ-OD2 2.73Å; R200-D354 VanDerWaalsContact NE-CG 3.33Å; R200-D354 IonicContact NE-OD1 2.85Å; R200-D354 PolarHBondContact NE-OD1 3.5Å; R200-D354 IonicContact NE-OD2 3.78Å; R200-D354 IonicContact NH2-OD1 3.35Å; R200-D354 PolarHBondContact NH2-OD1 2.8Å; R200-D354 IonicContact NH2-OD2 2.67Å; R200-D354 PolarHBondContact NH2-OD2 2.89Å; F351-D354 WeakPolarHBondContact CA-OD2 3.29Å; F351-D354 WeakPolarHBondContact O-CA 3.4Å; F351-D354 WeakPolarHBondContact O-CB 3.44Å; F351-D354 PolarHBondContact O-N 2.78Å; D354-F356 VanDerWaalsContact C-N 3.32Å; D354-F356 PolarHBondContact O-N 2.95Å; D354-K357 PolarHBondContact O-N 2.85Å; D354-K357 VanDerWaalsContact O-N 3.16Å; D354-E358 WeakPolarHBondContact O-CG 3.18Å; D354-E358 PolarHBondContact O-N 2.68Å |
| 355 | I | 87.3 | Confident | 82.2 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 172.6 | -70 | -176.4 | 0 | 0 | 0 | 111.1 | F334 F351 L352 K357 E358 M359 I365 L368 V369 L372 | F334-I355 HydrophobicContact CE1-CG2 4.48Å; F334-I355 HydrophobicContact CZ-CG2 4.49Å; F351-I355 HydrophobicContact CD2-CD1 3.77Å; F351-I355 HydrophobicContact CD2-CG1 4.22Å; F351-I355 HydrophobicContact CE2-CD1 3.67Å; F351-I355 PolarHBondContact O-N 2.96Å; L352-I355 HydrophobicContact CD2-CD1 4.19Å; L352-I355 PolarHBondContact O-N 3.33Å; I355-K357 VanDerWaalsContact C-N 3.32Å; I355-K357 PolarHBondContact O-N 3.07Å; I355-E358 PolarHBondContact O-N 2.98Å; I355-M359 HydrophobicContact CG2-CG 4.45Å; I355-M359 HydrophobicContact CG2-SD 3.9Å; I355-M359 VanDerWaalsContact O-CG 3.24Å; I355-M359 WeakPolarHBondContact O-CG 3.38Å; I355-M359 PolarHBondContact O-N 3Å; I355-M359 VanDerWaalsContact O-N 3.07Å; I355-I365 HydrophobicContact CG2-CB 4.44Å; I355-I365 HydrophobicContact CG2-CD1 3.94Å; I355-I365 HydrophobicContact CG2-CG1 3.83Å; I355-L368 HydrophobicContact CG2-CD1 3.97Å; I355-V369 HydrophobicContact CD1-CG2 4.17Å; I355-L372 HydrophobicContact CD1-CD1 3.92Å; I355-L372 HydrophobicContact CG1-CD1 4.25Å |
| 356 | F | 91.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 178.1 | -176.9 | -123.3 | 0 | 0 | 0 | 112 | I182 L197 F222 P250 M252 F334 L352 F353 D354 M359 F360 | I182-F356 HydrophobicContact CD1-CE1 4.08Å; I182-F356 HydrophobicContact CG2-CE1 4.28Å; I182-F356 HydrophobicContact CG2-CZ 4.4Å; L197-F356 HydrophobicContact CD2-CD1 3.98Å; L197-F356 HydrophobicContact CD2-CE1 4.12Å; F222-F356 HydrophobicContact CD2-CD1 4.47Å; F222-F356 HydrophobicContact CD2-CE1 4.17Å; P250-F356 HydrophobicContact CB-CD2 4.28Å; P250-F356 HydrophobicContact CB-CE2 3.86Å; M252-F356 HydrophobicContact CB-CB 4.45Å; M252-F356 HydrophobicContact CB-CD1 4.4Å; M252-F356 HydrophobicContact CB-CD2 3.44Å; M252-F356 VanDerWaalsContact CB-CD2 3.44Å; M252-F356 HydrophobicContact CB-CE2 3.62Å; M252-F356 HydrophobicContact CB-CG 3.86Å; M252-F356 HydrophobicContact CB-CZ 4.19Å; M252-F356 HydrophobicContact SD-CB 3.72Å; M252-F356 HydrophobicContact SD-CD1 4.39Å; M252-F356 HydrophobicContact SD-CD2 4.46Å; M252-F356 HydrophobicContact SD-CG 3.96Å; F334-F356 HydrophobicContact CE1-CB 4.34Å; F334-F356 HydrophobicContact CE1-CD2 4.28Å; F334-F356 HydrophobicContact CZ-CB 4.35Å; L352-F356 PolarHBondContact O-N 2.88Å; F353-F356 PolarHBondContact O-N 2.99Å; D354-F356 VanDerWaalsContact C-N 3.32Å; D354-F356 PolarHBondContact O-N 2.95Å; F356-M359 PolarHBondContact O-N 2.79Å; F356-F360 HydrophobicContact CD1-CE2 4.33Å; F356-F360 HydrophobicContact CD2-CE2 4.47Å; F356-F360 HydrophobicContact CE1-CE2 4.18Å; F356-F360 HydrophobicContact CE1-CZ 4.23Å; F356-F360 HydrophobicContact CE2-CE2 4.33Å; F356-F360 HydrophobicContact CE2-CZ 4.33Å; F356-F360 HydrophobicContact CG-CE2 4.48Å; F356-F360 HydrophobicContact CZ-CE2 4.19Å; F356-F360 AromaticContact CZ-CZ 3.97Å; F356-F360 HydrophobicContact CZ-CZ 3.97Å; F356-F360 WeakPolarHBondContact O-CD2 3.39Å; F356-F360 WeakPolarHBondContact O-CE2 3.45Å |
| 357 | K | 87.5 | Confident | 80.3 | Confident | 45 Ų | 45 | 44 Ų | 44 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.1 | -179.5 | 173.8 | 175.2 | 174.1 | 0 | 112.5 | R200 I202 F353 D354 I355 M359 F360 Y361 | R200-K357 HydrophobicContact CB-CD 4.11Å; R200-K357 WeakPolarHBondContact O-CD 3.48Å; R200-K357 WeakPolarHBondContact O-CE 3.23Å; R200-K357 PolarHBondContact O-NZ 3.29Å; I202-K357 HydrophobicContact CD1-CB 4.33Å; F353-K357 PolarHBondContact O-N 3.44Å; F353-K357 VanDerWaalsContact O-N 3.11Å; D354-K357 PolarHBondContact O-N 2.85Å; D354-K357 VanDerWaalsContact O-N 3.16Å; I355-K357 VanDerWaalsContact C-N 3.32Å; I355-K357 PolarHBondContact O-N 3.07Å; K357-M359 VanDerWaalsContact C-N 3.28Å; K357-M359 PolarHBondContact O-N 2.77Å; K357-F360 VanDerWaalsContact O-CD2 3.32Å; K357-F360 WeakPolarHBondContact O-CD2 3.36Å; K357-F360 PolarHBondContact O-N 2.8Å; K357-Y361 HydrophobicContact CG-CE2 4.22Å; K357-Y361 VanDerWaalsContact O-CD2 3.31Å; K357-Y361 WeakPolarHBondContact O-CD2 3.26Å; K357-Y361 WeakPolarHBondContact O-CE2 3.34Å |
| 358 | E | 85.2 | Confident | 79 | Confident | 100 Ų | 100 | 41.9 Ų | 41.9 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.5 | -28 | -179 | -71.2 | -62.6 | 154.7 | 0 | 0 | 113.1 | D354 I355 F360 Y361 L368 | D354-E358 WeakPolarHBondContact O-CG 3.18Å; D354-E358 PolarHBondContact O-N 2.68Å; I355-E358 PolarHBondContact O-N 2.98Å; E358-F360 PolarHBondContact O-N 2.86Å; E358-F360 VanDerWaalsContact O-N 3.12Å; E358-Y361 PolarHBondContact O-N 3.34Å; E358-L368 HydrophobicContact CB-CD1 3.93Å; E358-L368 HydrophobicContact CB-CD2 4.14Å |
| 359 | M | 87.1 | Confident | 77.7 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 5% | 0.054 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.8 | 178.9 | -72.6 | 167.8 | 63.5 | 0 | 0 | 114.1 | P250 P332 F334 I355 F356 K357 I365 L368 | P250-M359 HydrophobicContact CB-CB 4.13Å; P250-M359 HydrophobicContact CB-CE 4.43Å; P250-M359 HydrophobicContact CG-CB 4.06Å; P332-M359 HydrophobicContact CB-CE 3.33Å; P332-M359 WeakPolarHBondContact O-CE 3.43Å; F334-M359 HydrophobicContact CD1-CE 3.94Å; F334-M359 HydrophobicContact CD1-SD 3.77Å; F334-M359 HydrophobicContact CE1-CE 4.25Å; F334-M359 HydrophobicContact CE1-SD 3.6Å; F334-M359 VanDerWaalsContact CE1-SD 3.6Å; I355-M359 HydrophobicContact CG2-CG 4.45Å; I355-M359 HydrophobicContact CG2-SD 3.9Å; I355-M359 VanDerWaalsContact O-CG 3.24Å; I355-M359 WeakPolarHBondContact O-CG 3.38Å; I355-M359 PolarHBondContact O-N 3Å; I355-M359 VanDerWaalsContact O-N 3.07Å; F356-M359 PolarHBondContact O-N 2.79Å; K357-M359 VanDerWaalsContact C-N 3.28Å; K357-M359 PolarHBondContact O-N 2.77Å; M359-I365 HydrophobicContact SD-CB 4.31Å; M359-L368 HydrophobicContact CG-CD1 3.9Å |
| 360 | F | 85.1 | Confident | 75.9 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -21.5 | 174.5 | -66.7 | -92 | 0 | 0 | 0 | 113.3 | V180 I182 D219 P250 F356 K357 E358 | V180-F360 HydrophobicContact CG1-CD1 3.6Å; V180-F360 HydrophobicContact CG1-CD2 4.01Å; V180-F360 HydrophobicContact CG1-CE1 3.46Å; V180-F360 VanDerWaalsContact CG1-CE1 3.46Å; V180-F360 HydrophobicContact CG1-CE2 3.92Å; V180-F360 HydrophobicContact CG1-CG 3.88Å; V180-F360 HydrophobicContact CG1-CZ 3.65Å; V180-F360 HydrophobicContact CG2-CB 4.49Å; V180-F360 HydrophobicContact CG2-CG 4.43Å; I182-F360 HydrophobicContact CG2-CE1 4.22Å; I182-F360 HydrophobicContact CG2-CZ 3.67Å; D219-F360 VanDerWaalsContact C-CE1 3.44Å; D219-F360 HydrophobicContact CB-CD1 4.05Å; D219-F360 HydrophobicContact CB-CE1 3.89Å; D219-F360 WeakPolarHBondContact O-CE1 3.12Å; P250-F360 HydrophobicContact CB-CE1 4.4Å; P250-F360 HydrophobicContact CB-CE2 4.31Å; P250-F360 HydrophobicContact CB-CZ 4.17Å; P250-F360 HydrophobicContact CG-CD1 3.98Å; P250-F360 HydrophobicContact CG-CD2 4.33Å; P250-F360 HydrophobicContact CG-CE1 4.08Å; P250-F360 HydrophobicContact CG-CE2 4.41Å; P250-F360 HydrophobicContact CG-CG 4.12Å; P250-F360 HydrophobicContact CG-CZ 4.28Å; F356-F360 HydrophobicContact CD1-CE2 4.33Å; F356-F360 HydrophobicContact CD2-CE2 4.47Å; F356-F360 HydrophobicContact CE1-CE2 4.18Å; F356-F360 HydrophobicContact CE1-CZ 4.23Å; F356-F360 HydrophobicContact CE2-CE2 4.33Å; F356-F360 HydrophobicContact CE2-CZ 4.33Å; F356-F360 HydrophobicContact CG-CE2 4.48Å; F356-F360 HydrophobicContact CZ-CE2 4.19Å; F356-F360 AromaticContact CZ-CZ 3.97Å; F356-F360 HydrophobicContact CZ-CZ 3.97Å; F356-F360 WeakPolarHBondContact O-CD2 3.39Å; F356-F360 WeakPolarHBondContact O-CE2 3.45Å; K357-F360 VanDerWaalsContact O-CD2 3.32Å; K357-F360 WeakPolarHBondContact O-CD2 3.36Å; K357-F360 PolarHBondContact O-N 2.8Å; E358-F360 PolarHBondContact O-N 2.86Å; E358-F360 VanDerWaalsContact O-N 3.12Å |
| 361 | Y | 77.6 | Confident | 73.9 | Confident | 107 Ų | 107 | 49.2 Ų | 49.2 | 42% | 0.42 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -39.2 | -167.3 | -59.7 | -81.7 | 0 | 0 | 0 | 114.3 | E178 V180 K357 E358 | E178-Y361 PolarHBondContact OE2-OH 2.88Å; V180-Y361 WeakPolarHBondContact CG2-OH 3.28Å; K357-Y361 HydrophobicContact CG-CE2 4.22Å; K357-Y361 VanDerWaalsContact O-CD2 3.31Å; K357-Y361 WeakPolarHBondContact O-CD2 3.26Å; K357-Y361 WeakPolarHBondContact O-CE2 3.34Å; E358-Y361 PolarHBondContact O-N 3.34Å |
| 362 | A | 62 | Low | 72.1 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 81% | 0.81 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -168 | 2.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 363 | A | 60.3 | Low | 70.1 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -130.6 | 150.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L368 | A363-L368 HydrophobicContact CB-CD1 3.83Å; A363-L368 HydrophobicContact CB-CD2 3.66Å; A363-L368 HydrophobicContact CB-CG 3.54Å | ||
| 364 | Y | 65 | Low | 68.3 | Low | 111 Ų | 111 | 55.7 Ų | 55.7 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | trans | -96.9 | 149.9 | 163.8 | 37.1 | -91.2 | 0 | 0 | 0 | 110 | L366 E367 L368 | Y364-L366 VanDerWaalsContact C-N 3.29Å; Y364-L366 PolarHBondContact O-N 3.48Å; Y364-L366 VanDerWaalsContact O-N 3.14Å; Y364-E367 HydrophobicContact CD2-CB 3.91Å; Y364-E367 HydrophobicContact CE2-CB 3.68Å; Y364-E367 VanDerWaalsContact CE2-OE2 3.29Å; Y364-E367 WeakPolarHBondContact CE2-OE2 3.08Å; Y364-E367 PolarHBondContact O-N 2.8Å; Y364-E367 PolarHBondContact OH-OE2 2.83Å; Y364-L368 PolarHBondContact O-N 3.39Å | ||
| 365 | I | 64.2 | Low | 65.9 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.5 | -40.5 | -167.7 | -173.5 | 160.9 | 0 | 0 | 0 | 114.1 | L314 A327 F334 I355 M359 E367 L368 V369 | L314-I365 HydrophobicContact CD2-CD1 3.73Å; A327-I365 HydrophobicContact CB-CG2 3.75Å; F334-I365 HydrophobicContact CB-CD1 3.67Å; F334-I365 HydrophobicContact CB-CG2 4.42Å; F334-I365 HydrophobicContact CD1-CD1 3.68Å; F334-I365 HydrophobicContact CD2-CD1 3.45Å; F334-I365 VanDerWaalsContact CD2-CD1 3.45Å; F334-I365 HydrophobicContact CE1-CD1 4.11Å; F334-I365 HydrophobicContact CE2-CD1 3.91Å; F334-I365 HydrophobicContact CG-CD1 3.3Å; F334-I365 HydrophobicContact CZ-CD1 4.21Å; I355-I365 HydrophobicContact CG2-CB 4.44Å; I355-I365 HydrophobicContact CG2-CD1 3.94Å; I355-I365 HydrophobicContact CG2-CG1 3.83Å; M359-I365 HydrophobicContact SD-CB 4.31Å; I365-E367 PolarHBondContact O-N 2.78Å; I365-L368 PolarHBondContact O-N 2.85Å; I365-L368 VanDerWaalsContact O-N 3.14Å; I365-V369 HydrophobicContact CG1-CG2 3.96Å; I365-V369 VanDerWaalsContact O-CG2 3.27Å; I365-V369 WeakPolarHBondContact O-CG2 3.37Å; I365-V369 PolarHBondContact O-N 3.44Å |
| 366 | L | 59.6 | Low | 63.4 | Low | 49 Ų | 49 | 64.7 Ų | 64.7 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -29.7 | -176.7 | -62.5 | 173 | 0 | 0 | 0 | 112.7 | E312 L314 Y364 C370 | E312-L366 WeakPolarHBondContact OE1-CD1 3.48Å; E312-L366 WeakPolarHBondContact OE1-CD2 3.46Å; L314-L366 HydrophobicContact CD1-CD2 4.39Å; Y364-L366 VanDerWaalsContact C-N 3.29Å; Y364-L366 PolarHBondContact O-N 3.48Å; Y364-L366 VanDerWaalsContact O-N 3.14Å; L366-C370 PolarHBondContact O-N 3.46Å; L366-C370 PolarHBondContact O-SG 2.93Å |
| 367 | E | 62.7 | Low | 60.6 | Low | 86 Ų | 86 | 72.2 Ų | 72.2 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.8 | -42.2 | 173.7 | -166.7 | 168.5 | 178 | 0 | 0 | 110.9 | Y364 I365 V369 C370 I371 | Y364-E367 HydrophobicContact CD2-CB 3.91Å; Y364-E367 HydrophobicContact CE2-CB 3.68Å; Y364-E367 VanDerWaalsContact CE2-OE2 3.29Å; Y364-E367 WeakPolarHBondContact CE2-OE2 3.08Å; Y364-E367 PolarHBondContact O-N 2.8Å; Y364-E367 PolarHBondContact OH-OE2 2.83Å; I365-E367 PolarHBondContact O-N 2.78Å; E367-V369 PolarHBondContact O-N 2.76Å; E367-C370 WeakPolarHBondContact O-CB 3.31Å; E367-C370 PolarHBondContact O-N 2.95Å; E367-C370 VanDerWaalsContact O-N 3.1Å; E367-I371 HydrophobicContact CG-CD1 4.11Å; E367-I371 VanDerWaalsContact O-CG1 3.3Å; E367-I371 WeakPolarHBondContact O-CG1 3.45Å; E367-I371 PolarHBondContact O-N 2.71Å |
| 368 | L | 57.3 | Low | 57.8 | Low | 21 Ų | 21 | 78.8 Ų | 78.8 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.2 | -70.4 | 170 | 0 | 0 | 0 | 112.4 | I355 E358 M359 A363 Y364 I365 C370 I371 L372 | I355-L368 HydrophobicContact CG2-CD1 3.97Å; E358-L368 HydrophobicContact CB-CD1 3.93Å; E358-L368 HydrophobicContact CB-CD2 4.14Å; M359-L368 HydrophobicContact CG-CD1 3.9Å; A363-L368 HydrophobicContact CB-CD1 3.83Å; A363-L368 HydrophobicContact CB-CD2 3.66Å; A363-L368 HydrophobicContact CB-CG 3.54Å; Y364-L368 PolarHBondContact O-N 3.39Å; I365-L368 PolarHBondContact O-N 2.85Å; I365-L368 VanDerWaalsContact O-N 3.14Å; L368-C370 PolarHBondContact O-N 2.95Å; L368-I371 HydrophobicContact CD2-CD1 4.47Å; L368-I371 PolarHBondContact O-N 3.43Å; L368-I371 VanDerWaalsContact O-N 3.16Å; L368-L372 WeakPolarHBondContact O-CG 3.39Å; L368-L372 PolarHBondContact O-N 2.95Å |
| 369 | V | 57.4 | Low | 55.1 | Low | 19 Ų | 19 | 82 Ų | 82 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L285 I355 I365 E367 L374 | L285-V369 HydrophobicContact CD1-CG1 4.1Å; L285-V369 HydrophobicContact CD2-CG1 3.65Å; L285-V369 HydrophobicContact CG-CG1 4.34Å; I355-V369 HydrophobicContact CD1-CG2 4.17Å; I365-V369 HydrophobicContact CG1-CG2 3.96Å; I365-V369 VanDerWaalsContact O-CG2 3.27Å; I365-V369 WeakPolarHBondContact O-CG2 3.37Å; I365-V369 PolarHBondContact O-N 3.44Å; E367-V369 PolarHBondContact O-N 2.76Å; V369-L374 HydrophobicContact CG1-CD1 3.99Å |
| 370 | C | 54 | Low | 52.3 | Low | 76 Ų | 76 | 87.2 Ų | 87.2 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | L366 E367 L368 L372 G373 | L366-C370 PolarHBondContact O-N 3.46Å; L366-C370 PolarHBondContact O-SG 2.93Å; E367-C370 WeakPolarHBondContact O-CB 3.31Å; E367-C370 PolarHBondContact O-N 2.95Å; E367-C370 VanDerWaalsContact O-N 3.1Å; L368-C370 PolarHBondContact O-N 2.95Å; C370-L372 PolarHBondContact O-N 3.28Å; C370-G373 PolarHBondContact O-N 3.49Å |
| 371 | I | 48.8 | Very low | 49.6 | Very low | 120 Ų | 120 | 92.5 Ų | 92.5 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.3 | -31.9 | 178.4 | -69.7 | 164.4 | 0 | 0 | 0 | 111.4 | E367 L368 G373 | E367-I371 HydrophobicContact CG-CD1 4.11Å; E367-I371 VanDerWaalsContact O-CG1 3.3Å; E367-I371 WeakPolarHBondContact O-CG1 3.45Å; E367-I371 PolarHBondContact O-N 2.71Å; L368-I371 HydrophobicContact CD2-CD1 4.47Å; L368-I371 PolarHBondContact O-N 3.43Å; L368-I371 VanDerWaalsContact O-N 3.16Å; I371-G373 PolarHBondContact O-N 3.06Å |
| 372 | L | 51 | Low | 47.5 | Very low | 95 Ų | 95 | 88.5 Ų | 88.5 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 7 | 176.6 | -68.8 | 170.2 | 0 | 0 | 0 | 114.5 | F351 I355 L368 C370 L374 | F351-L372 HydrophobicContact CD2-CD1 4Å; F351-L372 HydrophobicContact CE2-CD1 4.19Å; I355-L372 HydrophobicContact CD1-CD1 3.92Å; I355-L372 HydrophobicContact CG1-CD1 4.25Å; L368-L372 WeakPolarHBondContact O-CG 3.39Å; L368-L372 PolarHBondContact O-N 2.95Å; C370-L372 PolarHBondContact O-N 3.28Å; L372-L374 HydrophobicContact CB-CD1 4.13Å; L372-L374 HydrophobicContact CB-CG 4.2Å; L372-L374 PolarHBondContact O-N 3.27Å |
| 373 | G | 49.4 | Very low | 46.4 | Very low | 62 Ų | 62 | 85.8 Ų | 85.8 | 64% | 0.639 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 22 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | C370 I371 R375 | C370-G373 PolarHBondContact O-N 3.49Å; I371-G373 PolarHBondContact O-N 3.06Å; G373-R375 VanDerWaalsContact C-N 3.27Å; G373-R375 PolarHBondContact O-N 2.95Å; G373-R375 VanDerWaalsContact O-N 3.12Å |
| 374 | L | 53.1 | Low | 45.3 | Very low | 27 Ų | 27 | 85 Ų | 85 | 14% | 0.141 | 43% | 0.426 | C | S | . | . | trans | -79.9 | 13.9 | -167.6 | -64.8 | 169.5 | 0 | 0 | 0 | 115.7 | L285 R290 F292 V369 L372 | L285-L374 HydrophobicContact CD2-CB 4.41Å; L285-L374 HydrophobicContact CD2-CD1 3.65Å; R290-L374 HydrophobicContact CG-CB 4.11Å; R290-L374 HydrophobicContact CG-CD2 3.92Å; F292-L374 HydrophobicContact CZ-CD2 4.47Å; V369-L374 HydrophobicContact CG1-CD1 3.99Å; L372-L374 HydrophobicContact CB-CD1 4.13Å; L372-L374 HydrophobicContact CB-CG 4.2Å; L372-L374 PolarHBondContact O-N 3.27Å | ||
| 375 | R | 38.7 | Very low | 44.1 | Very low | 180 Ų | 180 | 80.1 Ų | 80.1 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | trans | -123.1 | 117.5 | 177.1 | -71.2 | -173.6 | 172.8 | 170.9 | 4.9 | 110.8 | G287 G373 | G287-R375 PolarHBondContact O-NE 2.77Å; G287-R375 PolarHBondContact O-NH2 3.37Å; G373-R375 VanDerWaalsContact C-N 3.27Å; G373-R375 PolarHBondContact O-N 2.95Å; G373-R375 VanDerWaalsContact O-N 3.12Å | ||
| 376 | C | 35 | Very low | 43.3 | Very low | 87 Ų | 87 | 80.2 Ų | 80.2 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | trans | -124.3 | 161.7 | -173.1 | -146.8 | 0 | 0 | 0 | 0 | 113.4 | Y584 | C376-Y584 HydrophobicContact CB-CD1 4.21Å; C376-Y584 HydrophobicContact CB-CE1 4.43Å | ||
| 377 | H | 32.7 | Very low | 42.1 | Very low | 157 Ų | 157 | 81.1 Ų | 81.1 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | trans | -98.5 | 157.7 | -164.4 | -69.6 | -70.9 | 0 | 0 | 0 | 115.7 | ||||
| 378 | E | 27.8 | Very low | 41.1 | Very low | 184 Ų | 184 | 79.4 Ų | 79.4 | 86% | 0.86 | 40% | 0.401 | S | S | * | . | trans | -72 | 153.9 | -173.8 | -69.4 | 178.5 | 142.6 | 0 | 0 | 116 | ||||
| 379 | F | 29.1 | Very low | 40.4 | Very low | 166 Ų | 166 | 79.9 Ų | 79.9 | 73% | 0.728 | 41% | 0.406 | S | S | * | . | trans | -143.6 | 168.7 | 178.6 | -81.9 | -85.3 | 0 | 0 | 0 | 114.3 | ||||
| 380 | V | 28.6 | Very low | 39.8 | Very low | 121 Ų | 121 | 79.4 Ų | 79.4 | 73% | 0.733 | 40% | 0.402 | S | S | * | . | trans | -111.1 | 154.1 | -165.3 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 381 | R | 27.6 | Very low | 40.1 | Very low | 154 Ų | 154 | 75.8 Ų | 75.8 | 58% | 0.581 | 38% | 0.377 | S | S | * | . | trans | -85.4 | 148.3 | -167.5 | -59.9 | 170.8 | 173.2 | 174.6 | -5.2 | 114.5 | L684 | R381-L684 HydrophobicContact CB-CD2 4.32Š| ||
| 382 | L | 33.4 | Very low | 41.2 | Very low | 24 Ų | 24 | 70.1 Ų | 70.1 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | trans | 171 | -157.4 | 151.7 | -111.6 | 95.9 | 0 | 0 | 0 | 120.4 | P444 D445 G446 L477 | L382-P444 HydrophobicContact CD2-CB 4.19Å; L382-D445 HydrophobicContact CB-CB 4.42Å; L382-D445 HydrophobicContact CD1-CB 3.72Å; L382-D445 WeakPolarHBondContact CD1-OD2 3.43Å; L382-D445 HydrophobicContact CD2-CB 3.54Å; L382-D445 WeakPolarHBondContact CD2-OD2 3.29Å; L382-D445 HydrophobicContact CG-CB 4.03Å; L382-G446 VanDerWaalsContact CD2-N 3.33Å; L382-L477 VanDerWaalsContact CA-CD1 3.46Å; L382-L477 HydrophobicContact CB-CD1 3.99Å; L382-L477 VanDerWaalsContact N-CD1 3.29Å; L382-L477 WeakPolarHBondContact O-CD1 3.25Å | ||
| 383 | Y | 38.8 | Very low | 42.5 | Very low | 40 Ų | 40 | 66.1 Ų | 66.1 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -172.1 | -142.6 | -60.1 | -158.7 | 0 | 0 | 0 | 118.7 | V403 R404 V406 P444 G446 I447 L448 | Y383-V403 HydrophobicContact CD2-CG1 3.89Å; Y383-V403 HydrophobicContact CE2-CG1 4.23Å; Y383-R404 WeakPolarHBondContact CD1-O 3.34Å; Y383-R404 WeakPolarHBondContact CD2-O 3.4Å; Y383-R404 HydrophobicContact CE1-CB 4.42Å; Y383-R404 WeakPolarHBondContact CE1-O 3.33Å; Y383-R404 HydrophobicContact CE2-CB 4.41Å; Y383-R404 WeakPolarHBondContact CE2-O 3.31Å; Y383-R404 VanDerWaalsContact CG-O 3.24Å; Y383-V406 HydrophobicContact CD1-CB 4.2Å; Y383-V406 HydrophobicContact CD1-CG2 3.92Å; Y383-V406 HydrophobicContact CE1-CG2 4Å; Y383-P444 HydrophobicContact CD1-CB 4.07Å; Y383-P444 HydrophobicContact CE1-CB 4.48Å; Y383-P444 HydrophobicContact CG-CB 4.3Å; Y383-G446 WeakPolarHBondContact CB-O 3.27Å; Y383-G446 PolarHBondContact N-O 3.37Å; Y383-I447 CarbonylContact O-C 3.41Å; Y383-I447 WeakPolarHBondContact O-CA 3.4Å; Y383-L448 WeakPolarHBondContact O-CB 3.42Å; Y383-L448 WeakPolarHBondContact O-CG 3.32Å; Y383-L448 PolarHBondContact O-N 3.24Å |
| 384 | V | 36.9 | Very low | 44 | Very low | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.9 | -162.3 | -157.8 | 0 | 0 | 0 | 0 | 118.7 | R386 L398 L448 F451 | V384-R386 VanDerWaalsContact CG1-CD 3.49Å; V384-R386 HydrophobicContact CG1-CG 3.5Å; V384-R386 VanDerWaalsContact CG1-CG 3.5Å; V384-L398 HydrophobicContact CG2-CD1 3.25Å; V384-L448 HydrophobicContact CB-CB 4.01Å; V384-L448 HydrophobicContact CB-CD1 4.45Å; V384-L448 HydrophobicContact CG1-CB 3.68Å; V384-L448 HydrophobicContact CG1-CD1 4.47Å; V384-L448 HydrophobicContact CG2-CB 3.93Å; V384-L448 HydrophobicContact CG2-CD1 3.47Å; V384-L448 VanDerWaalsContact CG2-CD1 3.47Å; V384-L448 HydrophobicContact CG2-CG 4.16Å; V384-F451 HydrophobicContact CG1-CB 3.93Å; V384-F451 HydrophobicContact CG1-CG 4.42Å |
| 385 | L | 39.4 | Very low | 45.3 | Very low | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | trans | -121 | 136 | 170.3 | -69.2 | 179.8 | 0 | 0 | 0 | 113.4 | I408 V435 I447 L448 | L385-I408 HydrophobicContact CD2-CB 4.11Å; L385-I408 HydrophobicContact CD2-CD1 3.47Å; L385-I408 VanDerWaalsContact CD2-CD1 3.47Å; L385-I408 HydrophobicContact CD2-CG1 3.74Å; L385-V435 HydrophobicContact CD1-CG1 3.82Å; L385-V435 HydrophobicContact CD2-CG1 4.3Å; L385-I447 HydrophobicContact CD1-CD1 3.22Å; L385-I447 HydrophobicContact CD1-CG1 3.96Å; L385-I447 HydrophobicContact CD2-CD1 4.47Å; L385-I447 HydrophobicContact CG-CD1 3.55Å; L385-I447 HydrophobicContact CG-CG1 3.81Å; L385-L448 PolarHBondContact N-O 2.97Å | ||
| 386 | R | 47.9 | Very low | 47.3 | Very low | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | trans | -155.1 | 166.4 | -167.9 | -49.5 | -171.1 | 76.7 | 151.3 | -7 | 119.5 | V384 Y390 S391 L407 I408 F451 | V384-R386 VanDerWaalsContact CG1-CD 3.49Å; V384-R386 HydrophobicContact CG1-CG 3.5Å; V384-R386 VanDerWaalsContact CG1-CG 3.5Å; R386-Y390 VanDerWaalsContact NH2-CB 3.33Å; R386-S391 VanDerWaalsContact CD-CB 3.43Å; R386-S391 WeakPolarHBondContact CD-OG 3.21Å; R386-S391 PolarHBondContact NE-OG 3.06Å; R386-L407 HydrophobicContact CB-CD1 4.1Å; R386-L407 HydrophobicContact CG-CD1 4.31Å; R386-I408 VanDerWaalsContact O-O 3.11Å; R386-F451 HydrophobicContact CG-CB 4.25Å; R386-F451 VanDerWaalsContact CZ-CD1 3.46Å; R386-F451 PolarHBondContact NE-O 3.29Å; R386-F451 VanDerWaalsContact NH2-CD1 3.29Å; R386-F451 PolarHBondContact NH2-O 2.78Å | ||
| 387 | K | 34.4 | Very low | 49.6 | Very low | 68 Ų | 68 | 51.4 Ų | 51.4 | 30% | 0.296 | 24% | 0.24 | S | C | . | . | trans | -145.4 | 15.5 | 167.9 | -158 | 178.4 | 171.4 | 173.4 | 0 | 115.5 | ||||
| 388 | F | 42.3 | Very low | 52 | Low | 50 Ų | 50 | 44 Ų | 44 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -128.9 | 155.8 | -178.4 | -82.8 | -67.3 | 0 | 0 | 0 | 114.2 | Y390 S391 Q416 | F388-Y390 VanDerWaalsContact C-N 3.29Å; F388-Y390 HydrophobicContact CB-CD2 3.87Å; F388-Y390 HydrophobicContact CB-CE2 4.34Å; F388-Y390 PolarHBondContact O-N 2.91Å; F388-S391 PolarHBondContact O-OG 2.68Å; F388-Q416 PolarHBondContact O-OE1 3.07Å |
| 389 | S | 41.3 | Very low | 54.3 | Low | 31 Ų | 31 | 42.6 Ų | 42.6 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.6 | -173 | -38.5 | 0 | 0 | 0 | 0 | 116.3 | S391 E957 | S389-S391 PolarHBondContact O-N 3.17Å; S389-E957 VanDerWaalsContact CB-O 3.26Å; S389-E957 WeakPolarHBondContact CB-O 3.27Å; S389-E957 PolarHBondContact OG-O 3.24Å |
| 390 | Y | 46.6 | Very low | 56.6 | Low | 9 Ų | 9 | 39.9 Ų | 39.9 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -14.8 | 176.1 | -63.7 | -74.8 | 0 | 0 | 0 | 114.8 | R386 F388 A392 Q393 A394 L660 S661 R662 A665 A676 | R386-Y390 VanDerWaalsContact NH2-CB 3.33Å; F388-Y390 VanDerWaalsContact C-N 3.29Å; F388-Y390 HydrophobicContact CB-CD2 3.87Å; F388-Y390 HydrophobicContact CB-CE2 4.34Å; F388-Y390 PolarHBondContact O-N 2.91Å; Y390-A392 VanDerWaalsContact C-N 3.31Å; Y390-A392 PolarHBondContact O-N 3.43Å; Y390-Q393 PolarHBondContact O-N 3.11Å; Y390-A394 PolarHBondContact O-N 3.04Å; Y390-L660 HydrophobicContact CD2-CB 4.3Å; Y390-L660 HydrophobicContact CE2-CB 4.39Å; Y390-L660 HydrophobicContact CG-CD1 4.44Å; Y390-S661 WeakPolarHBondContact CE2-O 3.29Å; Y390-S661 PolarHBondContact OH-O 3.43Å; Y390-R662 PolarHBondContact OH-O 3.45Å; Y390-A665 VanDerWaalsContact CE1-CA 3.44Å; Y390-A665 HydrophobicContact CE1-CB 3.41Å; Y390-A665 VanDerWaalsContact CE1-CB 3.41Å; Y390-A665 WeakPolarHBondContact OH-CA 3.2Å; Y390-A665 WeakPolarHBondContact OH-CB 3.11Å; Y390-A665 PolarHBondContact OH-N 3.01Å; Y390-A676 HydrophobicContact CD1-CB 3.96Å; Y390-A676 HydrophobicContact CG-CB 4.24Å |
| 391 | S | 60.2 | Low | 58.9 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.9 | -26.6 | -166.9 | -38.1 | 0 | 0 | 0 | 0 | 114.7 | R386 F388 S389 A394 L395 Q416 | R386-S391 VanDerWaalsContact CD-CB 3.43Å; R386-S391 WeakPolarHBondContact CD-OG 3.21Å; R386-S391 PolarHBondContact NE-OG 3.06Å; F388-S391 PolarHBondContact O-OG 2.68Å; S389-S391 PolarHBondContact O-N 3.17Å; S391-A394 PolarHBondContact O-N 3.37Å; S391-L395 VanDerWaalsContact O-CB 3.24Å; S391-L395 WeakPolarHBondContact O-CB 3.46Å; S391-L395 WeakPolarHBondContact O-CD1 3.34Å; S391-L395 WeakPolarHBondContact O-CG 3.27Å; S391-L395 PolarHBondContact O-N 3.25Å; S391-Q416 PolarHBondContact OG-NE2 3.07Å; S391-Q416 VanDerWaalsContact OG-NE2 3.1Å; S391-Q416 PolarHBondContact OG-OE1 3.49Å |
| 392 | A | 71.2 | Confident | 60.8 | Low | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y390 A394 L395 K396 F421 D962 | Y390-A392 VanDerWaalsContact C-N 3.31Å; Y390-A392 PolarHBondContact O-N 3.43Å; A392-A394 PolarHBondContact O-N 3.17Å; A392-L395 PolarHBondContact O-N 3.42Å; A392-K396 WeakPolarHBondContact O-CB 3.46Å; A392-K396 VanDerWaalsContact O-CG 3.28Å; A392-K396 WeakPolarHBondContact O-CG 3.48Å; A392-K396 PolarHBondContact O-N 3.38Å; A392-F421 HydrophobicContact CB-CD1 3.9Å; A392-F421 HydrophobicContact CB-CE1 3.63Å; A392-D962 WeakPolarHBondContact CB-OD2 3.33Å |
| 393 | Q | 77.6 | Confident | 62.7 | Low | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 174.7 | -74.8 | -170.8 | -15.7 | 0 | 0 | 112.9 | Y390 K396 S397 A676 T961 | Y390-Q393 PolarHBondContact O-N 3.11Å; Q393-K396 PolarHBondContact O-N 3.37Å; Q393-S397 WeakPolarHBondContact O-CB 3.45Å; Q393-S397 PolarHBondContact O-N 2.82Å; Q393-A676 HydrophobicContact CB-CB 4.34Å; Q393-T961 PolarHBondContact NE2-O 3.2Å |
| 394 | A | 81.2 | Confident | 64.4 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y390 S391 A392 S397 L398 F451 A680 | Y390-A394 PolarHBondContact O-N 3.04Å; S391-A394 PolarHBondContact O-N 3.37Å; A392-A394 PolarHBondContact O-N 3.17Å; A394-S397 WeakPolarHBondContact O-CB 3.24Å; A394-S397 PolarHBondContact O-N 3.11Å; A394-L398 WeakPolarHBondContact O-CB 3.48Å; A394-L398 WeakPolarHBondContact O-CG 3.3Å; A394-L398 PolarHBondContact O-N 3.5Å; A394-F451 HydrophobicContact CB-CD1 3.99Å; A394-F451 HydrophobicContact CB-CE1 3.89Å; A394-A680 HydrophobicContact CB-CB 3.83Å |
| 395 | L | 81.7 | Confident | 66.6 | Low | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.6 | -71.6 | 169.3 | 0 | 0 | 0 | 111.3 | S391 A392 L398 R399 T405 Q416 F421 A422 | S391-L395 VanDerWaalsContact O-CB 3.24Å; S391-L395 WeakPolarHBondContact O-CB 3.46Å; S391-L395 WeakPolarHBondContact O-CD1 3.34Å; S391-L395 WeakPolarHBondContact O-CG 3.27Å; S391-L395 PolarHBondContact O-N 3.25Å; A392-L395 PolarHBondContact O-N 3.42Å; L395-L398 PolarHBondContact O-N 3.2Å; L395-R399 VanDerWaalsContact O-CB 3.29Å; L395-R399 WeakPolarHBondContact O-CB 3.05Å; L395-R399 PolarHBondContact O-N 3.48Å; L395-T405 HydrophobicContact CD2-CG2 3.88Å; L395-Q416 HydrophobicContact CD1-CB 4.08Å; L395-F421 HydrophobicContact CD1-CB 4.1Å; L395-A422 HydrophobicContact CD1-CB 4.06Å; L395-A422 HydrophobicContact CD2-CB 4.08Å |
| 396 | K | 80.5 | Confident | 68.9 | Low | 44 Ų | 44 | 37.9 Ų | 37.9 | 19% | 0.191 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.6 | -50.1 | 170.9 | -74 | 171.8 | 175.4 | 178 | 0 | 111 | A392 Q393 L398 R399 E400 D962 D964 | A392-K396 WeakPolarHBondContact O-CB 3.46Å; A392-K396 VanDerWaalsContact O-CG 3.28Å; A392-K396 WeakPolarHBondContact O-CG 3.48Å; A392-K396 PolarHBondContact O-N 3.38Å; Q393-K396 PolarHBondContact O-N 3.37Å; K396-L398 VanDerWaalsContact C-N 3.34Å; K396-L398 PolarHBondContact O-N 2.88Å; K396-R399 PolarHBondContact O-N 2.87Å; K396-E400 WeakPolarHBondContact O-CG 3.4Å; K396-E400 PolarHBondContact O-N 3.47Å; K396-D962 WeakPolarHBondContact CE-OD1 3.37Å; K396-D962 IonicContact NZ-OD1 3.48Å; K396-D962 PolarHBondContact NZ-OD1 3.11Å; K396-D964 IonicContact NZ-OD1 2.76Å; K396-D964 PolarHBondContact NZ-OD1 3.17Å; K396-D964 IonicContact NZ-OD2 2.65Å; K396-D964 PolarHBondContact NZ-OD2 2.74Å |
| 397 | S | 81.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.4 | -47.8 | 177.2 | 166.2 | 0 | 0 | 0 | 0 | 112.1 | Q393 A394 E400 E401 Y677 K681 | Q393-S397 WeakPolarHBondContact O-CB 3.45Å; Q393-S397 PolarHBondContact O-N 2.82Å; A394-S397 WeakPolarHBondContact O-CB 3.24Å; A394-S397 PolarHBondContact O-N 3.11Å; S397-E400 PolarHBondContact O-N 2.74Å; S397-E401 PolarHBondContact O-N 2.83Å; S397-Y677 PolarHBondContact OG-O 3.49Å; S397-K681 PolarHBondContact O-NZ 2.95Å; S397-K681 WeakPolarHBondContact OG-CD 3.46Å; S397-K681 WeakPolarHBondContact OG-CE 3.44Å; S397-K681 VanDerWaalsContact OG-CG 3.27Å; S397-K681 WeakPolarHBondContact OG-CG 3.44Å |
| 398 | L | 83 | Confident | 73.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.8 | -71.3 | 174.2 | 0 | 0 | 0 | 111.6 | V384 A394 L395 K396 E400 E401 N402 V403 T405 L448 L684 | V384-L398 HydrophobicContact CG2-CD1 3.25Å; A394-L398 WeakPolarHBondContact O-CB 3.48Å; A394-L398 WeakPolarHBondContact O-CG 3.3Å; A394-L398 PolarHBondContact O-N 3.5Å; L395-L398 PolarHBondContact O-N 3.2Å; K396-L398 VanDerWaalsContact C-N 3.34Å; K396-L398 PolarHBondContact O-N 2.88Å; L398-E400 PolarHBondContact O-N 3Å; L398-E401 CarbonylContact O-C 3.47Å; L398-E401 WeakPolarHBondContact O-CA 3.35Å; L398-E401 PolarHBondContact O-N 3.11Å; L398-E401 VanDerWaalsContact O-N 3.09Å; L398-N402 PolarHBondContact O-N 3.28Å; L398-V403 HydrophobicContact CB-CB 4.06Å; L398-V403 HydrophobicContact CB-CG1 4.43Å; L398-V403 HydrophobicContact CD2-CB 4.35Å; L398-V403 HydrophobicContact CD2-CG1 4.31Å; L398-V403 HydrophobicContact CD2-CG2 4.37Å; L398-V403 WeakPolarHBondContact O-CB 3.21Å; L398-V403 PolarHBondContact O-N 2.91Å; L398-T405 HydrophobicContact CB-CG2 4.03Å; L398-T405 HydrophobicContact CD1-CG2 3.95Å; L398-L448 HydrophobicContact CD1-CD1 4.09Å; L398-L448 HydrophobicContact CD2-CD1 4.27Å; L398-L684 HydrophobicContact CD2-CD1 3.8Å; L398-L684 HydrophobicContact CD2-CD2 4.05Å; L398-L684 HydrophobicContact CD2-CG 4.09Å |
| 399 | R | 76.2 | Confident | 75.9 | Confident | 156 Ų | 156 | 32.5 Ų | 32.5 | 59% | 0.589 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -63 | -39.8 | 177.4 | -173.6 | 176.5 | -177 | 175.6 | 1.6 | 112.5 | L395 K396 E401 N402 G420 | L395-R399 VanDerWaalsContact O-CB 3.29Å; L395-R399 WeakPolarHBondContact O-CB 3.05Å; L395-R399 PolarHBondContact O-N 3.48Å; K396-R399 PolarHBondContact O-N 2.87Å; R399-E401 PolarHBondContact O-N 2.83Å; R399-N402 WeakPolarHBondContact O-CA 3.47Å; R399-N402 PolarHBondContact O-N 3.23Å; R399-G420 PolarHBondContact NH1-O 2.62Å |
| 400 | E | 77.9 | Confident | 78.2 | Confident | 108 Ų | 108 | 31.2 Ų | 31.2 | 51% | 0.505 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.6 | -29.7 | 173.8 | -73 | 168.8 | -175.6 | 0 | 0 | 112.7 | K396 S397 L398 N402 Y677 K681 | K396-E400 WeakPolarHBondContact O-CG 3.4Å; K396-E400 PolarHBondContact O-N 3.47Å; S397-E400 PolarHBondContact O-N 2.74Å; L398-E400 PolarHBondContact O-N 3Å; E400-N402 PolarHBondContact O-N 3.32Å; E400-Y677 WeakPolarHBondContact OE2-CE2 3.14Å; E400-Y677 PolarHBondContact OE2-OH 3.38Å; E400-K681 IonicContact OE2-NZ 2.81Å; E400-K681 PolarHBondContact OE2-NZ 2.98Å |
| 401 | E | 77.1 | Confident | 80.4 | Confident | 51 Ų | 51 | 32.1 Ų | 32.1 | 24% | 0.238 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 10.9 | 173 | -58.8 | -50.7 | 137.5 | 0 | 0 | 113.1 | S397 L398 R399 V403 K681 L684 L686 | S397-E401 PolarHBondContact O-N 2.83Å; L398-E401 CarbonylContact O-C 3.47Å; L398-E401 WeakPolarHBondContact O-CA 3.35Å; L398-E401 PolarHBondContact O-N 3.11Å; L398-E401 VanDerWaalsContact O-N 3.09Å; R399-E401 PolarHBondContact O-N 2.83Å; E401-V403 HydrophobicContact CB-CG2 4.13Å; E401-V403 PolarHBondContact O-N 2.76Å; E401-K681 HydrophobicContact CG-CD 3.89Å; E401-K681 IonicContact OE1-NZ 3.33Å; E401-K681 PolarHBondContact OE1-NZ 2.75Å; E401-L684 HydrophobicContact CB-CD1 3.97Å; E401-L684 HydrophobicContact CG-CD1 3.86Å; E401-L686 HydrophobicContact CG-CD1 4.41Å |
| 402 | N | 67.9 | Low | 81.6 | Confident | 151 Ų | 151 | 32.1 Ų | 32.1 | 81% | 0.807 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.2 | -176 | -52.8 | -72.1 | 0 | 0 | 0 | 113.3 | L398 R399 E400 | L398-N402 PolarHBondContact O-N 3.28Å; R399-N402 WeakPolarHBondContact O-CA 3.47Å; R399-N402 PolarHBondContact O-N 3.23Å; E400-N402 PolarHBondContact O-N 3.32Å |
| 403 | V | 73.9 | Confident | 82.4 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | trans | -87.3 | 119.3 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | Y383 L398 E401 T405 L684 | Y383-V403 HydrophobicContact CD2-CG1 3.89Å; Y383-V403 HydrophobicContact CE2-CG1 4.23Å; L398-V403 HydrophobicContact CB-CB 4.06Å; L398-V403 HydrophobicContact CB-CG1 4.43Å; L398-V403 HydrophobicContact CD2-CB 4.35Å; L398-V403 HydrophobicContact CD2-CG1 4.31Å; L398-V403 HydrophobicContact CD2-CG2 4.37Å; L398-V403 WeakPolarHBondContact O-CB 3.21Å; L398-V403 PolarHBondContact O-N 2.91Å; E401-V403 HydrophobicContact CB-CG2 4.13Å; E401-V403 PolarHBondContact O-N 2.76Å; V403-T405 HydrophobicContact CG1-CG2 4.43Å; V403-L684 HydrophobicContact CG2-CD1 4.18Å; V403-L684 HydrophobicContact CG2-CD2 4.48Å | ||
| 404 | R | 72.9 | Confident | 82.7 | Confident | 82 Ų | 82 | 31.9 Ų | 31.9 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | trans | -69 | 144.8 | 168.5 | -171.5 | -179.5 | -161.6 | 173.9 | 11.5 | 109.3 | Y383 D423 | Y383-R404 WeakPolarHBondContact CD1-O 3.34Å; Y383-R404 WeakPolarHBondContact CD2-O 3.4Å; Y383-R404 HydrophobicContact CE1-CB 4.42Å; Y383-R404 WeakPolarHBondContact CE1-O 3.33Å; Y383-R404 HydrophobicContact CE2-CB 4.41Å; Y383-R404 WeakPolarHBondContact CE2-O 3.31Å; Y383-R404 VanDerWaalsContact CG-O 3.24Å; R404-D423 WeakPolarHBondContact CA-OD2 3.39Å; R404-D423 HydrophobicContact CG-CB 3.94Å | ||
| 405 | T | 85 | Confident | 82.8 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | trans | -134.5 | 132.1 | -167.1 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | L395 L398 V403 A422 D423 F424 | L395-T405 HydrophobicContact CD2-CG2 3.88Å; L398-T405 HydrophobicContact CB-CG2 4.03Å; L398-T405 HydrophobicContact CD1-CG2 3.95Å; V403-T405 HydrophobicContact CG1-CG2 4.43Å; T405-A422 WeakPolarHBondContact OG1-CA 3.38Å; T405-D423 PolarHBondContact N-OD2 3.19Å; T405-D423 WeakPolarHBondContact O-CB 3.43Å; T405-D423 PolarHBondContact O-N 3.43Å; T405-D423 PolarHBondContact OG1-N 3.3Å; T405-D423 PolarHBondContact OG1-OD2 3.02Å; T405-F424 PolarHBondContact O-N 3.42Å; T405-F424 VanDerWaalsContact O-N 3.07Å | ||
| 406 | V | 86.3 | Confident | 82.8 | Confident | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.3 | 170 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | Y383 F424 Y426 V438 E442 | Y383-V406 HydrophobicContact CD1-CB 4.2Å; Y383-V406 HydrophobicContact CD1-CG2 3.92Å; Y383-V406 HydrophobicContact CE1-CG2 4Å; V406-F424 CarbonylContact C-O 3.57Å; V406-F424 WeakPolarHBondContact CA-O 3.48Å; V406-F424 HydrophobicContact CG2-CB 4.33Å; V406-F424 HydrophobicContact CG2-CD2 3.99Å; V406-Y426 HydrophobicContact CG1-CD2 3.86Å; V406-Y426 HydrophobicContact CG1-CE2 4Å; V406-V438 HydrophobicContact CG1-CG1 4.13Å; V406-E442 HydrophobicContact CG1-CG 4.24Å; V406-E442 HydrophobicContact CG2-CB 4.21Å; V406-E442 HydrophobicContact CG2-CG 4.1Å |
| 407 | L | 89 | Confident | 83.1 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.8 | 176.6 | 174.6 | 65.5 | 0 | 0 | 0 | 109.9 | R386 N409 Q416 T417 A422 F424 T425 Y426 | R386-L407 HydrophobicContact CB-CD1 4.1Å; R386-L407 HydrophobicContact CG-CD1 4.31Å; L407-N409 HydrophobicContact CD1-CB 4.19Å; L407-N409 HydrophobicContact CD2-CB 4.27Å; L407-N409 HydrophobicContact CG-CB 4.08Å; L407-Q416 HydrophobicContact CD2-CB 4.25Å; L407-Q416 HydrophobicContact CD2-CG 3.91Å; L407-Q416 WeakPolarHBondContact CD2-O 3.05Å; L407-T417 HydrophobicContact CD2-CG2 4.11Å; L407-A422 HydrophobicContact CB-CB 3.79Å; L407-A422 HydrophobicContact CD2-CB 4.47Å; L407-F424 PolarHBondContact N-O 3.17Å; L407-T425 HydrophobicContact CD2-CG2 4.09Å; L407-T425 HydrophobicContact CG-CG2 4.42Å; L407-T425 CarbonylContact O-C 3.54Å; L407-T425 WeakPolarHBondContact O-CA 3.38Å; L407-Y426 PolarHBondContact O-N 3.42Å |
| 408 | I | 91.5 | Very high | 83.2 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.2 | 166.5 | -50 | -178.5 | 0 | 0 | 0 | 108 | L385 R386 L428 V430 V435 V438 | L385-I408 HydrophobicContact CD2-CB 4.11Å; L385-I408 HydrophobicContact CD2-CD1 3.47Å; L385-I408 VanDerWaalsContact CD2-CD1 3.47Å; L385-I408 HydrophobicContact CD2-CG1 3.74Å; R386-I408 VanDerWaalsContact O-O 3.11Å; I408-L428 HydrophobicContact CG2-CB 4.3Å; I408-V430 HydrophobicContact CG2-CG2 4.24Å; I408-V435 HydrophobicContact CD1-CB 4.48Å; I408-V435 HydrophobicContact CD1-CG1 4.42Å; I408-V435 HydrophobicContact CD1-CG2 4.07Å; I408-V438 HydrophobicContact CD1-CB 3.79Å; I408-V438 HydrophobicContact CD1-CG1 3.81Å; I408-V438 HydrophobicContact CD1-CG2 3.85Å; I408-V438 HydrophobicContact CG1-CG1 4.28Å |
| 409 | N | 90.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -153.6 | 110 | 178.2 | -176.4 | 14.3 | 0 | 0 | 0 | 111.3 | L407 N411 T414 Q416 T417 Y426 | L407-N409 HydrophobicContact CD1-CB 4.19Å; L407-N409 HydrophobicContact CD2-CB 4.27Å; L407-N409 HydrophobicContact CG-CB 4.08Å; N409-N411 PolarHBondContact O-N 2.88Å; N409-N411 WeakPolarHBondContact OD1-CB 3.42Å; N409-N411 PolarHBondContact OD1-N 2.86Å; N409-T414 PolarHBondContact ND2-OG1 3.01Å; N409-Q416 PolarHBondContact ND2-NE2 3.14Å; N409-Q416 VanDerWaalsContact ND2-NE2 3.15Å; N409-T417 HydrophobicContact CB-CG2 3.97Å; N409-T417 WeakPolarHBondContact ND2-CG2 3.33Å; N409-Y426 PolarHBondContact N-O 2.93Å | ||
| 410 | P | 91.6 | Very high | 83.1 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | trans | -78.8 | -7.1 | 178.2 | 33.5 | -34.8 | 0 | 0 | 0 | 112.8 | V412 L428 V1271 A1272 A1288 | P410-V412 PolarHBondContact O-N 3.02Å; P410-L428 VanDerWaalsContact CD-O 3.31Å; P410-L428 WeakPolarHBondContact CD-O 3.41Å; P410-L428 WeakPolarHBondContact CG-O 3.32Å; P410-V1271 HydrophobicContact CB-CB 4.18Å; P410-V1271 HydrophobicContact CB-CG1 4.33Å; P410-V1271 HydrophobicContact CG-CG1 4.28Å; P410-V1271 CarbonylContact O-C 3.6Å; P410-V1271 VanDerWaalsContact O-CA 3.25Å; P410-V1271 WeakPolarHBondContact O-CA 3.37Å; P410-A1272 PolarHBondContact O-N 3.38Å; P410-A1288 HydrophobicContact CB-CB 3.81Å; P410-A1288 HydrophobicContact CG-CB 3.91Å | ||
| 411 | N | 90.9 | Very high | 83.2 | Confident | 28 Ų | 28 | 28.1 Ų | 28.1 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | trans | -76.4 | 93.1 | 174.3 | -173.6 | -12.9 | 0 | 0 | 0 | 110.5 | N409 A413 T414 | N409-N411 PolarHBondContact O-N 2.88Å; N409-N411 WeakPolarHBondContact OD1-CB 3.42Å; N409-N411 PolarHBondContact OD1-N 2.86Å; N411-A413 PolarHBondContact O-N 2.87Å; N411-A413 VanDerWaalsContact O-N 3.16Å; N411-A413 PolarHBondContact OD1-N 2.83Å; N411-T414 HydrophobicContact CB-CG2 4Å; N411-T414 PolarHBondContact O-N 3.26Å; N411-T414 PolarHBondContact O-OG1 3.24Å | ||
| 412 | V | 87 | Confident | 83.5 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.4 | -175.1 | 73.3 | 0 | 0 | 0 | 0 | 114.6 | P410 T417 F427 F1208 K1211 A1272 | P410-V412 PolarHBondContact O-N 3.02Å; V412-T417 PolarHBondContact O-OG1 3.26Å; V412-F427 HydrophobicContact CB-CD1 4.44Å; V412-F427 HydrophobicContact CB-CE1 4.22Å; V412-F427 HydrophobicContact CG2-CD1 4.39Å; V412-F427 HydrophobicContact CG2-CE1 3.98Å; V412-F1208 HydrophobicContact CG1-CB 3.99Å; V412-F1208 HydrophobicContact CG1-CD2 4.31Å; V412-F1208 HydrophobicContact CG2-CB 4.37Å; V412-F1208 HydrophobicContact CG2-CD2 4.28Å; V412-K1211 HydrophobicContact CG2-CB 4.18Å; V412-K1211 HydrophobicContact CG2-CD 3.67Å; V412-K1211 HydrophobicContact CG2-CG 4.5Å; V412-K1211 WeakPolarHBondContact O-CE 3.26Å; V412-K1211 PolarHBondContact O-NZ 2.72Å; V412-A1272 HydrophobicContact CB-CB 3.77Å; V412-A1272 HydrophobicContact CG1-CB 3.85Å; V412-A1272 HydrophobicContact CG2-CB 4.11Å |
| 413 | A | 86.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N411 V929 E930 C933 | N411-A413 PolarHBondContact O-N 2.87Å; N411-A413 VanDerWaalsContact O-N 3.16Å; N411-A413 PolarHBondContact OD1-N 2.83Å; A413-V929 HydrophobicContact CB-CB 4.35Å; A413-V929 HydrophobicContact CB-CG2 3.51Å; A413-E930 HydrophobicContact CB-CB 4.28Å; A413-E930 HydrophobicContact CB-CG 3.64Å; A413-C933 WeakPolarHBondContact O-CB 3.36Å |
| 414 | T | 85.5 | Confident | 84.5 | Confident | 7 Ų | 7 | 19.4 Ų | 19.4 | 4% | 0.043 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -82 | 143.2 | -173.9 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | N409 N411 Q416 T417 | N409-T414 PolarHBondContact ND2-OG1 3.01Å; N411-T414 HydrophobicContact CB-CG2 4Å; N411-T414 PolarHBondContact O-N 3.26Å; N411-T414 PolarHBondContact O-OG1 3.24Å; T414-Q416 VanDerWaalsContact C-N 3.29Å; T414-Q416 PolarHBondContact O-N 3.35Å; T414-Q416 WeakPolarHBondContact OG1-CG 3.46Å; T414-T417 PolarHBondContact O-N 2.8Å; T414-T417 PolarHBondContact O-OG1 3.43Å; T414-T417 VanDerWaalsContact OG1-CG2 3.24Å; T414-T417 WeakPolarHBondContact OG1-CG2 3.47Å; T414-T417 PolarHBondContact OG1-OG1 2.94Å |
| 415 | V | 82.1 | Confident | 85.2 | Confident | 24 Ų | 24 | 15.5 Ų | 15.5 | 15% | 0.145 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -55.8 | -41.6 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | T417 M418 F421 C933 V936 | V415-T417 PolarHBondContact O-N 3.36Å; V415-T417 VanDerWaalsContact O-N 3.09Å; V415-M418 HydrophobicContact CB-SD 4.45Å; V415-M418 HydrophobicContact CG1-SD 4.1Å; V415-M418 WeakPolarHBondContact O-CB 3.44Å; V415-M418 WeakPolarHBondContact O-CG 3.46Å; V415-M418 PolarHBondContact O-N 3.01Å; V415-F421 HydrophobicContact CG1-CE1 4.13Å; V415-F421 HydrophobicContact CG1-CE2 3.78Å; V415-F421 HydrophobicContact CG1-CZ 3.49Å; V415-F421 VanDerWaalsContact CG1-CZ 3.49Å; V415-F421 WeakPolarHBondContact O-CD2 3.42Å; V415-C933 HydrophobicContact CG2-CB 4.42Å; V415-V936 HydrophobicContact CG1-CB 4.49Å; V415-V936 HydrophobicContact CG1-CG1 3.96Å; V415-V936 HydrophobicContact CG2-CB 4.25Å; V415-V936 HydrophobicContact CG2-CG2 3.95Å |
| 416 | Q | 81.2 | Confident | 85.6 | Confident | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.009 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -60.9 | -19.2 | 178.2 | 68.1 | -161.9 | 54.6 | 0 | 0 | 115.2 | F388 S391 L395 L407 N409 T414 M418 | F388-Q416 PolarHBondContact O-OE1 3.07Å; S391-Q416 PolarHBondContact OG-NE2 3.07Å; S391-Q416 VanDerWaalsContact OG-NE2 3.1Å; S391-Q416 PolarHBondContact OG-OE1 3.49Å; L395-Q416 HydrophobicContact CD1-CB 4.08Å; L407-Q416 HydrophobicContact CD2-CB 4.25Å; L407-Q416 HydrophobicContact CD2-CG 3.91Å; L407-Q416 WeakPolarHBondContact CD2-O 3.05Å; N409-Q416 PolarHBondContact ND2-NE2 3.14Å; N409-Q416 VanDerWaalsContact ND2-NE2 3.15Å; T414-Q416 VanDerWaalsContact C-N 3.29Å; T414-Q416 PolarHBondContact O-N 3.35Å; T414-Q416 WeakPolarHBondContact OG1-CG 3.46Å; Q416-M418 VanDerWaalsContact C-N 3.32Å |
| 417 | T | 87 | Confident | 85.9 | Confident | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -90.5 | 1 | 175.7 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | L407 N409 V412 T414 V415 T425 F427 K1211 | L407-T417 HydrophobicContact CD2-CG2 4.11Å; N409-T417 HydrophobicContact CB-CG2 3.97Å; N409-T417 WeakPolarHBondContact ND2-CG2 3.33Å; V412-T417 PolarHBondContact O-OG1 3.26Å; T414-T417 PolarHBondContact O-N 2.8Å; T414-T417 PolarHBondContact O-OG1 3.43Å; T414-T417 VanDerWaalsContact OG1-CG2 3.24Å; T414-T417 WeakPolarHBondContact OG1-CG2 3.47Å; T414-T417 PolarHBondContact OG1-OG1 2.94Å; V415-T417 PolarHBondContact O-N 3.36Å; V415-T417 VanDerWaalsContact O-N 3.09Å; T417-T425 HydrophobicContact CG2-CG2 3.89Å; T417-F427 HydrophobicContact CG2-CE1 4.17Å; T417-F427 HydrophobicContact CG2-CZ 4.37Å; T417-K1211 WeakPolarHBondContact O-CE 3.32Å; T417-K1211 VanDerWaalsContact OG1-CE 3.22Å; T417-K1211 WeakPolarHBondContact OG1-CE 3.41Å |
| 418 | M | 84.2 | Confident | 86.2 | Confident | 19 Ų | 19 | 14.7 Ų | 14.7 | 9% | 0.094 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -69.5 | 146.9 | 169 | -63.8 | 174 | 65.3 | 0 | 0 | 109.9 | V415 Q416 G420 F421 C933 V936 | V415-M418 HydrophobicContact CB-SD 4.45Å; V415-M418 HydrophobicContact CG1-SD 4.1Å; V415-M418 WeakPolarHBondContact O-CB 3.44Å; V415-M418 WeakPolarHBondContact O-CG 3.46Å; V415-M418 PolarHBondContact O-N 3.01Å; Q416-M418 VanDerWaalsContact C-N 3.32Å; M418-G420 PolarHBondContact O-N 3.48Å; M418-F421 HydrophobicContact CB-CD2 3.94Å; M418-F421 HydrophobicContact CB-CE2 4.09Å; M418-F421 PolarHBondContact O-N 2.98Å; M418-F421 HydrophobicContact SD-CE2 4.47Å; M418-C933 VanDerWaalsContact SD-SG 3.61Å; M418-V936 HydrophobicContact SD-CG1 4.49Å |
| 419 | K | 80.9 | Confident | 86.3 | Confident | 136 Ų | 136 | 14.6 Ų | 14.6 | 59% | 0.591 | 8% | 0.079 | S | C | * | . | B | Isolated β-bridge | trans | -59.4 | 136 | 177.4 | -164.9 | 178.1 | 178 | 177.6 | 0 | 110 | N1446 S1447 | K419-N1446 VanDerWaalsContact CE-O 3.29Å; K419-N1446 WeakPolarHBondContact CE-O 3.24Å; K419-S1447 VanDerWaalsContact CE-O 3.32Å; K419-S1447 WeakPolarHBondContact CE-O 3.47Å |
| 420 | G | 76.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 15.3 Ų | 15.3 | 33% | 0.33 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -9.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R399 M418 S1447 | R399-G420 PolarHBondContact NH1-O 2.62Å; M418-G420 PolarHBondContact O-N 3.48Å; G420-S1447 PolarHBondContact N-OG 3.49Å |
| 421 | F | 80.1 | Confident | 86.3 | Confident | 18 Ų | 18 | 16.9 Ų | 16.9 | 8% | 0.079 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -59 | 171.6 | -78.8 | -91.6 | 0 | 0 | 0 | 112 | A392 L395 V415 M418 M965 | A392-F421 HydrophobicContact CB-CD1 3.9Å; A392-F421 HydrophobicContact CB-CE1 3.63Å; L395-F421 HydrophobicContact CD1-CB 4.1Å; V415-F421 HydrophobicContact CG1-CE1 4.13Å; V415-F421 HydrophobicContact CG1-CE2 3.78Å; V415-F421 HydrophobicContact CG1-CZ 3.49Å; V415-F421 VanDerWaalsContact CG1-CZ 3.49Å; V415-F421 WeakPolarHBondContact O-CD2 3.42Å; M418-F421 HydrophobicContact CB-CD2 3.94Å; M418-F421 HydrophobicContact CB-CE2 4.09Å; M418-F421 PolarHBondContact O-N 2.98Å; M418-F421 HydrophobicContact SD-CE2 4.47Å; F421-M965 HydrophobicContact CE1-CE 3.55Å; F421-M965 HydrophobicContact CZ-CE 3.41Å; F421-M965 VanDerWaalsContact CZ-CE 3.41Å |
| 422 | A | 82.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 150 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L395 T405 L407 S1447 | L395-A422 HydrophobicContact CD1-CB 4.06Å; L395-A422 HydrophobicContact CD2-CB 4.08Å; T405-A422 WeakPolarHBondContact OG1-CA 3.38Å; L407-A422 HydrophobicContact CB-CB 3.79Å; L407-A422 HydrophobicContact CD2-CB 4.47Å; A422-S1447 WeakPolarHBondContact O-CB 3.11Å; A422-S1447 PolarHBondContact O-OG 2.82Å |
| 423 | D | 77.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 23.1 Ų | 23.1 | 12% | 0.118 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -67.4 | -43.4 | 178.9 | -55.7 | -87.8 | 0 | 0 | 0 | 111 | R404 T405 N1446 S1447 H1448 | R404-D423 WeakPolarHBondContact CA-OD2 3.39Å; R404-D423 HydrophobicContact CG-CB 3.94Å; T405-D423 PolarHBondContact N-OD2 3.19Å; T405-D423 WeakPolarHBondContact O-CB 3.43Å; T405-D423 PolarHBondContact O-N 3.43Å; T405-D423 PolarHBondContact OG1-N 3.3Å; T405-D423 PolarHBondContact OG1-OD2 3.02Å; D423-N1446 PolarHBondContact O-OD1 2.9Å; D423-S1447 PolarHBondContact O-N 2.91Å; D423-H1448 IonicContact OD1-CD2 2.72Å; D423-H1448 IonicContact OD1-CE1 3.22Å; D423-H1448 PolarHBondContact OD1-CE1 3.03Å; D423-H1448 IonicContact OD1-NE2 3.82Å; D423-H1448 PolarHBondContact OD1-NE2 3.44Å |
| 424 | F | 84.7 | Confident | 86.7 | Confident | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.3 | 173.7 | -56.3 | -68.8 | 0 | 0 | 0 | 111.1 | T405 V406 L407 N1446 | T405-F424 PolarHBondContact O-N 3.42Å; T405-F424 VanDerWaalsContact O-N 3.07Å; V406-F424 CarbonylContact C-O 3.57Å; V406-F424 WeakPolarHBondContact CA-O 3.48Å; V406-F424 HydrophobicContact CG2-CB 4.33Å; V406-F424 HydrophobicContact CG2-CD2 3.99Å; L407-F424 PolarHBondContact N-O 3.17Å; F424-N1446 HydrophobicContact CD1-CB 4.24Å; F424-N1446 HydrophobicContact CE1-CB 4.26Å; F424-N1446 WeakPolarHBondContact CE1-OD1 3.5Å |
| 425 | T | 89.4 | Confident | 87 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.2 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | L407 T417 F427 R1444 I1445 | L407-T425 HydrophobicContact CD2-CG2 4.09Å; L407-T425 HydrophobicContact CG-CG2 4.42Å; L407-T425 CarbonylContact O-C 3.54Å; L407-T425 WeakPolarHBondContact O-CA 3.38Å; T417-T425 HydrophobicContact CG2-CG2 3.89Å; T425-F427 HydrophobicContact CG2-CD2 4.37Å; T425-F427 HydrophobicContact CG2-CE1 4.42Å; T425-F427 HydrophobicContact CG2-CE2 3.7Å; T425-F427 HydrophobicContact CG2-CZ 3.73Å; T425-R1444 CarbonylContact O-C 3.56Å; T425-R1444 WeakPolarHBondContact O-CA 3.41Å; T425-I1445 PolarHBondContact N-O 2.88Å; T425-I1445 PolarHBondContact O-N 2.91Å |
| 426 | Y | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.1 | 174.5 | -79.5 | -91.9 | 0 | 0 | 0 | 111.9 | V406 L407 N409 L428 V438 E442 V1438 P1440 D1443 R1444 | V406-Y426 HydrophobicContact CG1-CD2 3.86Å; V406-Y426 HydrophobicContact CG1-CE2 4Å; L407-Y426 PolarHBondContact O-N 3.42Å; N409-Y426 PolarHBondContact N-O 2.93Å; Y426-L428 HydrophobicContact CD1-CD1 3.59Å; Y426-L428 HydrophobicContact CD1-CG 4.35Å; Y426-L428 HydrophobicContact CE1-CD1 4.38Å; Y426-L428 HydrophobicContact CG-CD1 4.3Å; Y426-L428 PolarHBondContact O-N 2.83Å; Y426-V438 HydrophobicContact CD1-CG2 4.1Å; Y426-V438 HydrophobicContact CD2-CG1 4.09Å; Y426-V438 HydrophobicContact CE1-CG2 4.24Å; Y426-V438 HydrophobicContact CE2-CG1 3.98Å; Y426-V438 HydrophobicContact CG-CG2 4.25Å; Y426-E442 HydrophobicContact CE2-CG 3.91Å; Y426-E442 VanDerWaalsContact CE2-OE1 3.23Å; Y426-E442 WeakPolarHBondContact CE2-OE1 3.28Å; Y426-E442 VanDerWaalsContact CZ-OE1 3.26Å; Y426-E442 PolarHBondContact OH-OE1 3.21Å; Y426-V1438 HydrophobicContact CD1-CG1 4.44Å; Y426-V1438 HydrophobicContact CE1-CG1 3.94Å; Y426-P1440 HydrophobicContact CE1-CB 4.43Å; Y426-P1440 WeakPolarHBondContact OH-CB 3.31Å; Y426-D1443 WeakPolarHBondContact CA-O 3.1Å; Y426-D1443 HydrophobicContact CD1-CB 4.2Å; Y426-R1444 HydrophobicContact CD1-CB 3.85Å; Y426-R1444 HydrophobicContact CD2-CB 4.01Å; Y426-R1444 HydrophobicContact CE1-CB 3.83Å; Y426-R1444 HydrophobicContact CE2-CB 3.96Å; Y426-R1444 HydrophobicContact CG-CB 3.97Å |
| 427 | F | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -95 | 69 | 175 | -67.3 | -88.6 | 0 | 0 | 0 | 109.7 | V412 T417 T425 K1211 A1272 C1273 F1274 D1443 I1445 | V412-F427 HydrophobicContact CB-CD1 4.44Å; V412-F427 HydrophobicContact CB-CE1 4.22Å; V412-F427 HydrophobicContact CG2-CD1 4.39Å; V412-F427 HydrophobicContact CG2-CE1 3.98Å; T417-F427 HydrophobicContact CG2-CE1 4.17Å; T417-F427 HydrophobicContact CG2-CZ 4.37Å; T425-F427 HydrophobicContact CG2-CD2 4.37Å; T425-F427 HydrophobicContact CG2-CE1 4.42Å; T425-F427 HydrophobicContact CG2-CE2 3.7Å; T425-F427 HydrophobicContact CG2-CZ 3.73Å; F427-K1211 HydrophobicContact CE1-CD 4.13Å; F427-K1211 HydrophobicContact CZ-CD 3.8Å; F427-A1272 WeakPolarHBondContact CB-O 3.43Å; F427-C1273 WeakPolarHBondContact O-CA 3.34Å; F427-C1273 WeakPolarHBondContact O-CB 2.85Å; F427-C1273 PolarHBondContact O-SG 3.38Å; F427-F1274 HydrophobicContact CB-CD2 3.88Å; F427-F1274 HydrophobicContact CB-CE2 4.1Å; F427-F1274 HydrophobicContact CD2-CD2 4.01Å; F427-F1274 AromaticContact CD2-CE2 3.52Å; F427-F1274 HydrophobicContact CD2-CE2 3.52Å; F427-F1274 HydrophobicContact CE2-CE2 4.13Å; F427-F1274 HydrophobicContact CG-CD2 4.14Å; F427-F1274 AromaticContact CG-CE2 3.84Å; F427-F1274 HydrophobicContact CG-CE2 3.84Å; F427-D1443 PolarHBondContact N-O 3.39Å; F427-I1445 HydrophobicContact CD2-CD1 4.5Å; F427-I1445 HydrophobicContact CD2-CG1 4.46Å; F427-I1445 HydrophobicContact CE2-CB 4.26Å; F427-I1445 HydrophobicContact CE2-CD1 3.56Å; F427-I1445 HydrophobicContact CE2-CG1 3.79Å; F427-I1445 HydrophobicContact CZ-CD1 4.06Å | ||
| 428 | L | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -128.4 | 157.9 | -175.1 | -70.4 | 173.1 | 0 | 0 | 0 | 111.6 | I408 P410 Y426 V430 Y434 V438 K1284 V1438 D1443 | I408-L428 HydrophobicContact CG2-CB 4.3Å; P410-L428 VanDerWaalsContact CD-O 3.31Å; P410-L428 WeakPolarHBondContact CD-O 3.41Å; P410-L428 WeakPolarHBondContact CG-O 3.32Å; Y426-L428 HydrophobicContact CD1-CD1 3.59Å; Y426-L428 HydrophobicContact CD1-CG 4.35Å; Y426-L428 HydrophobicContact CE1-CD1 4.38Å; Y426-L428 HydrophobicContact CG-CD1 4.3Å; Y426-L428 PolarHBondContact O-N 2.83Å; L428-V430 PolarHBondContact O-N 2.87Å; L428-Y434 HydrophobicContact CB-CD1 4.45Å; L428-Y434 HydrophobicContact CD1-CD1 4.31Å; L428-Y434 HydrophobicContact CD2-CD1 3.96Å; L428-Y434 HydrophobicContact CD2-CE1 4.05Å; L428-Y434 HydrophobicContact CG-CD1 4.49Å; L428-V438 HydrophobicContact CD1-CG2 3.85Å; L428-K1284 HydrophobicContact CD2-CD 4.05Å; L428-V1438 HydrophobicContact CD1-CB 4.35Å; L428-V1438 HydrophobicContact CD1-CG1 3.83Å; L428-V1438 HydrophobicContact CD1-CG2 3.6Å; L428-D1443 HydrophobicContact CD1-CB 4.28Å; L428-D1443 HydrophobicContact CD2-CB 4.07Å; L428-D1443 HydrophobicContact CG-CB 4.19Å |
| 429 | P | 93.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | trans | -57.2 | 134.1 | 171.5 | -23.6 | 33.7 | 0 | 0 | 0 | 112.4 | N431 Y434 K1284 I1287 A1288 | P429-N431 VanDerWaalsContact C-N 3.31Å; P429-N431 PolarHBondContact O-N 3.11Å; P429-Y434 HydrophobicContact CB-CD2 3.73Å; P429-Y434 HydrophobicContact CB-CE2 4.16Å; P429-Y434 HydrophobicContact CB-CG 4.43Å; P429-Y434 HydrophobicContact CG-CD2 3.66Å; P429-Y434 HydrophobicContact CG-CE2 3.62Å; P429-Y434 HydrophobicContact CG-CG 4.35Å; P429-Y434 WeakPolarHBondContact O-CB 3.24Å; P429-K1284 VanDerWaalsContact CG-O 3.27Å; P429-K1284 WeakPolarHBondContact CG-O 3.02Å; P429-I1287 HydrophobicContact CB-CB 4.45Å; P429-I1287 HydrophobicContact CB-CG2 3.84Å; P429-I1287 HydrophobicContact CG-CB 3.9Å; P429-I1287 HydrophobicContact CG-CG2 3.76Å; P429-A1288 HydrophobicContact CB-CB 4.16Å; P429-A1288 HydrophobicContact CG-CB 3.97Å | ||
| 430 | V | 91 | Very high | 87.9 | Confident | 16 Ų | 16 | 26.3 Ų | 26.3 | 10% | 0.097 | 13% | 0.133 | C | C | . | . | trans | -82.4 | 79.7 | 172.4 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | I408 L428 T455 A456 C459 | I408-V430 HydrophobicContact CG2-CG2 4.24Å; L428-V430 PolarHBondContact O-N 2.87Å; V430-T455 HydrophobicContact CB-CG2 4.26Å; V430-T455 HydrophobicContact CG1-CG2 4.48Å; V430-A456 HydrophobicContact CG1-CB 4.4Å; V430-C459 HydrophobicContact CG1-CB 4.47Å | ||
| 431 | N | 90.9 | Very high | 87.7 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -142.1 | 162.5 | 174.8 | 72.4 | 42.1 | 0 | 0 | 0 | 111.4 | P429 K433 Y434 V435 I1287 | P429-N431 VanDerWaalsContact C-N 3.31Å; P429-N431 PolarHBondContact O-N 3.11Å; N431-K433 PolarHBondContact O-N 3.29Å; N431-K433 VanDerWaalsContact O-N 3.12Å; N431-K433 PolarHBondContact OD1-N 3.08Å; N431-Y434 PolarHBondContact O-N 2.78Å; N431-Y434 WeakPolarHBondContact OD1-CD2 3.13Å; N431-Y434 PolarHBondContact OD1-N 3.21Å; N431-Y434 VanDerWaalsContact OD1-N 3.13Å; N431-V435 WeakPolarHBondContact O-CG2 3.42Å; N431-V435 PolarHBondContact O-N 3.11Å; N431-I1287 WeakPolarHBondContact ND2-CG2 3.28Å |
| 432 | P | 91.8 | Very high | 87.4 | Confident | 35 Ų | 35 | 29.1 Ų | 29.1 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -36.1 | -171.6 | -29.6 | 36.7 | 0 | 0 | 0 | 113.9 | K436 C459 T462 L463 | P432-K436 WeakPolarHBondContact O-CB 3.47Å; P432-K436 PolarHBondContact O-N 3.2Å; P432-C459 VanDerWaalsContact N-SG 3.38Å; P432-T462 HydrophobicContact CB-CG2 4.3Å; P432-T462 HydrophobicContact CG-CG2 3.73Å; P432-L463 HydrophobicContact CB-CD2 3.83Å; P432-L463 HydrophobicContact CB-CG 4.09Å |
| 433 | K | 90.4 | Very high | 86.8 | Confident | 126 Ų | 126 | 35.5 Ų | 35.5 | 55% | 0.548 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.7 | -40.2 | -177.8 | -64.9 | -177.3 | -178.7 | 175.8 | 0 | 113.1 | N431 Q437 P1435 | N431-K433 PolarHBondContact O-N 3.29Å; N431-K433 VanDerWaalsContact O-N 3.12Å; N431-K433 PolarHBondContact OD1-N 3.08Å; K433-Q437 WeakPolarHBondContact O-CG 3.29Å; K433-Q437 PolarHBondContact O-NE2 2.88Å; K433-P1435 HydrophobicContact CD-CG 3.88Å |
| 434 | Y | 92 | Very high | 86.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.8 | -43.4 | 178.8 | -81.9 | -73.4 | 0 | 0 | 0 | 111.6 | L428 P429 N431 K436 Q437 V438 K1284 I1287 P1435 P1436 V1438 | L428-Y434 HydrophobicContact CB-CD1 4.45Å; L428-Y434 HydrophobicContact CD1-CD1 4.31Å; L428-Y434 HydrophobicContact CD2-CD1 3.96Å; L428-Y434 HydrophobicContact CD2-CE1 4.05Å; L428-Y434 HydrophobicContact CG-CD1 4.49Å; P429-Y434 HydrophobicContact CB-CD2 3.73Å; P429-Y434 HydrophobicContact CB-CE2 4.16Å; P429-Y434 HydrophobicContact CB-CG 4.43Å; P429-Y434 HydrophobicContact CG-CD2 3.66Å; P429-Y434 HydrophobicContact CG-CE2 3.62Å; P429-Y434 HydrophobicContact CG-CG 4.35Å; P429-Y434 WeakPolarHBondContact O-CB 3.24Å; N431-Y434 PolarHBondContact O-N 2.78Å; N431-Y434 WeakPolarHBondContact OD1-CD2 3.13Å; N431-Y434 PolarHBondContact OD1-N 3.21Å; N431-Y434 VanDerWaalsContact OD1-N 3.13Å; Y434-K436 VanDerWaalsContact C-N 3.32Å; Y434-K436 PolarHBondContact O-N 2.97Å; Y434-Q437 WeakPolarHBondContact O-CB 3.42Å; Y434-Q437 PolarHBondContact O-N 3.21Å; Y434-Q437 VanDerWaalsContact O-N 3.09Å; Y434-V438 PolarHBondContact O-N 2.87Å; Y434-K1284 HydrophobicContact CE1-CG 4.44Å; Y434-I1287 HydrophobicContact CE2-CD1 4.28Å; Y434-I1287 HydrophobicContact CE2-CG2 4.3Å; Y434-P1435 HydrophobicContact CE2-CB 4Å; Y434-P1436 VanDerWaalsContact CE1-O 3.26Å; Y434-P1436 WeakPolarHBondContact CE1-O 3.31Å; Y434-P1436 VanDerWaalsContact OH-CD 3.31Å; Y434-P1436 WeakPolarHBondContact OH-CD 3.14Å; Y434-P1436 PolarHBondContact OH-O 3.42Å; Y434-P1436 VanDerWaalsContact OH-O 3.13Å; Y434-V1438 HydrophobicContact CD1-CG2 3.6Å; Y434-V1438 HydrophobicContact CE1-CG2 4.12Å |
| 435 | V | 91.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | L385 I408 N431 Q437 V438 L439 L463 | L385-V435 HydrophobicContact CD1-CG1 3.82Å; L385-V435 HydrophobicContact CD2-CG1 4.3Å; I408-V435 HydrophobicContact CD1-CB 4.48Å; I408-V435 HydrophobicContact CD1-CG1 4.42Å; I408-V435 HydrophobicContact CD1-CG2 4.07Å; N431-V435 WeakPolarHBondContact O-CG2 3.42Å; N431-V435 PolarHBondContact O-N 3.11Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 3.42Å; V435-V438 PolarHBondContact O-N 3.29Å; V435-V438 VanDerWaalsContact O-N 3.13Å; V435-L439 HydrophobicContact CG1-CD1 4.3Å; V435-L439 HydrophobicContact CG1-CG 4.31Å; V435-L439 WeakPolarHBondContact O-CG 3.45Å; V435-L439 PolarHBondContact O-N 3.46Å; V435-L463 HydrophobicContact CB-CD1 3.89Å; V435-L463 HydrophobicContact CG1-CD1 3.49Å; V435-L463 VanDerWaalsContact CG1-CD1 3.49Å |
| 436 | K | 91.2 | Very high | 85.9 | Confident | 69 Ų | 69 | 39.3 Ų | 39.3 | 30% | 0.3 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.4 | -41.2 | 174.1 | -174.6 | 171.7 | -174.3 | 157.9 | 0 | 112.7 | P432 Y434 L439 K440 L463 V468 E471 Y472 | P432-K436 WeakPolarHBondContact O-CB 3.47Å; P432-K436 PolarHBondContact O-N 3.2Å; Y434-K436 VanDerWaalsContact C-N 3.32Å; Y434-K436 PolarHBondContact O-N 2.97Å; K436-L439 PolarHBondContact O-N 3.17Å; K436-K440 WeakPolarHBondContact O-CB 3.47Å; K436-K440 PolarHBondContact O-N 2.92Å; K436-L463 HydrophobicContact CB-CD2 4.29Å; K436-V468 HydrophobicContact CB-CG1 4.24Å; K436-V468 HydrophobicContact CD-CG1 4.17Å; K436-V468 HydrophobicContact CD-CG2 4Å; K436-V468 HydrophobicContact CG-CG1 3.81Å; K436-V468 HydrophobicContact CG-CG2 4.5Å; K436-E471 VanDerWaalsContact CE-OE2 3.31Å; K436-E471 WeakPolarHBondContact CE-OE2 3.43Å; K436-E471 IonicContact NZ-OE1 2.79Å; K436-E471 IonicContact NZ-OE2 3.11Å; K436-E471 PolarHBondContact NZ-OE2 2.89Å; K436-Y472 WeakPolarHBondContact CE-OH 3.46Å; K436-Y472 HydrophobicContact CG-CE2 3.87Å |
| 437 | Q | 88.9 | Confident | 85.7 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 177.9 | -72.9 | 176.7 | 67.6 | 0 | 0 | 112 | K433 Y434 V435 K440 C441 V1438 | K433-Q437 WeakPolarHBondContact O-CG 3.29Å; K433-Q437 PolarHBondContact O-NE2 2.88Å; Y434-Q437 WeakPolarHBondContact O-CB 3.42Å; Y434-Q437 PolarHBondContact O-N 3.21Å; Y434-Q437 VanDerWaalsContact O-N 3.09Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 3.42Å; Q437-K440 WeakPolarHBondContact O-CB 3.37Å; Q437-K440 PolarHBondContact O-N 3.03Å; Q437-C441 PolarHBondContact O-N 2.84Å; Q437-C441 PolarHBondContact O-SG 3.46Å; Q437-V1438 HydrophobicContact CB-CB 4.08Å; Q437-V1438 HydrophobicContact CB-CG2 3.66Å; Q437-V1438 HydrophobicContact CG-CG2 4.44Å |
| 438 | V | 86.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | V406 I408 Y426 L428 Y434 V435 K440 C441 E442 V1438 | V406-V438 HydrophobicContact CG1-CG1 4.13Å; I408-V438 HydrophobicContact CD1-CB 3.79Å; I408-V438 HydrophobicContact CD1-CG1 3.81Å; I408-V438 HydrophobicContact CD1-CG2 3.85Å; I408-V438 HydrophobicContact CG1-CG1 4.28Å; Y426-V438 HydrophobicContact CD1-CG2 4.1Å; Y426-V438 HydrophobicContact CD2-CG1 4.09Å; Y426-V438 HydrophobicContact CE1-CG2 4.24Å; Y426-V438 HydrophobicContact CE2-CG1 3.98Å; Y426-V438 HydrophobicContact CG-CG2 4.25Å; L428-V438 HydrophobicContact CD1-CG2 3.85Å; Y434-V438 PolarHBondContact O-N 2.87Å; V435-V438 PolarHBondContact O-N 3.29Å; V435-V438 VanDerWaalsContact O-N 3.13Å; V438-K440 VanDerWaalsContact C-N 3.3Å; V438-K440 PolarHBondContact O-N 2.89Å; V438-C441 PolarHBondContact O-N 3.49Å; V438-C441 VanDerWaalsContact O-N 3.08Å; V438-E442 HydrophobicContact CG1-CG 3.96Å; V438-E442 PolarHBondContact O-N 2.92Å; V438-V1438 HydrophobicContact CG2-CG1 4.5Å |
| 439 | L | 85 | Confident | 84.9 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 174.9 | -66.9 | 178.4 | 0 | 0 | 0 | 111.9 | V435 K436 C441 R443 P444 V468 F469 Y472 V474 | V435-L439 HydrophobicContact CG1-CD1 4.3Å; V435-L439 HydrophobicContact CG1-CG 4.31Å; V435-L439 WeakPolarHBondContact O-CG 3.45Å; V435-L439 PolarHBondContact O-N 3.46Å; K436-L439 PolarHBondContact O-N 3.17Å; L439-C441 VanDerWaalsContact C-N 3.3Å; L439-C441 PolarHBondContact O-N 3.48Å; L439-R443 WeakPolarHBondContact O-CA 3.33Å; L439-R443 PolarHBondContact O-N 2.94Å; L439-P444 HydrophobicContact CD2-CG 3.5Å; L439-V468 HydrophobicContact CD1-CG1 4.07Å; L439-F469 HydrophobicContact CD1-CD1 4.19Å; L439-F469 HydrophobicContact CD1-CE1 4.13Å; L439-Y472 HydrophobicContact CB-CD2 3.83Å; L439-Y472 HydrophobicContact CB-CE2 4.35Å; L439-V474 HydrophobicContact CD1-CG2 4.45Å; L439-V474 HydrophobicContact CD2-CG2 4.14Å |
| 440 | K | 81.9 | Confident | 84.3 | Confident | 128 Ų | 128 | 39.7 Ų | 39.7 | 56% | 0.557 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62 | -37.3 | 175.6 | -177.9 | -179.3 | 177.1 | -178.8 | 0 | 112.6 | K436 Q437 V438 R443 Y472 | K436-K440 WeakPolarHBondContact O-CB 3.47Å; K436-K440 PolarHBondContact O-N 2.92Å; Q437-K440 WeakPolarHBondContact O-CB 3.37Å; Q437-K440 PolarHBondContact O-N 3.03Å; V438-K440 VanDerWaalsContact C-N 3.3Å; V438-K440 PolarHBondContact O-N 2.89Å; K440-R443 PolarHBondContact O-NE 3.38Å; K440-Y472 HydrophobicContact CB-CE1 4.37Å; K440-Y472 HydrophobicContact CB-CE2 4.32Å; K440-Y472 HydrophobicContact CG-CE1 4.5Å |
| 441 | C | 72.3 | Confident | 83.9 | Confident | 63 Ų | 63 | 39 Ų | 39 | 43% | 0.426 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -79.4 | -49.7 | -178.3 | -71.8 | 0 | 0 | 0 | 0 | 113.1 | Q437 V438 L439 P1440 | Q437-C441 PolarHBondContact O-N 2.84Å; Q437-C441 PolarHBondContact O-SG 3.46Å; V438-C441 PolarHBondContact O-N 3.49Å; V438-C441 VanDerWaalsContact O-N 3.08Å; L439-C441 VanDerWaalsContact C-N 3.3Å; L439-C441 PolarHBondContact O-N 3.48Å; C441-P1440 HydrophobicContact CB-CG 4.13Å |
| 442 | E | 74.1 | Confident | 83.1 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -89.8 | -21.3 | -172.1 | -63.2 | -66 | 166.7 | 0 | 0 | 113.2 | V406 Y426 V438 R1444 | V406-E442 HydrophobicContact CG1-CG 4.24Å; V406-E442 HydrophobicContact CG2-CB 4.21Å; V406-E442 HydrophobicContact CG2-CG 4.1Å; Y426-E442 HydrophobicContact CE2-CG 3.91Å; Y426-E442 VanDerWaalsContact CE2-OE1 3.23Å; Y426-E442 WeakPolarHBondContact CE2-OE1 3.28Å; Y426-E442 VanDerWaalsContact CZ-OE1 3.26Å; Y426-E442 PolarHBondContact OH-OE1 3.21Å; V438-E442 HydrophobicContact CG1-CG 3.96Å; V438-E442 PolarHBondContact O-N 2.92Å; E442-R1444 IonicContact OE1-CZ 3.07Å; E442-R1444 IonicContact OE1-NH1 2.68Å; E442-R1444 PolarHBondContact OE1-NH1 2.84Å; E442-R1444 IonicContact OE2-NH1 3.34Å |
| 443 | R | 70.5 | Confident | 82.4 | Confident | 136 Ų | 136 | 35.8 Ų | 35.8 | 51% | 0.513 | 17% | 0.169 | S | C | . | . | trans | 47.4 | 54.4 | 179.4 | -61 | -65.1 | -177.7 | 148.8 | 2.5 | 114 | L439 K440 | L439-R443 WeakPolarHBondContact O-CA 3.33Å; L439-R443 PolarHBondContact O-N 2.94Å; K440-R443 PolarHBondContact O-NE 3.38Å | ||
| 444 | P | 77.1 | Confident | 81.9 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 7% | 0.071 | 14% | 0.144 | C | C | . | . | trans | -71.2 | 141.1 | 176.9 | 32.6 | -34.4 | 0 | 0 | 0 | 110.2 | L382 Y383 L439 G446 V474 | L382-P444 HydrophobicContact CD2-CB 4.19Å; Y383-P444 HydrophobicContact CD1-CB 4.07Å; Y383-P444 HydrophobicContact CE1-CB 4.48Å; Y383-P444 HydrophobicContact CG-CB 4.3Å; L439-P444 HydrophobicContact CD2-CG 3.5Å; P444-G446 VanDerWaalsContact C-N 3.3Å; P444-G446 PolarHBondContact O-N 3.41Å; P444-V474 WeakPolarHBondContact O-CG2 3.3Å | ||
| 445 | D | 73.3 | Confident | 81.4 | Confident | 99 Ų | 99 | 32.5 Ų | 32.5 | 53% | 0.529 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -71.5 | -14.3 | 171.4 | -31.1 | -100.8 | 0 | 0 | 0 | 114.5 | L382 A475 | L382-D445 HydrophobicContact CB-CB 4.42Å; L382-D445 HydrophobicContact CD1-CB 3.72Å; L382-D445 WeakPolarHBondContact CD1-OD2 3.43Å; L382-D445 HydrophobicContact CD2-CB 3.54Å; L382-D445 WeakPolarHBondContact CD2-OD2 3.29Å; L382-D445 HydrophobicContact CG-CB 4.03Å; D445-A475 WeakPolarHBondContact O-CB 3.33Å; D445-A475 PolarHBondContact O-N 3.2Å |
| 446 | G | 82.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 162.2 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | L382 Y383 P444 A475 | L382-G446 VanDerWaalsContact CD2-N 3.33Å; Y383-G446 WeakPolarHBondContact CB-O 3.27Å; Y383-G446 PolarHBondContact N-O 3.37Å; P444-G446 VanDerWaalsContact C-N 3.3Å; P444-G446 PolarHBondContact O-N 3.41Å; G446-A475 CarbonylContact C-O 3.6Å; G446-A475 WeakPolarHBondContact CA-O 3.4Å |
| 447 | I | 88 | Confident | 80.8 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 131.4 | -170.8 | -155.8 | 166.5 | 0 | 0 | 0 | 113.1 | Y383 L385 L449 F469 V474 A475 I476 L477 | Y383-I447 CarbonylContact O-C 3.41Å; Y383-I447 WeakPolarHBondContact O-CA 3.4Å; L385-I447 HydrophobicContact CD1-CD1 3.22Å; L385-I447 HydrophobicContact CD1-CG1 3.96Å; L385-I447 HydrophobicContact CD2-CD1 4.47Å; L385-I447 HydrophobicContact CG-CD1 3.55Å; L385-I447 HydrophobicContact CG-CG1 3.81Å; I447-L449 HydrophobicContact CD1-CD2 4.33Å; I447-L449 HydrophobicContact CG1-CD2 4.11Å; I447-L449 HydrophobicContact CG2-CD2 4.09Å; I447-L449 HydrophobicContact CG2-CG 4.4Å; I447-F469 HydrophobicContact CD1-CE1 3.77Å; I447-F469 HydrophobicContact CD1-CZ 4.26Å; I447-F469 HydrophobicContact CG2-CE1 4.17Å; I447-F469 HydrophobicContact CG2-CZ 4.35Å; I447-V474 HydrophobicContact CB-CG1 3.8Å; I447-V474 HydrophobicContact CG2-CG1 3.93Å; I447-A475 PolarHBondContact N-O 2.99Å; I447-I476 HydrophobicContact CG2-CG1 4.06Å; I447-L477 PolarHBondContact O-N 3.07Å |
| 448 | L | 86.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.9 | 178.8 | -77.5 | 175 | 0 | 0 | 0 | 109.8 | Y383 V384 L385 L398 F451 L477 A683 | Y383-L448 WeakPolarHBondContact O-CB 3.42Å; Y383-L448 WeakPolarHBondContact O-CG 3.32Å; Y383-L448 PolarHBondContact O-N 3.24Å; V384-L448 HydrophobicContact CB-CB 4.01Å; V384-L448 HydrophobicContact CB-CD1 4.45Å; V384-L448 HydrophobicContact CG1-CB 3.68Å; V384-L448 HydrophobicContact CG1-CD1 4.47Å; V384-L448 HydrophobicContact CG2-CB 3.93Å; V384-L448 HydrophobicContact CG2-CD1 3.47Å; V384-L448 VanDerWaalsContact CG2-CD1 3.47Å; V384-L448 HydrophobicContact CG2-CG 4.16Å; L385-L448 PolarHBondContact N-O 2.97Å; L398-L448 HydrophobicContact CD1-CD1 4.09Å; L398-L448 HydrophobicContact CD2-CD1 4.27Å; L448-F451 HydrophobicContact CB-CD2 3.79Å; L448-F451 HydrophobicContact CB-CE2 4.3Å; L448-F451 HydrophobicContact CD1-CD2 4.27Å; L448-F451 HydrophobicContact CD1-CE2 4.11Å; L448-F451 HydrophobicContact CD2-CD2 4.18Å; L448-F451 HydrophobicContact CD2-CE2 3.87Å; L448-F451 HydrophobicContact CG-CD2 4.31Å; L448-F451 HydrophobicContact CG-CE2 4.34Å; L448-L477 HydrophobicContact CD2-CB 3.42Å; L448-L477 VanDerWaalsContact CD2-CB 3.42Å; L448-L477 HydrophobicContact CG-CB 4Å; L448-L477 HydrophobicContact CG-CD1 4.35Å; L448-A683 HydrophobicContact CD2-CB 3.3Å |
| 449 | L | 84.8 | Confident | 80.7 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -100.4 | -32 | -172.3 | -57.4 | -176.5 | 0 | 0 | 0 | 113.7 | I447 F451 G452 L457 A460 I476 I481 I484 | I447-L449 HydrophobicContact CD1-CD2 4.33Å; I447-L449 HydrophobicContact CG1-CD2 4.11Å; I447-L449 HydrophobicContact CG2-CD2 4.09Å; I447-L449 HydrophobicContact CG2-CG 4.4Å; L449-F451 PolarHBondContact O-N 3.26Å; L449-G452 PolarHBondContact O-N 3.18Å; L449-L457 HydrophobicContact CB-CD2 4.32Å; L449-L457 WeakPolarHBondContact O-CD2 3.47Å; L449-A460 HydrophobicContact CD1-CB 3.7Å; L449-A460 HydrophobicContact CD2-CB 3.46Å; L449-A460 VanDerWaalsContact CD2-CB 3.46Å; L449-A460 HydrophobicContact CG-CB 4.15Å; L449-I476 HydrophobicContact CD1-CG1 4.3Å; L449-I476 HydrophobicContact CD1-CG2 3.83Å; L449-I476 HydrophobicContact CG-CG2 4.26Å; L449-I481 HydrophobicContact CD1-CD1 3.62Å; L449-I484 HydrophobicContact CB-CD1 3.96Å; L449-I484 HydrophobicContact CD1-CD1 4.15Å | ||
| 450 | S | 80.7 | Confident | 80.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 1.9 | -176.7 | 53 | 0 | 0 | 0 | 0 | 114.9 | R659 L660 | S450-R659 WeakPolarHBondContact O-CB 3.25Å; S450-L660 PolarHBondContact O-N 3Å |
| 451 | F | 82.3 | Confident | 81.2 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -11.3 | -170.7 | -80.1 | -74.1 | 0 | 0 | 0 | 111.9 | V384 R386 A394 L448 L449 L660 A676 A679 A680 A683 | V384-F451 HydrophobicContact CG1-CB 3.93Å; V384-F451 HydrophobicContact CG1-CG 4.42Å; R386-F451 HydrophobicContact CG-CB 4.25Å; R386-F451 VanDerWaalsContact CZ-CD1 3.46Å; R386-F451 PolarHBondContact NE-O 3.29Å; R386-F451 VanDerWaalsContact NH2-CD1 3.29Å; R386-F451 PolarHBondContact NH2-O 2.78Å; A394-F451 HydrophobicContact CB-CD1 3.99Å; A394-F451 HydrophobicContact CB-CE1 3.89Å; L448-F451 HydrophobicContact CB-CD2 3.79Å; L448-F451 HydrophobicContact CB-CE2 4.3Å; L448-F451 HydrophobicContact CD1-CD2 4.27Å; L448-F451 HydrophobicContact CD1-CE2 4.11Å; L448-F451 HydrophobicContact CD2-CD2 4.18Å; L448-F451 HydrophobicContact CD2-CE2 3.87Å; L448-F451 HydrophobicContact CG-CD2 4.31Å; L448-F451 HydrophobicContact CG-CE2 4.34Å; L449-F451 PolarHBondContact O-N 3.26Å; F451-L660 HydrophobicContact CD1-CD1 3.43Å; F451-L660 VanDerWaalsContact CD1-CD1 3.43Å; F451-L660 HydrophobicContact CE1-CD1 3.61Å; F451-L660 HydrophobicContact CG-CD1 4.31Å; F451-A676 WeakPolarHBondContact CE1-O 3.47Å; F451-A679 HydrophobicContact CE1-CB 4.22Å; F451-A679 HydrophobicContact CZ-CB 3.85Å; F451-A680 HydrophobicContact CE1-CB 4.04Å; F451-A680 VanDerWaalsContact CZ-CA 3.48Å; F451-A680 HydrophobicContact CZ-CB 3.81Å; F451-A683 HydrophobicContact CE2-CB 4.44Å |
| 452 | G | 73.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -100.1 | 166.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L449 R659 | L449-G452 PolarHBondContact O-N 3.18Å; G452-R659 VanDerWaalsContact O-CD 3.23Å; G452-R659 WeakPolarHBondContact O-CD 3.36Å |
| 453 | G | 78.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | trans | -81.1 | -172.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T455 A456 L457 | G453-T455 PolarHBondContact O-N 3.11Å; G453-T455 VanDerWaalsContact O-N 3.07Å; G453-A456 WeakPolarHBondContact O-CB 3.47Å; G453-A456 PolarHBondContact O-N 3.12Å; G453-L457 PolarHBondContact O-N 3.18Å | ||
| 454 | Q | 79.1 | Confident | 83.9 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 3% | 0.033 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.1 | -35.5 | -179.3 | -158.4 | 66 | 31 | 0 | 0 | 114 | A456 L457 N458 E488 L535 | Q454-A456 VanDerWaalsContact C-N 3.28Å; Q454-A456 PolarHBondContact O-N 2.87Å; Q454-L457 PolarHBondContact O-N 3.04Å; Q454-N458 PolarHBondContact NE2-OD1 3.48Å; Q454-N458 WeakPolarHBondContact O-CB 3.47Å; Q454-N458 VanDerWaalsContact O-CG 3.22Å; Q454-N458 PolarHBondContact O-N 2.97Å; Q454-N458 PolarHBondContact O-OD1 3.42Å; Q454-E488 VanDerWaalsContact NE2-CD 3.29Å; Q454-E488 PolarHBondContact NE2-OE1 3.44Å; Q454-E488 PolarHBondContact NE2-OE2 3.33Å; Q454-E488 PolarHBondContact OE1-OE1 2.82Å; Q454-L535 HydrophobicContact CB-CB 3.91Å; Q454-L535 HydrophobicContact CB-CD1 3.56Å; Q454-L535 HydrophobicContact CB-CG 4.28Å; Q454-L535 HydrophobicContact CG-CB 4.36Å |
| 455 | T | 81.5 | Confident | 84.6 | Confident | 52 Ų | 52 | 23.3 Ų | 23.3 | 32% | 0.319 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.6 | -52.7 | 0 | 0 | 0 | 0 | 112 | V430 G453 C459 | V430-T455 HydrophobicContact CB-CG2 4.26Å; V430-T455 HydrophobicContact CG1-CG2 4.48Å; G453-T455 PolarHBondContact O-N 3.11Å; G453-T455 VanDerWaalsContact O-N 3.07Å; T455-C459 VanDerWaalsContact O-CB 3.25Å; T455-C459 WeakPolarHBondContact O-CB 3.3Å; T455-C459 PolarHBondContact O-N 2.95Å; T455-C459 VanDerWaalsContact O-N 3.15Å |
| 456 | A | 84.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.5 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | V430 G453 Q454 C459 A460 | V430-A456 HydrophobicContact CG1-CB 4.4Å; G453-A456 WeakPolarHBondContact O-CB 3.47Å; G453-A456 PolarHBondContact O-N 3.12Å; Q454-A456 VanDerWaalsContact C-N 3.28Å; Q454-A456 PolarHBondContact O-N 2.87Å; A456-C459 WeakPolarHBondContact O-CB 3.41Å; A456-C459 PolarHBondContact O-N 2.92Å; A456-A460 WeakPolarHBondContact O-CB 3.23Å; A456-A460 PolarHBondContact O-N 3.09Å |
| 457 | L | 84.6 | Confident | 86 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60 | -51.5 | 176.2 | -68.8 | -168.7 | 0 | 0 | 0 | 112.1 | L449 G453 Q454 C459 A460 V461 I484 R659 | L449-L457 HydrophobicContact CB-CD2 4.32Å; L449-L457 WeakPolarHBondContact O-CD2 3.47Å; G453-L457 PolarHBondContact O-N 3.18Å; Q454-L457 PolarHBondContact O-N 3.04Å; L457-C459 PolarHBondContact O-N 2.95Å; L457-A460 PolarHBondContact O-N 3.45Å; L457-V461 WeakPolarHBondContact O-CG2 3.44Å; L457-V461 PolarHBondContact O-N 3.22Å; L457-I484 HydrophobicContact CD1-CG2 4.07Å; L457-I484 HydrophobicContact CD2-CD1 3.92Å; L457-I484 HydrophobicContact CD2-CG2 4.1Å; L457-R659 VanDerWaalsContact CD1-CD 3.43Å; L457-R659 HydrophobicContact CD1-CG 4.03Å; L457-R659 VanDerWaalsContact CD1-NE 3.35Å |
| 458 | N | 84.8 | Confident | 86.2 | Confident | 52 Ų | 52 | 25 Ų | 25 | 28% | 0.278 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 179.6 | -69.1 | 0.4 | 0 | 0 | 0 | 111.3 | Q454 T462 Y533 | Q454-N458 PolarHBondContact NE2-OD1 3.48Å; Q454-N458 WeakPolarHBondContact O-CB 3.47Å; Q454-N458 VanDerWaalsContact O-CG 3.22Å; Q454-N458 PolarHBondContact O-N 2.97Å; Q454-N458 PolarHBondContact O-OD1 3.42Å; N458-T462 PolarHBondContact O-N 3.46Å; N458-T462 PolarHBondContact O-OG1 3.17Å; N458-Y533 PolarHBondContact ND2-O 2.92Å; N458-Y533 VanDerWaalsContact ND2-O 3.14Å |
| 459 | C | 88.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.034 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 173 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | V430 P432 T455 A456 L457 T462 L463 | V430-C459 HydrophobicContact CG1-CB 4.47Å; P432-C459 VanDerWaalsContact N-SG 3.38Å; T455-C459 VanDerWaalsContact O-CB 3.25Å; T455-C459 WeakPolarHBondContact O-CB 3.3Å; T455-C459 PolarHBondContact O-N 2.95Å; T455-C459 VanDerWaalsContact O-N 3.15Å; A456-C459 WeakPolarHBondContact O-CB 3.41Å; A456-C459 PolarHBondContact O-N 2.92Å; L457-C459 PolarHBondContact O-N 2.95Å; C459-T462 PolarHBondContact O-N 3.24Å; C459-L463 VanDerWaalsContact O-CG 3.29Å; C459-L463 WeakPolarHBondContact O-CG 3.38Å; C459-L463 PolarHBondContact O-N 2.92Å |
| 460 | A | 88.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L449 A456 L457 T462 L463 F464 F469 I481 | L449-A460 HydrophobicContact CD1-CB 3.7Å; L449-A460 HydrophobicContact CD2-CB 3.46Å; L449-A460 VanDerWaalsContact CD2-CB 3.46Å; L449-A460 HydrophobicContact CG-CB 4.15Å; A456-A460 WeakPolarHBondContact O-CB 3.23Å; A456-A460 PolarHBondContact O-N 3.09Å; L457-A460 PolarHBondContact O-N 3.45Å; A460-T462 VanDerWaalsContact C-N 3.26Å; A460-T462 PolarHBondContact O-N 3.14Å; A460-L463 PolarHBondContact O-N 2.76Å; A460-F464 WeakPolarHBondContact O-CB 3.48Å; A460-F464 PolarHBondContact O-N 3.41Å; A460-F469 HydrophobicContact CB-CZ 4.35Å; A460-I481 HydrophobicContact CB-CD1 4.19Å |
| 461 | V | 89.3 | Confident | 86.9 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L457 F464 N465 I481 I485 | L457-V461 WeakPolarHBondContact O-CG2 3.44Å; L457-V461 PolarHBondContact O-N 3.22Å; V461-F464 PolarHBondContact O-N 2.99Å; V461-N465 WeakPolarHBondContact O-CB 3.29Å; V461-N465 PolarHBondContact O-N 3.17Å; V461-N465 PolarHBondContact O-ND2 3.38Å; V461-I481 HydrophobicContact CG2-CD1 3.81Å; V461-I481 HydrophobicContact CG2-CG1 4.38Å; V461-I485 HydrophobicContact CG1-CG1 4.42Å; V461-I485 HydrophobicContact CG2-CG1 4.34Å |
| 462 | T | 90.3 | Very high | 86.8 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 37% | 0.368 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | P432 N458 C459 A460 F464 N465 D466 | P432-T462 HydrophobicContact CB-CG2 4.3Å; P432-T462 HydrophobicContact CG-CG2 3.73Å; N458-T462 PolarHBondContact O-N 3.46Å; N458-T462 PolarHBondContact O-OG1 3.17Å; C459-T462 PolarHBondContact O-N 3.24Å; A460-T462 VanDerWaalsContact C-N 3.26Å; A460-T462 PolarHBondContact O-N 3.14Å; T462-F464 VanDerWaalsContact C-N 3.32Å; T462-F464 PolarHBondContact O-N 3Å; T462-N465 PolarHBondContact O-N 3.04Å; T462-D466 WeakPolarHBondContact O-CB 3.4Å; T462-D466 VanDerWaalsContact O-CG 3.29Å; T462-D466 PolarHBondContact O-N 3.42Å |
| 463 | L | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 177.6 | -72.3 | 167.7 | 0 | 0 | 0 | 112.7 | P432 V435 K436 C459 A460 D466 G467 V468 F469 | P432-L463 HydrophobicContact CB-CD2 3.83Å; P432-L463 HydrophobicContact CB-CG 4.09Å; V435-L463 HydrophobicContact CB-CD1 3.89Å; V435-L463 HydrophobicContact CG1-CD1 3.49Å; V435-L463 VanDerWaalsContact CG1-CD1 3.49Å; K436-L463 HydrophobicContact CB-CD2 4.29Å; C459-L463 VanDerWaalsContact O-CG 3.29Å; C459-L463 WeakPolarHBondContact O-CG 3.38Å; C459-L463 PolarHBondContact O-N 2.92Å; A460-L463 PolarHBondContact O-N 2.76Å; L463-D466 PolarHBondContact O-N 3.47Å; L463-G467 PolarHBondContact O-N 3.46Å; L463-V468 HydrophobicContact CB-CB 4.3Å; L463-V468 HydrophobicContact CD2-CB 3.97Å; L463-V468 HydrophobicContact CD2-CG1 3.95Å; L463-V468 HydrophobicContact CD2-CG2 3.9Å; L463-V468 WeakPolarHBondContact O-CB 3.31Å; L463-V468 PolarHBondContact O-N 3.29Å; L463-F469 HydrophobicContact CB-CE1 4.21Å; L463-F469 HydrophobicContact CB-CE2 4.12Å; L463-F469 HydrophobicContact CB-CZ 3.82Å; L463-F469 HydrophobicContact CD1-CE1 4.29Å; L463-F469 HydrophobicContact CD1-CZ 4.21Å |
| 464 | F | 90.9 | Very high | 87.4 | Confident | 69 Ų | 69 | 40.7 Ų | 40.7 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -49.8 | 174.6 | 177.9 | -104.6 | 0 | 0 | 0 | 111.4 | A460 V461 T462 D466 G467 F469 I476 I481 | A460-F464 WeakPolarHBondContact O-CB 3.48Å; A460-F464 PolarHBondContact O-N 3.41Å; V461-F464 PolarHBondContact O-N 2.99Å; T462-F464 VanDerWaalsContact C-N 3.32Å; T462-F464 PolarHBondContact O-N 3Å; F464-D466 PolarHBondContact O-N 3.38Å; F464-G467 PolarHBondContact O-N 3.38Å; F464-F469 HydrophobicContact CB-CD2 3.99Å; F464-F469 HydrophobicContact CB-CE2 3.98Å; F464-F469 HydrophobicContact CD2-CD2 4.25Å; F464-I476 HydrophobicContact CD2-CD1 4.24Å; F464-I481 HydrophobicContact CB-CG1 4.08Å; F464-I481 HydrophobicContact CD1-CG1 4.17Å; F464-I481 HydrophobicContact CD1-CG2 3.82Å; F464-I481 HydrophobicContact CD2-CG2 3.67Å; F464-I481 HydrophobicContact CE1-CG2 3.78Å; F464-I481 HydrophobicContact CE2-CG2 3.63Å; F464-I481 HydrophobicContact CG-CB 4.44Å; F464-I481 HydrophobicContact CG-CG1 4.06Å; F464-I481 HydrophobicContact CG-CG2 3.75Å; F464-I481 HydrophobicContact CZ-CG2 3.69Å |
| 465 | N | 91.9 | Very high | 87.5 | Confident | 112 Ų | 112 | 42.8 Ų | 42.8 | 60% | 0.599 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.7 | -30.4 | 177.7 | -69.3 | -22.7 | 0 | 0 | 0 | 112.8 | V461 T462 G467 | V461-N465 WeakPolarHBondContact O-CB 3.29Å; V461-N465 PolarHBondContact O-N 3.17Å; V461-N465 PolarHBondContact O-ND2 3.38Å; T462-N465 PolarHBondContact O-N 3.04Å; N465-G467 VanDerWaalsContact C-N 3.26Å; N465-G467 PolarHBondContact O-N 3.16Å |
| 466 | D | 93.3 | Very high | 87.8 | Confident | 110 Ų | 110 | 41.3 Ų | 41.3 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 0.9 | 175.4 | -71.6 | -11.2 | 0 | 0 | 0 | 113 | T462 L463 F464 V468 | T462-D466 WeakPolarHBondContact O-CB 3.4Å; T462-D466 VanDerWaalsContact O-CG 3.29Å; T462-D466 PolarHBondContact O-N 3.42Å; L463-D466 PolarHBondContact O-N 3.47Å; F464-D466 PolarHBondContact O-N 3.38Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 HydrophobicContact CB-CG2 3.91Å; D466-V468 PolarHBondContact O-N 2.62Å |
| 467 | G | 92.7 | Very high | 87.8 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 19.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L463 F464 N465 E471 | L463-G467 PolarHBondContact O-N 3.46Å; F464-G467 PolarHBondContact O-N 3.38Å; N465-G467 VanDerWaalsContact C-N 3.26Å; N465-G467 PolarHBondContact O-N 3.16Å; G467-E471 WeakPolarHBondContact O-CB 3.43Å; G467-E471 PolarHBondContact O-N 3.35Å |
| 468 | V | 90.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -33.6 | -171.1 | 178.4 | 0 | 0 | 0 | 0 | 112.7 | K436 L439 L463 D466 E471 Y472 | K436-V468 HydrophobicContact CB-CG1 4.24Å; K436-V468 HydrophobicContact CD-CG1 4.17Å; K436-V468 HydrophobicContact CD-CG2 4Å; K436-V468 HydrophobicContact CG-CG1 3.81Å; K436-V468 HydrophobicContact CG-CG2 4.5Å; L439-V468 HydrophobicContact CD1-CG1 4.07Å; L463-V468 HydrophobicContact CB-CB 4.3Å; L463-V468 HydrophobicContact CD2-CB 3.97Å; L463-V468 HydrophobicContact CD2-CG1 3.95Å; L463-V468 HydrophobicContact CD2-CG2 3.9Å; L463-V468 WeakPolarHBondContact O-CB 3.31Å; L463-V468 PolarHBondContact O-N 3.29Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 HydrophobicContact CB-CG2 3.91Å; D466-V468 PolarHBondContact O-N 2.62Å; V468-E471 PolarHBondContact O-N 3.06Å; V468-Y472 HydrophobicContact CG1-CD2 3.87Å; V468-Y472 HydrophobicContact CG1-CE2 3.89Å; V468-Y472 PolarHBondContact O-N 3.08Å |
| 469 | F | 89.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | 177.8 | -63.3 | -43.5 | 0 | 0 | 0 | 111.1 | L439 I447 A460 L463 F464 Y472 G473 V474 I476 | L439-F469 HydrophobicContact CD1-CD1 4.19Å; L439-F469 HydrophobicContact CD1-CE1 4.13Å; I447-F469 HydrophobicContact CD1-CE1 3.77Å; I447-F469 HydrophobicContact CD1-CZ 4.26Å; I447-F469 HydrophobicContact CG2-CE1 4.17Å; I447-F469 HydrophobicContact CG2-CZ 4.35Å; A460-F469 HydrophobicContact CB-CZ 4.35Å; L463-F469 HydrophobicContact CB-CE1 4.21Å; L463-F469 HydrophobicContact CB-CE2 4.12Å; L463-F469 HydrophobicContact CB-CZ 3.82Å; L463-F469 HydrophobicContact CD1-CE1 4.29Å; L463-F469 HydrophobicContact CD1-CZ 4.21Å; F464-F469 HydrophobicContact CB-CD2 3.99Å; F464-F469 HydrophobicContact CB-CE2 3.98Å; F464-F469 HydrophobicContact CD2-CD2 4.25Å; F469-Y472 CarbonylContact O-C 3.44Å; F469-Y472 PolarHBondContact O-N 3.43Å; F469-G473 PolarHBondContact O-N 3.36Å; F469-V474 HydrophobicContact CB-CB 4.31Å; F469-V474 HydrophobicContact CD1-CB 4.03Å; F469-V474 HydrophobicContact CD1-CG1 4.18Å; F469-V474 PolarHBondContact O-N 3.23Å; F469-I476 HydrophobicContact CD2-CD1 4.09Å; F469-I476 HydrophobicContact CD2-CG1 4.31Å; F469-I476 HydrophobicContact CE2-CD1 4.34Å; F469-I476 HydrophobicContact CE2-CG1 4.44Å |
| 470 | D | 87.9 | Confident | 88.1 | Confident | 135 Ų | 135 | 43.5 Ų | 43.5 | 72% | 0.722 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 174.5 | -62.8 | -24.5 | 0 | 0 | 0 | 111.9 | Y472 G473 | D470-Y472 PolarHBondContact O-N 2.93Å; D470-Y472 VanDerWaalsContact O-N 3.16Å; D470-G473 PolarHBondContact O-N 3.48Å |
| 471 | E | 88.9 | Confident | 88 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 47% | 0.467 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.1 | -33.3 | 176.4 | -173.7 | -171.2 | 151.2 | 0 | 0 | 112.3 | K436 G467 V468 | K436-E471 VanDerWaalsContact CE-OE2 3.31Å; K436-E471 WeakPolarHBondContact CE-OE2 3.43Å; K436-E471 IonicContact NZ-OE1 2.79Å; K436-E471 IonicContact NZ-OE2 3.11Å; K436-E471 PolarHBondContact NZ-OE2 2.89Å; G467-E471 WeakPolarHBondContact O-CB 3.43Å; G467-E471 PolarHBondContact O-N 3.35Å; V468-E471 PolarHBondContact O-N 3.06Å |
| 472 | Y | 81.6 | Confident | 88 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 13% | 0.125 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -114.1 | 3.9 | -176.4 | -61.2 | -43.4 | 0 | 0 | 0 | 115 | K436 L439 K440 V468 F469 D470 | K436-Y472 WeakPolarHBondContact CE-OH 3.46Å; K436-Y472 HydrophobicContact CG-CE2 3.87Å; L439-Y472 HydrophobicContact CB-CD2 3.83Å; L439-Y472 HydrophobicContact CB-CE2 4.35Å; K440-Y472 HydrophobicContact CB-CE1 4.37Å; K440-Y472 HydrophobicContact CB-CE2 4.32Å; K440-Y472 HydrophobicContact CG-CE1 4.5Å; V468-Y472 HydrophobicContact CG1-CD2 3.87Å; V468-Y472 HydrophobicContact CG1-CE2 3.89Å; V468-Y472 PolarHBondContact O-N 3.08Å; F469-Y472 CarbonylContact O-C 3.44Å; F469-Y472 PolarHBondContact O-N 3.43Å; D470-Y472 PolarHBondContact O-N 2.93Å; D470-Y472 VanDerWaalsContact O-N 3.16Å |
| 473 | G | 80.5 | Confident | 88 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 59% | 0.588 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 36.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F469 D470 | F469-G473 PolarHBondContact O-N 3.36Å; D470-G473 PolarHBondContact O-N 3.48Å |
| 474 | V | 82.8 | Confident | 87.7 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | trans | -96.2 | 113.2 | -176.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | L439 P444 I447 F469 | L439-V474 HydrophobicContact CD1-CG2 4.45Å; L439-V474 HydrophobicContact CD2-CG2 4.14Å; P444-V474 WeakPolarHBondContact O-CG2 3.3Å; I447-V474 HydrophobicContact CB-CG1 3.8Å; I447-V474 HydrophobicContact CG2-CG1 3.93Å; F469-V474 HydrophobicContact CB-CB 4.31Å; F469-V474 HydrophobicContact CD1-CB 4.03Å; F469-V474 HydrophobicContact CD1-CG1 4.18Å; F469-V474 PolarHBondContact O-N 3.23Å | ||
| 475 | A | 81.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D445 G446 I447 | D445-A475 WeakPolarHBondContact O-CB 3.33Å; D445-A475 PolarHBondContact O-N 3.2Å; G446-A475 CarbonylContact C-O 3.6Å; G446-A475 WeakPolarHBondContact CA-O 3.4Å; I447-A475 PolarHBondContact N-O 2.99Å |
| 476 | I | 86.9 | Confident | 87.5 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.108 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.1 | 171.6 | -64.1 | 153.3 | 0 | 0 | 0 | 108.7 | I447 L449 F464 F469 Q480 I481 | I447-I476 HydrophobicContact CG2-CG1 4.06Å; L449-I476 HydrophobicContact CD1-CG1 4.3Å; L449-I476 HydrophobicContact CD1-CG2 3.83Å; L449-I476 HydrophobicContact CG-CG2 4.26Å; F464-I476 HydrophobicContact CD2-CD1 4.24Å; F469-I476 HydrophobicContact CD2-CD1 4.09Å; F469-I476 HydrophobicContact CD2-CG1 4.31Å; F469-I476 HydrophobicContact CE2-CD1 4.34Å; F469-I476 HydrophobicContact CE2-CG1 4.44Å; I476-Q480 PolarHBondContact O-NE2 3.4Å; I476-I481 HydrophobicContact CD1-CB 3.72Å; I476-I481 HydrophobicContact CD1-CG2 3.7Å |
| 477 | L | 84.5 | Confident | 87.3 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 148 | -173.6 | -60.1 | 175 | 0 | 0 | 0 | 111.8 | L382 I447 L448 T479 | L382-L477 VanDerWaalsContact CA-CD1 3.46Å; L382-L477 HydrophobicContact CB-CD1 3.99Å; L382-L477 VanDerWaalsContact N-CD1 3.29Å; L382-L477 WeakPolarHBondContact O-CD1 3.25Å; I447-L477 PolarHBondContact O-N 3.07Å; L448-L477 HydrophobicContact CD2-CB 3.42Å; L448-L477 VanDerWaalsContact CD2-CB 3.42Å; L448-L477 HydrophobicContact CG-CB 4Å; L448-L477 HydrophobicContact CG-CD1 4.35Å; L477-T479 PolarHBondContact O-N 3.49Å |
| 478 | G | 86.6 | Confident | 86.8 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 64.4 | -127.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q480 V635 A683 | G478-Q480 PolarHBondContact O-N 3.34Å; G478-Q480 PolarHBondContact O-NE2 2.85Å; G478-Q480 VanDerWaalsContact O-NE2 3.15Å; G478-V635 CarbonylContact C-O 3.55Å; G478-A683 PolarHBondContact N-O 3.44Å |
| 479 | T | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -63.8 | 119.4 | -177.9 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | L477 I484 I634 V635 A658 | L477-T479 PolarHBondContact O-N 3.49Å; T479-I484 HydrophobicContact CG2-CG1 3.97Å; T479-I634 HydrophobicContact CG2-CG1 4.45Å; T479-I634 WeakPolarHBondContact OG1-CG2 3.36Å; T479-V635 PolarHBondContact N-O 3.1Å; T479-V635 PolarHBondContact OG1-N 3.38Å; T479-V635 VanDerWaalsContact OG1-N 3.14Å; T479-V635 PolarHBondContact OG1-O 2.89Å; T479-A658 HydrophobicContact CG2-CB 4.18Å |
| 480 | Q | 88.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 35.8 Ų | 35.8 | 39% | 0.393 | 20% | 0.197 | S | C | . | . | trans | -67 | 151.6 | -178.7 | -63.3 | -57.1 | -53.6 | 0 | 0 | 111.5 | I476 G478 Q482 S483 I484 | I476-Q480 PolarHBondContact O-NE2 3.4Å; G478-Q480 PolarHBondContact O-N 3.34Å; G478-Q480 PolarHBondContact O-NE2 2.85Å; G478-Q480 VanDerWaalsContact O-NE2 3.15Å; Q480-Q482 PolarHBondContact O-N 2.98Å; Q480-Q482 VanDerWaalsContact O-N 3.12Å; Q480-S483 WeakPolarHBondContact O-CB 3.17Å; Q480-S483 PolarHBondContact O-N 3.11Å; Q480-S483 VanDerWaalsContact O-N 3.08Å; Q480-I484 PolarHBondContact O-N 3.32Å | ||
| 481 | I | 88.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -29.8 | 179.9 | -164.9 | 75.6 | 0 | 0 | 0 | 112.1 | L449 A460 V461 F464 I476 I484 I485 | L449-I481 HydrophobicContact CD1-CD1 3.62Å; A460-I481 HydrophobicContact CB-CD1 4.19Å; V461-I481 HydrophobicContact CG2-CD1 3.81Å; V461-I481 HydrophobicContact CG2-CG1 4.38Å; F464-I481 HydrophobicContact CB-CG1 4.08Å; F464-I481 HydrophobicContact CD1-CG1 4.17Å; F464-I481 HydrophobicContact CD1-CG2 3.82Å; F464-I481 HydrophobicContact CD2-CG2 3.67Å; F464-I481 HydrophobicContact CE1-CG2 3.78Å; F464-I481 HydrophobicContact CE2-CG2 3.63Å; F464-I481 HydrophobicContact CG-CB 4.44Å; F464-I481 HydrophobicContact CG-CG1 4.06Å; F464-I481 HydrophobicContact CG-CG2 3.75Å; F464-I481 HydrophobicContact CZ-CG2 3.69Å; I476-I481 HydrophobicContact CD1-CB 3.72Å; I476-I481 HydrophobicContact CD1-CG2 3.7Å; I481-I484 HydrophobicContact CD1-CD1 4.42Å; I481-I484 WeakPolarHBondContact O-CB 3.07Å; I481-I484 PolarHBondContact O-N 2.96Å; I481-I485 HydrophobicContact CG1-CD1 4.26Å; I481-I485 VanDerWaalsContact O-CG1 3.32Å; I481-I485 WeakPolarHBondContact O-CG1 3.48Å; I481-I485 PolarHBondContact O-N 3.42Å |
| 482 | Q | 88.5 | Confident | 85.1 | Confident | 78 Ų | 78 | 30.7 Ų | 30.7 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.4 | -169.6 | 57.8 | 66.1 | 0 | 0 | 111.9 | Q480 I484 I485 W486 | Q480-Q482 PolarHBondContact O-N 2.98Å; Q480-Q482 VanDerWaalsContact O-N 3.12Å; Q482-I484 VanDerWaalsContact C-N 3.31Å; Q482-I484 PolarHBondContact O-N 2.84Å; Q482-I485 PolarHBondContact O-N 3.32Å; Q482-W486 HydrophobicContact CG-CD2 4.19Å; Q482-W486 HydrophobicContact CG-CH2 4Å; Q482-W486 HydrophobicContact CG-CZ2 3.42Å; Q482-W486 VanDerWaalsContact CG-CZ2 3.42Å; Q482-W486 VanDerWaalsContact O-CG 3.25Å; Q482-W486 PolarHBondContact O-N 3.02Å |
| 483 | S | 89.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 173 | -51 | 0 | 0 | 0 | 0 | 112.3 | Q480 W486 T487 L632 | Q480-S483 WeakPolarHBondContact O-CB 3.17Å; Q480-S483 PolarHBondContact O-N 3.11Å; Q480-S483 VanDerWaalsContact O-N 3.08Å; S483-W486 PolarHBondContact O-N 3.02Å; S483-T487 WeakPolarHBondContact O-CB 3.39Å; S483-T487 VanDerWaalsContact O-CG2 3.31Å; S483-T487 WeakPolarHBondContact O-CG2 3.49Å; S483-T487 PolarHBondContact O-N 3.12Å; S483-T487 VanDerWaalsContact O-N 3.1Å; S483-T487 PolarHBondContact O-OG1 3.03Å; S483-L632 WeakPolarHBondContact CB-O 3.34Å; S483-L632 PolarHBondContact OG-O 3.4Å |
| 484 | I | 86.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 174.2 | -59.9 | 173.7 | 0 | 0 | 0 | 110.1 | L449 L457 T479 Q480 I481 Q482 T487 E488 | L449-I484 HydrophobicContact CB-CD1 3.96Å; L449-I484 HydrophobicContact CD1-CD1 4.15Å; L457-I484 HydrophobicContact CD1-CG2 4.07Å; L457-I484 HydrophobicContact CD2-CD1 3.92Å; L457-I484 HydrophobicContact CD2-CG2 4.1Å; T479-I484 HydrophobicContact CG2-CG1 3.97Å; Q480-I484 PolarHBondContact O-N 3.32Å; I481-I484 HydrophobicContact CD1-CD1 4.42Å; I481-I484 WeakPolarHBondContact O-CB 3.07Å; I481-I484 PolarHBondContact O-N 2.96Å; Q482-I484 VanDerWaalsContact C-N 3.31Å; Q482-I484 PolarHBondContact O-N 2.84Å; I484-T487 WeakPolarHBondContact CA-OG1 3.49Å; I484-T487 PolarHBondContact O-N 2.88Å; I484-T487 PolarHBondContact O-OG1 3.5Å; I484-E488 HydrophobicContact CG2-CG 4.16Å; I484-E488 VanDerWaalsContact O-CB 3.29Å; I484-E488 WeakPolarHBondContact O-CB 3.23Å; I484-E488 VanDerWaalsContact O-CG 3.25Å; I484-E488 WeakPolarHBondContact O-CG 3.47Å; I484-E488 PolarHBondContact O-N 3.19Å |
| 485 | I | 88.3 | Confident | 85.8 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.2 | -68 | 164.2 | 0 | 0 | 0 | 111.1 | V461 I481 Q482 T487 E488 D489 L492 | V461-I485 HydrophobicContact CG1-CG1 4.42Å; V461-I485 HydrophobicContact CG2-CG1 4.34Å; I481-I485 HydrophobicContact CG1-CD1 4.26Å; I481-I485 VanDerWaalsContact O-CG1 3.32Å; I481-I485 WeakPolarHBondContact O-CG1 3.48Å; I481-I485 PolarHBondContact O-N 3.42Å; Q482-I485 PolarHBondContact O-N 3.32Å; I485-T487 PolarHBondContact O-N 2.73Å; I485-E488 PolarHBondContact O-N 2.99Å; I485-D489 VanDerWaalsContact O-CB 3.23Å; I485-D489 WeakPolarHBondContact O-CB 3.25Å; I485-D489 PolarHBondContact O-N 2.91Å; I485-L492 HydrophobicContact CG2-CD1 3.87Å |
| 486 | W | 90.3 | Very high | 86.4 | Confident | 46 Ų | 46 | 31.5 Ų | 31.5 | 17% | 0.174 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -31.1 | 177.4 | -66.8 | -26.8 | 0 | 0 | 0 | 113.4 | Q482 S483 F493 K496 L632 | Q482-W486 HydrophobicContact CG-CD2 4.19Å; Q482-W486 HydrophobicContact CG-CH2 4Å; Q482-W486 HydrophobicContact CG-CZ2 3.42Å; Q482-W486 VanDerWaalsContact CG-CZ2 3.42Å; Q482-W486 VanDerWaalsContact O-CG 3.25Å; Q482-W486 PolarHBondContact O-N 3.02Å; S483-W486 PolarHBondContact O-N 3.02Å; W486-F493 WeakPolarHBondContact O-CA 3.39Å; W486-F493 VanDerWaalsContact O-CB 3.27Å; W486-F493 WeakPolarHBondContact O-CB 3.46Å; W486-F493 PolarHBondContact O-N 3.46Å; W486-F493 VanDerWaalsContact O-N 3.15Å; W486-K496 HydrophobicContact CB-CG 4.32Å; W486-K496 HydrophobicContact CD2-CD 4.36Å; W486-K496 HydrophobicContact CG-CG 4.23Å; W486-L632 HydrophobicContact CB-CD2 4.12Å; W486-L632 HydrophobicContact CE3-CD2 4.35Å |
| 487 | T | 87.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -89.4 | -32.7 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | S483 I484 I485 L632 V656 A658 | S483-T487 WeakPolarHBondContact O-CB 3.39Å; S483-T487 VanDerWaalsContact O-CG2 3.31Å; S483-T487 WeakPolarHBondContact O-CG2 3.49Å; S483-T487 PolarHBondContact O-N 3.12Å; S483-T487 VanDerWaalsContact O-N 3.1Å; S483-T487 PolarHBondContact O-OG1 3.03Å; I484-T487 WeakPolarHBondContact CA-OG1 3.49Å; I484-T487 PolarHBondContact O-N 2.88Å; I484-T487 PolarHBondContact O-OG1 3.5Å; I485-T487 PolarHBondContact O-N 2.73Å; T487-L632 HydrophobicContact CG2-CD1 3.7Å; T487-L632 HydrophobicContact CG2-CD2 4.29Å; T487-L632 HydrophobicContact CG2-CG 4.48Å; T487-V656 WeakPolarHBondContact CB-O 3.31Å; T487-V656 HydrophobicContact CG2-CB 4.1Å; T487-V656 HydrophobicContact CG2-CG1 3.97Å; T487-A658 HydrophobicContact CG2-CB 3.96Å |
| 488 | E | 82.2 | Confident | 87 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -85.5 | -36.9 | 179.6 | -68.7 | -78.4 | 170.4 | 0 | 0 | 113.2 | Q454 I484 I485 R490 Y533 | Q454-E488 VanDerWaalsContact NE2-CD 3.29Å; Q454-E488 PolarHBondContact NE2-OE1 3.44Å; Q454-E488 PolarHBondContact NE2-OE2 3.33Å; Q454-E488 PolarHBondContact OE1-OE1 2.82Å; I484-E488 HydrophobicContact CG2-CG 4.16Å; I484-E488 VanDerWaalsContact O-CB 3.29Å; I484-E488 WeakPolarHBondContact O-CB 3.23Å; I484-E488 VanDerWaalsContact O-CG 3.25Å; I484-E488 WeakPolarHBondContact O-CG 3.47Å; I484-E488 PolarHBondContact O-N 3.19Å; I485-E488 PolarHBondContact O-N 2.99Å; E488-R490 PolarHBondContact O-N 3.38Å; E488-Y533 HydrophobicContact CB-CD1 3.95Å; E488-Y533 HydrophobicContact CB-CE1 3.56Å; E488-Y533 HydrophobicContact CG-CE1 4.45Å |
| 489 | D | 80.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -77 | 114.9 | 171 | -168.3 | -60.1 | 0 | 0 | 0 | 109.5 | I485 L491 L492 F493 | I485-D489 VanDerWaalsContact O-CB 3.23Å; I485-D489 WeakPolarHBondContact O-CB 3.25Å; I485-D489 PolarHBondContact O-N 2.91Å; D489-L491 VanDerWaalsContact C-N 3.32Å; D489-L491 PolarHBondContact O-N 3.34Å; D489-L491 PolarHBondContact OD1-N 2.91Å; D489-L492 HydrophobicContact CB-CB 4.09Å; D489-L492 HydrophobicContact CB-CD1 3.88Å; D489-L492 HydrophobicContact CB-CG 4.08Å; D489-L492 PolarHBondContact O-N 2.96Å; D489-L492 PolarHBondContact OD1-N 3.09Å; D489-F493 WeakPolarHBondContact O-CB 3.47Å; D489-F493 PolarHBondContact O-N 3.37Å |
| 490 | R | 75.3 | Confident | 87.7 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 13% | 0.125 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.7 | -22.2 | -168.9 | -57.9 | -65.5 | -171.9 | 167.5 | 1.6 | 114.2 | E488 A494 L564 E655 | E488-R490 PolarHBondContact O-N 3.38Å; R490-A494 PolarHBondContact O-N 2.91Å; R490-L564 HydrophobicContact CB-CD1 3.18Å; R490-L564 HydrophobicContact CB-CD2 3.99Å; R490-L564 HydrophobicContact CB-CG 3.61Å; R490-L564 HydrophobicContact CG-CD1 3.61Å; R490-L564 HydrophobicContact CG-CG 4.03Å; R490-E655 IonicContact CZ-OE2 3.33Å; R490-E655 IonicContact NH1-OE2 3.4Å; R490-E655 PolarHBondContact NH1-OE2 3.45Å; R490-E655 IonicContact NH2-OE2 3.23Å; R490-E655 PolarHBondContact NH2-OE2 2.9Å |
| 491 | L | 80.4 | Confident | 87.9 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75.7 | -47.9 | 174.7 | -179.3 | 138.9 | 0 | 0 | 0 | 109.5 | D489 F493 A494 E495 A509 | D489-L491 VanDerWaalsContact C-N 3.32Å; D489-L491 PolarHBondContact O-N 3.34Å; D489-L491 PolarHBondContact OD1-N 2.91Å; L491-F493 VanDerWaalsContact C-N 3.26Å; L491-F493 PolarHBondContact O-N 3.04Å; L491-A494 PolarHBondContact O-N 2.9Å; L491-E495 WeakPolarHBondContact CD2-OE1 2.98Å; L491-E495 WeakPolarHBondContact O-CG 3.33Å; L491-E495 PolarHBondContact O-N 2.89Å; L491-A509 HydrophobicContact CD1-CB 4.3Å |
| 492 | L | 85.6 | Confident | 88.2 | Confident | 52 Ų | 52 | 43 Ų | 43 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.4 | -37.8 | 174.3 | -64 | 177.5 | 0 | 0 | 0 | 111.6 | I485 D489 E495 K496 | I485-L492 HydrophobicContact CG2-CD1 3.87Å; D489-L492 HydrophobicContact CB-CB 4.09Å; D489-L492 HydrophobicContact CB-CD1 3.88Å; D489-L492 HydrophobicContact CB-CG 4.08Å; D489-L492 PolarHBondContact O-N 2.96Å; D489-L492 PolarHBondContact OD1-N 3.09Å; L492-E495 PolarHBondContact O-N 3.22Å; L492-K496 WeakPolarHBondContact O-CB 3.24Å; L492-K496 VanDerWaalsContact O-CG 3.26Å; L492-K496 WeakPolarHBondContact O-CG 3.35Å; L492-K496 PolarHBondContact O-N 2.74Å |
| 493 | F | 87.8 | Confident | 88.4 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 175 | -179.8 | -108.3 | 0 | 0 | 0 | 111.9 | W486 D489 L491 E495 K496 M497 V504 V653 V656 | W486-F493 WeakPolarHBondContact O-CA 3.39Å; W486-F493 VanDerWaalsContact O-CB 3.27Å; W486-F493 WeakPolarHBondContact O-CB 3.46Å; W486-F493 PolarHBondContact O-N 3.46Å; W486-F493 VanDerWaalsContact O-N 3.15Å; D489-F493 WeakPolarHBondContact O-CB 3.47Å; D489-F493 PolarHBondContact O-N 3.37Å; L491-F493 VanDerWaalsContact C-N 3.26Å; L491-F493 PolarHBondContact O-N 3.04Å; F493-E495 VanDerWaalsContact C-N 3.33Å; F493-E495 PolarHBondContact O-N 3.01Å; F493-K496 PolarHBondContact O-N 3.21Å; F493-M497 HydrophobicContact CD1-CG 4.36Å; F493-M497 HydrophobicContact CD2-CE 4.39Å; F493-M497 HydrophobicContact CD2-CG 4.39Å; F493-M497 HydrophobicContact CE1-CG 3.93Å; F493-M497 HydrophobicContact CE2-CE 3.95Å; F493-M497 HydrophobicContact CE2-CG 3.93Å; F493-M497 HydrophobicContact CE2-SD 3.88Å; F493-M497 HydrophobicContact CZ-CG 3.69Å; F493-M497 HydrophobicContact CZ-SD 3.87Å; F493-M497 WeakPolarHBondContact O-CG 3.34Å; F493-M497 PolarHBondContact O-N 2.82Å; F493-V504 HydrophobicContact CE1-CG1 4.09Å; F493-V653 HydrophobicContact CE1-CG1 4.31Å; F493-V653 HydrophobicContact CZ-CG1 3.74Å; F493-V656 HydrophobicContact CE2-CB 3.85Å; F493-V656 HydrophobicContact CE2-CG2 3.53Å; F493-V656 HydrophobicContact CZ-CB 4.42Å; F493-V656 HydrophobicContact CZ-CG2 3.85Å |
| 494 | A | 83.9 | Confident | 88.3 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R490 L491 M497 A498 V504 | R490-A494 PolarHBondContact O-N 2.91Å; L491-A494 PolarHBondContact O-N 2.9Å; A494-M497 PolarHBondContact O-N 3.23Å; A494-A498 WeakPolarHBondContact O-CB 3.13Å; A494-A498 PolarHBondContact O-N 2.75Å; A494-V504 HydrophobicContact CB-CG2 4.22Å |
| 495 | E | 89.9 | Confident | 87.8 | Confident | 100 Ų | 100 | 43.6 Ų | 43.6 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 174 | -70.3 | 173.7 | 174.3 | 0 | 0 | 111.2 | L491 L492 F493 M497 A498 E499 | L491-E495 WeakPolarHBondContact CD2-OE1 2.98Å; L491-E495 WeakPolarHBondContact O-CG 3.33Å; L491-E495 PolarHBondContact O-N 2.89Å; L492-E495 PolarHBondContact O-N 3.22Å; F493-E495 VanDerWaalsContact C-N 3.33Å; F493-E495 PolarHBondContact O-N 3.01Å; E495-M497 VanDerWaalsContact C-N 3.34Å; E495-M497 PolarHBondContact O-N 2.93Å; E495-A498 WeakPolarHBondContact O-CB 3.3Å; E495-A498 PolarHBondContact O-N 3.03Å; E495-A498 VanDerWaalsContact O-N 3.13Å; E495-E499 WeakPolarHBondContact O-CG 3.35Å; E495-E499 PolarHBondContact O-N 3.5Å |
| 496 | K | 93.1 | Very high | 87.2 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 177.3 | -73.2 | -73.3 | 163.1 | -139.9 | 0 | 113.1 | W486 L492 F493 E499 H631 L632 | W486-K496 HydrophobicContact CB-CG 4.32Å; W486-K496 HydrophobicContact CD2-CD 4.36Å; W486-K496 HydrophobicContact CG-CG 4.23Å; L492-K496 WeakPolarHBondContact O-CB 3.24Å; L492-K496 VanDerWaalsContact O-CG 3.26Å; L492-K496 WeakPolarHBondContact O-CG 3.35Å; L492-K496 PolarHBondContact O-N 2.74Å; F493-K496 PolarHBondContact O-N 3.21Å; K496-E499 IonicContact NZ-OE1 3.26Å; K496-E499 PolarHBondContact NZ-OE1 3.33Å; K496-E499 IonicContact NZ-OE2 3.46Å; K496-E499 PolarHBondContact NZ-OE2 3.5Å; K496-H631 WeakPolarHBondContact CD-NE2 3.42Å; K496-H631 PolarHBondContact O-CD2 2.86Å; K496-H631 VanDerWaalsContact O-CD2 3.27Å; K496-H631 PolarHBondContact O-NE2 3.44Å; K496-H631 VanDerWaalsContact O-NE2 3.13Å; K496-L632 HydrophobicContact CB-CD2 4.03Å; K496-L632 HydrophobicContact CG-CD2 4.27Å |
| 497 | M | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 174.8 | -63.4 | -56.2 | 92.6 | 0 | 0 | 111.8 | F493 A494 E495 E499 I500 D501 E502 V504 I628 L632 V653 | F493-M497 HydrophobicContact CD1-CG 4.36Å; F493-M497 HydrophobicContact CD2-CE 4.39Å; F493-M497 HydrophobicContact CD2-CG 4.39Å; F493-M497 HydrophobicContact CE1-CG 3.93Å; F493-M497 HydrophobicContact CE2-CE 3.95Å; F493-M497 HydrophobicContact CE2-CG 3.93Å; F493-M497 HydrophobicContact CE2-SD 3.88Å; F493-M497 HydrophobicContact CZ-CG 3.69Å; F493-M497 HydrophobicContact CZ-SD 3.87Å; F493-M497 WeakPolarHBondContact O-CG 3.34Å; F493-M497 PolarHBondContact O-N 2.82Å; A494-M497 PolarHBondContact O-N 3.23Å; E495-M497 VanDerWaalsContact C-N 3.34Å; E495-M497 PolarHBondContact O-N 2.93Å; M497-E499 VanDerWaalsContact C-N 3.33Å; M497-E499 PolarHBondContact O-N 3.5Å; M497-I500 WeakPolarHBondContact O-CG1 3.29Å; M497-I500 PolarHBondContact O-N 3.29Å; M497-D501 PolarHBondContact O-N 2.82Å; M497-E502 HydrophobicContact CB-CB 4.23Å; M497-E502 PolarHBondContact O-N 2.79Å; M497-E502 HydrophobicContact SD-CB 4.35Å; M497-V504 HydrophobicContact CB-CG1 3.5Å; M497-V504 VanDerWaalsContact CB-CG1 3.5Å; M497-V504 HydrophobicContact CG-CG1 3.52Å; M497-I628 HydrophobicContact CE-CG2 4.04Å; M497-I628 HydrophobicContact SD-CB 4.47Å; M497-I628 HydrophobicContact SD-CD1 4.12Å; M497-I628 HydrophobicContact SD-CG1 3.8Å; M497-I628 HydrophobicContact SD-CG2 3.99Å; M497-L632 HydrophobicContact CE-CD1 3.98Å; M497-L632 HydrophobicContact CE-CD2 4.14Å; M497-L632 HydrophobicContact CE-CG 4.1Å; M497-V653 HydrophobicContact SD-CG1 4.44Å |
| 498 | A | 90.6 | Very high | 86.6 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.4 | -30.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A494 E495 I500 D501 | A494-A498 WeakPolarHBondContact O-CB 3.13Å; A494-A498 PolarHBondContact O-N 2.75Å; E495-A498 WeakPolarHBondContact O-CB 3.3Å; E495-A498 PolarHBondContact O-N 3.03Å; E495-A498 VanDerWaalsContact O-N 3.13Å; A498-I500 PolarHBondContact O-N 3.33Å; A498-D501 PolarHBondContact O-N 3.47Å |
| 499 | E | 95.8 | Very high | 86.6 | Confident | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.5 | 174.7 | -73.9 | 173.4 | -148.3 | 0 | 0 | 113.4 | E495 K496 M497 H631 | E495-E499 WeakPolarHBondContact O-CG 3.35Å; E495-E499 PolarHBondContact O-N 3.5Å; K496-E499 IonicContact NZ-OE1 3.26Å; K496-E499 PolarHBondContact NZ-OE1 3.33Å; K496-E499 IonicContact NZ-OE2 3.46Å; K496-E499 PolarHBondContact NZ-OE2 3.5Å; M497-E499 VanDerWaalsContact C-N 3.33Å; M497-E499 PolarHBondContact O-N 3.5Å; E499-H631 IonicContact OE2-CE1 3.4Å; E499-H631 PolarHBondContact OE2-CE1 3.17Å; E499-H631 VanDerWaalsContact OE2-CE1 3.22Å; E499-H631 IonicContact OE2-NE2 2.8Å; E499-H631 PolarHBondContact OE2-NE2 3.25Å |
| 500 | I | 93.7 | Very high | 87 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.205 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 19 | -179.2 | 59.2 | 165.7 | 0 | 0 | 0 | 113.2 | M497 A498 E502 I628 H631 | M497-I500 WeakPolarHBondContact O-CG1 3.29Å; M497-I500 PolarHBondContact O-N 3.29Å; A498-I500 PolarHBondContact O-N 3.33Å; I500-E502 HydrophobicContact CD1-CB 4.36Å; I500-E502 HydrophobicContact CD1-CG 3.63Å; I500-E502 HydrophobicContact CG1-CB 4.23Å; I500-E502 HydrophobicContact CG1-CG 3.82Å; I500-E502 PolarHBondContact O-N 2.88Å; I500-E502 VanDerWaalsContact O-N 3.17Å; I500-I628 HydrophobicContact CD1-CG1 4.11Å; I500-H631 HydrophobicContact CD1-CB 3.91Å; I500-H631 HydrophobicContact CG2-CB 3.97Å; I500-H631 VanDerWaalsContact CG2-CG 3.47Å; I500-H631 WeakPolarHBondContact CG2-ND1 3.39Å |
| 501 | D | 93.2 | Very high | 87.6 | Confident | 152 Ų | 152 | 53.7 Ų | 53.7 | 81% | 0.813 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 27.6 | 179.6 | -61.3 | -53.6 | 0 | 0 | 0 | 114.8 | M497 A498 | M497-D501 PolarHBondContact O-N 2.82Å; A498-D501 PolarHBondContact O-N 3.47Å |
| 502 | E | 94.4 | Very high | 88 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -86.2 | 126 | 175.8 | -71.1 | -66.4 | 168.5 | 0 | 0 | 111.1 | M497 I500 V504 S624 R627 I628 Y651 V653 | M497-E502 HydrophobicContact CB-CB 4.23Å; M497-E502 PolarHBondContact O-N 2.79Å; M497-E502 HydrophobicContact SD-CB 4.35Å; I500-E502 HydrophobicContact CD1-CB 4.36Å; I500-E502 HydrophobicContact CD1-CG 3.63Å; I500-E502 HydrophobicContact CG1-CB 4.23Å; I500-E502 HydrophobicContact CG1-CG 3.82Å; I500-E502 PolarHBondContact O-N 2.88Å; I500-E502 VanDerWaalsContact O-N 3.17Å; E502-V504 PolarHBondContact O-N 3.04Å; E502-S624 PolarHBondContact OE1-OG 3.36Å; E502-S624 PolarHBondContact OE2-OG 3.18Å; E502-R627 IonicContact OE1-CZ 3.97Å; E502-R627 VanDerWaalsContact OE1-CZ 3.28Å; E502-R627 IonicContact OE1-NE 3.46Å; E502-R627 PolarHBondContact OE1-NE 2.92Å; E502-R627 IonicContact OE1-NH2 3.79Å; E502-R627 PolarHBondContact OE1-NH2 3.46Å; E502-I628 HydrophobicContact CB-CG1 4.46Å; E502-I628 HydrophobicContact CG-CD1 4.2Å; E502-I628 HydrophobicContact CG-CG1 3.87Å; E502-Y651 WeakPolarHBondContact OE2-CE2 3.18Å; E502-Y651 PolarHBondContact OE2-OH 3.34Å; E502-V653 HydrophobicContact CB-CG2 4.22Å | ||
| 503 | P | 92.3 | Very high | 88.2 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | trans | -79.6 | 115.3 | -169 | 32.3 | -36.3 | 0 | 0 | 0 | 111.3 | Y651 R652 V653 | P503-Y651 HydrophobicContact CG-CD2 4.17Å; P503-Y651 HydrophobicContact CG-CE2 3.85Å; P503-Y651 WeakPolarHBondContact CG-O 3.34Å; P503-R652 CarbonylContact O-C 3.5Å; P503-R652 WeakPolarHBondContact O-CA 3.16Å; P503-R652 WeakPolarHBondContact O-CD 3.28Å; P503-V653 PolarHBondContact O-N 3.29Å | ||
| 504 | V | 87.7 | Confident | 88.4 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 24% | 0.242 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -95.7 | 155.9 | 172.4 | -68.3 | 0 | 0 | 0 | 0 | 112 | F493 A494 M497 E502 Q506 V653 | F493-V504 HydrophobicContact CE1-CG1 4.09Å; A494-V504 HydrophobicContact CB-CG2 4.22Å; M497-V504 HydrophobicContact CB-CG1 3.5Å; M497-V504 VanDerWaalsContact CB-CG1 3.5Å; M497-V504 HydrophobicContact CG-CG1 3.52Å; E502-V504 PolarHBondContact O-N 3.04Å; V504-Q506 PolarHBondContact O-N 3.14Å; V504-V653 HydrophobicContact CG1-CB 4.26Å |
| 505 | A | 76.6 | Confident | 88.8 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 130.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C507 L569 | A505-C507 PolarHBondContact O-N 2.88Å; A505-L569 HydrophobicContact CB-CD1 3.99Å |
| 506 | Q | 76.4 | Confident | 88.8 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 123.6 | 179 | -172.5 | -177.9 | -1.9 | 0 | 0 | 110 | V504 L523 G566 L567 | V504-Q506 PolarHBondContact O-N 3.14Å; Q506-L523 HydrophobicContact CB-CD2 4.39Å; Q506-L523 HydrophobicContact CG-CD2 3.79Å; Q506-G566 CarbonylContact O-C 3.56Å; Q506-G566 VanDerWaalsContact O-CA 3.31Å; Q506-G566 WeakPolarHBondContact O-CA 3.16Å; Q506-L567 HydrophobicContact CB-CB 4.4Å; Q506-L567 PolarHBondContact O-N 2.9Å |
| 507 | C | 80.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163.8 | -179.3 | 61 | 0 | 0 | 0 | 0 | 113.2 | A505 L564 I565 | A505-C507 PolarHBondContact O-N 2.88Å; C507-L564 HydrophobicContact CB-CD1 4.31Å; C507-L564 HydrophobicContact CB-CD2 4.48Å; C507-I565 CarbonylContact C-O 3.49Å; C507-I565 WeakPolarHBondContact CA-O 3.49Å |
| 508 | R | 84.3 | Confident | 88.8 | Confident | 88 Ų | 88 | 53.4 Ų | 53.4 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.1 | 174.4 | -64.9 | -70.9 | 176.5 | -101.4 | 6.9 | 109 | A519 E522 L523 L564 I565 | R508-A519 HydrophobicContact CB-CB 3.62Å; R508-A519 HydrophobicContact CG-CB 3.92Å; R508-E522 IonicContact CZ-OE1 3.87Å; R508-E522 IonicContact CZ-OE2 3.89Å; R508-E522 IonicContact NE-OE1 3.15Å; R508-E522 PolarHBondContact NE-OE1 2.8Å; R508-E522 IonicContact NE-OE2 2.76Å; R508-E522 PolarHBondContact NE-OE2 2.97Å; R508-E522 VanDerWaalsContact NE-OE2 3.07Å; R508-E522 IonicContact NH2-OE1 2.77Å; R508-E522 PolarHBondContact NH2-OE1 3.26Å; R508-E522 IonicContact NH2-OE2 2.81Å; R508-L523 HydrophobicContact CG-CD1 4.39Å; R508-L564 WeakPolarHBondContact O-CA 3.27Å; R508-I565 PolarHBondContact N-O 3.1Å; R508-I565 PolarHBondContact O-N 3.38Å |
| 509 | A | 83.5 | Confident | 88.8 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 130.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L491 Q562 L563 L564 | L491-A509 HydrophobicContact CD1-CB 4.3Å; A509-Q562 HydrophobicContact CB-CG 4.3Å; A509-L563 CarbonylContact C-O 3.53Å; A509-L563 WeakPolarHBondContact CA-O 3.38Å; A509-L564 HydrophobicContact CB-CD2 3.82Å |
| 510 | V | 88.7 | Confident | 88.6 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.2 | -176.3 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | A515 A516 A519 L563 I565 | V510-A515 HydrophobicContact CB-CB 3.86Å; V510-A515 HydrophobicContact CG1-CB 3.92Å; V510-A515 WeakPolarHBondContact CG1-O 3.48Å; V510-A516 HydrophobicContact CG2-CB 3.82Å; V510-A519 HydrophobicContact CG1-CB 4.09Å; V510-L563 HydrophobicContact CG2-CB 3.84Å; V510-L563 PolarHBondContact N-O 3.39Å; V510-L563 PolarHBondContact O-N 2.81Å; V510-I565 HydrophobicContact CG1-CG1 4.29Å; V510-I565 HydrophobicContact CG2-CD1 4.17Å; V510-I565 HydrophobicContact CG2-CG1 3.86Å |
| 511 | S | 86.6 | Confident | 88.4 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -114.2 | -1.7 | -179.3 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 512 | C | 89.8 | Confident | 88.2 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -144.9 | 159.7 | 176.9 | 67 | 0 | 0 | 0 | 0 | 110.9 | S514 A515 A516 | C512-S514 PolarHBondContact O-N 3.02Å; C512-S514 PolarHBondContact SG-OG 2.83Å; C512-A515 PolarHBondContact O-N 3.03Å; C512-A515 VanDerWaalsContact SG-CB 3.52Å; C512-A516 PolarHBondContact O-N 2.88Å; C512-A516 VanDerWaalsContact O-N 3.12Å |
| 513 | V | 89.1 | Confident | 87.8 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | -175.9 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | A515 A516 I517 E550 A553 R554 L557 | V513-A515 VanDerWaalsContact C-N 3.34Å; V513-A515 PolarHBondContact O-N 3.12Å; V513-A516 WeakPolarHBondContact O-CB 3.44Å; V513-A516 PolarHBondContact O-N 3.5Å; V513-A516 VanDerWaalsContact O-N 3.16Å; V513-I517 HydrophobicContact CG1-CD1 4.3Å; V513-I517 WeakPolarHBondContact O-CG1 3.46Å; V513-I517 PolarHBondContact O-N 2.92Å; V513-E550 HydrophobicContact CG1-CB 4.45Å; V513-E550 HydrophobicContact CG1-CG 3.62Å; V513-A553 HydrophobicContact CG1-CB 4.42Å; V513-A553 HydrophobicContact CG2-CB 4.33Å; V513-R554 HydrophobicContact CG1-CG 4.5Å; V513-R554 HydrophobicContact CG2-CG 3.67Å; V513-L557 HydrophobicContact CG2-CD1 3.99Å |
| 514 | S | 92.4 | Very high | 87.5 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 60% | 0.601 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 177.4 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | C512 A516 I517 A518 | C512-S514 PolarHBondContact O-N 3.02Å; C512-S514 PolarHBondContact SG-OG 2.83Å; S514-A516 VanDerWaalsContact C-N 3.32Å; S514-I517 PolarHBondContact O-N 2.96Å; S514-A518 PolarHBondContact O-N 2.81Å; S514-A518 VanDerWaalsContact O-N 3.1Å |
| 515 | A | 91.8 | Very high | 87.5 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V510 C512 V513 A518 A519 | V510-A515 HydrophobicContact CB-CB 3.86Å; V510-A515 HydrophobicContact CG1-CB 3.92Å; V510-A515 WeakPolarHBondContact CG1-O 3.48Å; C512-A515 PolarHBondContact O-N 3.03Å; C512-A515 VanDerWaalsContact SG-CB 3.52Å; V513-A515 VanDerWaalsContact C-N 3.34Å; V513-A515 PolarHBondContact O-N 3.12Å; A515-A518 PolarHBondContact O-N 3.38Å; A515-A519 WeakPolarHBondContact O-CB 3.35Å; A515-A519 PolarHBondContact O-N 2.93Å |
| 516 | A | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V510 C512 V513 S514 A519 A520 L549 A553 I565 | V510-A516 HydrophobicContact CG2-CB 3.82Å; C512-A516 PolarHBondContact O-N 2.88Å; C512-A516 VanDerWaalsContact O-N 3.12Å; V513-A516 WeakPolarHBondContact O-CB 3.44Å; V513-A516 PolarHBondContact O-N 3.5Å; V513-A516 VanDerWaalsContact O-N 3.16Å; S514-A516 VanDerWaalsContact C-N 3.32Å; A516-A519 PolarHBondContact O-N 2.88Å; A516-A520 PolarHBondContact O-N 3.45Å; A516-L549 HydrophobicContact CB-CD1 4.45Å; A516-L549 WeakPolarHBondContact O-CD2 3.45Å; A516-A553 HydrophobicContact CB-CB 4.04Å; A516-I565 HydrophobicContact CB-CD1 3.93Å; A516-I565 HydrophobicContact CB-CG1 4.03Å |
| 517 | I | 94.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 19% | 0.185 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 178.1 | -65.7 | 167.8 | 0 | 0 | 0 | 110.6 | V513 S514 A519 A520 E521 L549 | V513-I517 HydrophobicContact CG1-CD1 4.3Å; V513-I517 WeakPolarHBondContact O-CG1 3.46Å; V513-I517 PolarHBondContact O-N 2.92Å; S514-I517 PolarHBondContact O-N 2.96Å; I517-A519 VanDerWaalsContact C-N 3.32Å; I517-A519 PolarHBondContact O-N 3.29Å; I517-A520 PolarHBondContact O-N 3.42Å; I517-A520 VanDerWaalsContact O-N 3.11Å; I517-E521 HydrophobicContact CG2-CG 4.45Å; I517-E521 WeakPolarHBondContact O-CG 3.24Å; I517-E521 PolarHBondContact O-N 2.92Å; I517-L549 HydrophobicContact CG1-CD2 4.27Å |
| 518 | A | 93.3 | Very high | 88.7 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 45% | 0.446 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S514 A515 A520 E521 E522 | S514-A518 PolarHBondContact O-N 2.81Å; S514-A518 VanDerWaalsContact O-N 3.1Å; A515-A518 PolarHBondContact O-N 3.38Å; A518-A520 VanDerWaalsContact C-N 3.33Å; A518-A520 PolarHBondContact O-N 2.92Å; A518-E521 PolarHBondContact O-N 2.53Å; A518-E522 PolarHBondContact O-N 2.9Å; A518-E522 VanDerWaalsContact O-N 3.09Å |
| 519 | A | 89.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R508 V510 A515 A516 I517 E522 L523 I565 | R508-A519 HydrophobicContact CB-CB 3.62Å; R508-A519 HydrophobicContact CG-CB 3.92Å; V510-A519 HydrophobicContact CG1-CB 4.09Å; A515-A519 WeakPolarHBondContact O-CB 3.35Å; A515-A519 PolarHBondContact O-N 2.93Å; A516-A519 PolarHBondContact O-N 2.88Å; I517-A519 VanDerWaalsContact C-N 3.32Å; I517-A519 PolarHBondContact O-N 3.29Å; A519-E522 PolarHBondContact O-N 3.04Å; A519-L523 WeakPolarHBondContact O-CB 3.32Å; A519-L523 VanDerWaalsContact O-CG 3.27Å; A519-L523 WeakPolarHBondContact O-CG 3.31Å; A519-L523 PolarHBondContact O-N 2.82Å; A519-I565 HydrophobicContact CB-CB 3.94Å; A519-I565 HydrophobicContact CB-CG1 4.1Å; A519-I565 HydrophobicContact CB-CG2 4.24Å |
| 520 | A | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.7 | -31.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A516 I517 A518 E522 G524 Y525 V527 L549 I565 | A516-A520 PolarHBondContact O-N 3.45Å; I517-A520 PolarHBondContact O-N 3.42Å; I517-A520 VanDerWaalsContact O-N 3.11Å; A518-A520 VanDerWaalsContact C-N 3.33Å; A518-A520 PolarHBondContact O-N 2.92Å; A520-E522 VanDerWaalsContact C-N 3.32Å; A520-G524 WeakPolarHBondContact O-CA 3.48Å; A520-G524 PolarHBondContact O-N 2.66Å; A520-Y525 HydrophobicContact CB-CE1 3.95Å; A520-Y525 HydrophobicContact CB-CE2 4.12Å; A520-Y525 WeakPolarHBondContact CB-OH 3.44Å; A520-V527 HydrophobicContact CB-CB 4.47Å; A520-V527 HydrophobicContact CB-CG1 3.88Å; A520-V527 HydrophobicContact CB-CG2 3.87Å; A520-L549 HydrophobicContact CB-CD2 3.31Å; A520-I565 HydrophobicContact CB-CG2 4.1Å |
| 521 | E | 91.2 | Very high | 88.1 | Confident | 140 Ų | 140 | 42.3 Ų | 42.3 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.7 | -34.8 | 171.4 | -72.4 | 175.7 | 173.9 | 0 | 0 | 111.8 | I517 A518 | I517-E521 HydrophobicContact CG2-CG 4.45Å; I517-E521 WeakPolarHBondContact O-CG 3.24Å; I517-E521 PolarHBondContact O-N 2.92Å; A518-E521 PolarHBondContact O-N 2.53Å |
| 522 | E | 88.2 | Confident | 87.3 | Confident | 116 Ų | 116 | 38 Ų | 38 | 54% | 0.542 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.7 | -48.3 | 172.9 | -172.3 | -166.4 | 164.3 | 0 | 0 | 112.1 | R508 A518 A519 A520 | R508-E522 IonicContact CZ-OE1 3.87Å; R508-E522 IonicContact CZ-OE2 3.89Å; R508-E522 IonicContact NE-OE1 3.15Å; R508-E522 PolarHBondContact NE-OE1 2.8Å; R508-E522 IonicContact NE-OE2 2.76Å; R508-E522 PolarHBondContact NE-OE2 2.97Å; R508-E522 VanDerWaalsContact NE-OE2 3.07Å; R508-E522 IonicContact NH2-OE1 2.77Å; R508-E522 PolarHBondContact NH2-OE1 3.26Å; R508-E522 IonicContact NH2-OE2 2.81Å; A518-E522 PolarHBondContact O-N 2.9Å; A518-E522 VanDerWaalsContact O-N 3.09Å; A519-E522 PolarHBondContact O-N 3.04Å; A520-E522 VanDerWaalsContact C-N 3.32Å |
| 523 | L | 86.7 | Confident | 86.1 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.2 | -27.5 | -174.5 | -69 | 167.8 | 0 | 0 | 0 | 113.9 | Q506 R508 A519 V527 I565 | Q506-L523 HydrophobicContact CB-CD2 4.39Å; Q506-L523 HydrophobicContact CG-CD2 3.79Å; R508-L523 HydrophobicContact CG-CD1 4.39Å; A519-L523 WeakPolarHBondContact O-CB 3.32Å; A519-L523 VanDerWaalsContact O-CG 3.27Å; A519-L523 WeakPolarHBondContact O-CG 3.31Å; A519-L523 PolarHBondContact O-N 2.82Å; L523-V527 HydrophobicContact CB-CG1 4.32Å; L523-I565 HydrophobicContact CD1-CB 4.48Å; L523-I565 HydrophobicContact CD1-CG2 4.1Å; L523-I565 WeakPolarHBondContact CD1-O 3.41Å |
| 524 | G | 86.2 | Confident | 84.9 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | trans | 83.8 | 141.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A520 V527 | A520-G524 WeakPolarHBondContact O-CA 3.48Å; A520-G524 PolarHBondContact O-N 2.66Å; G524-V527 WeakPolarHBondContact O-CG1 3.39Å | ||
| 525 | Y | 86.3 | Confident | 83.1 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -80.9 | 151 | 176.2 | -69.1 | -85.6 | 0 | 0 | 0 | 111.9 | A520 V527 A543 N545 C546 L549 | A520-Y525 HydrophobicContact CB-CE1 3.95Å; A520-Y525 HydrophobicContact CB-CE2 4.12Å; A520-Y525 WeakPolarHBondContact CB-OH 3.44Å; Y525-V527 HydrophobicContact CD1-CG2 4.01Å; Y525-V527 HydrophobicContact CE1-CG2 3.92Å; Y525-A543 WeakPolarHBondContact CD1-O 3.48Å; Y525-A543 HydrophobicContact CE1-CB 4.38Å; Y525-N545 WeakPolarHBondContact CE1-O 2.98Å; Y525-C546 VanDerWaalsContact OH-CA 3.23Å; Y525-C546 WeakPolarHBondContact OH-CA 3.23Å; Y525-L549 HydrophobicContact CE1-CB 4.14Å; Y525-L549 HydrophobicContact CE1-CD2 4.14Å; Y525-L549 VanDerWaalsContact OH-CD2 3.22Å; Y525-L549 WeakPolarHBondContact OH-CD2 3.35Å |
| 526 | P | 86.1 | Confident | 81.5 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 31% | 0.312 | 20% | 0.2 | S | C | . | . | S | Bend | cis | -74.8 | 145.1 | -1.7 | 30.4 | -35.1 | 0 | 0 | 0 | 113.1 | L542 A543 N568 | P526-L542 HydrophobicContact CB-CD1 4.31Å; P526-A543 CarbonylContact C-O 3.09Å; P526-A543 WeakPolarHBondContact CA-O 3.44Å; P526-N568 HydrophobicContact CG-CB 4.44Å; P526-N568 WeakPolarHBondContact CG-ND2 3.07Å; P526-N568 WeakPolarHBondContact O-CB 3.45Å |
| 527 | V | 88.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144 | 176.3 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | A520 L523 G524 Y525 L542 A543 L549 I565 | A520-V527 HydrophobicContact CB-CB 4.47Å; A520-V527 HydrophobicContact CB-CG1 3.88Å; A520-V527 HydrophobicContact CB-CG2 3.87Å; L523-V527 HydrophobicContact CB-CG1 4.32Å; G524-V527 WeakPolarHBondContact O-CG1 3.39Å; Y525-V527 HydrophobicContact CD1-CG2 4.01Å; Y525-V527 HydrophobicContact CE1-CG2 3.92Å; V527-L542 WeakPolarHBondContact O-CD1 3.29Å; V527-A543 HydrophobicContact CG2-CB 3.99Å; V527-A543 PolarHBondContact N-O 2.58Å; V527-A543 PolarHBondContact O-N 2.89Å; V527-L549 HydrophobicContact CG2-CD1 4.19Å; V527-L549 HydrophobicContact CG2-CD2 4.49Å; V527-I565 HydrophobicContact CB-CG2 3.85Å; V527-I565 HydrophobicContact CG1-CG2 4.11Å; V527-I565 HydrophobicContact CG2-CG2 3.95Å |
| 528 | L | 84.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.4 | 173.1 | -179.2 | 63.3 | 0 | 0 | 0 | 109.3 | R530 G566 | L528-R530 HydrophobicContact CD2-CG 4.29Å; L528-R530 HydrophobicContact CG-CG 4.06Å; L528-G566 PolarHBondContact N-O 3.11Å; L528-G566 PolarHBondContact O-N 2.63Å |
| 529 | V | 85.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.9 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | S540 G541 L549 I552 L563 L564 I565 | V529-S540 CarbonylContact O-C 3.48Å; V529-S540 WeakPolarHBondContact O-CA 3.36Å; V529-S540 VanDerWaalsContact O-CB 3.23Å; V529-S540 WeakPolarHBondContact O-CB 3.27Å; V529-G541 WeakPolarHBondContact CB-O 3.31Å; V529-G541 PolarHBondContact N-O 2.99Å; V529-G541 PolarHBondContact O-N 3.37Å; V529-L549 HydrophobicContact CG2-CD1 3.41Å; V529-L549 VanDerWaalsContact CG2-CD1 3.41Å; V529-I552 HydrophobicContact CB-CG2 3.7Å; V529-I552 HydrophobicContact CG1-CG2 3.78Å; V529-I552 HydrophobicContact CG2-CB 4.46Å; V529-I552 HydrophobicContact CG2-CG2 4.01Å; V529-L563 HydrophobicContact CG1-CB 4.43Å; V529-L563 HydrophobicContact CG1-CD1 3.92Å; V529-L564 WeakPolarHBondContact CA-O 3.38Å; V529-I565 HydrophobicContact CB-CD1 4.32Å; V529-I565 HydrophobicContact CG1-CD1 3.87Å; V529-I565 HydrophobicContact CG2-CD1 4Å |
| 530 | R | 80.1 | Confident | 77.7 | Confident | 45 Ų | 45 | 37 Ų | 37 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.3 | 177.2 | -54.8 | -173.3 | -163 | 174.3 | 4.8 | 111.4 | L528 S540 L563 L564 I654 | L528-R530 HydrophobicContact CD2-CG 4.29Å; L528-R530 HydrophobicContact CG-CG 4.06Å; R530-S540 WeakPolarHBondContact CA-OG 3.33Å; R530-L563 CarbonylContact O-C 3.58Å; R530-L563 VanDerWaalsContact O-CA 3.32Å; R530-L563 WeakPolarHBondContact O-CA 3.32Å; R530-L564 HydrophobicContact CB-CB 4.44Å; R530-L564 PolarHBondContact N-O 2.79Å; R530-L564 PolarHBondContact O-N 3.31Å; R530-I654 PolarHBondContact NH1-O 3.48Å |
| 531 | A | 78.1 | Confident | 77.2 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T534 S540 L563 | A531-T534 HydrophobicContact CB-CG2 3.54Å; A531-T534 PolarHBondContact O-OG1 3.41Å; A531-S540 PolarHBondContact N-OG 3.06Å; A531-L563 HydrophobicContact CB-CD2 3.67Å |
| 532 | A | 69.3 | Low | 76.9 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 147.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T534 S560 Q562 | A532-T534 WeakPolarHBondContact O-CG2 3.32Å; A532-T534 PolarHBondContact O-N 2.87Å; A532-S560 WeakPolarHBondContact O-CB 3.49Å; A532-S560 PolarHBondContact O-OG 2.92Å; A532-Q562 PolarHBondContact N-O 3Å |
| 533 | Y | 65.6 | Low | 76.9 | Confident | 68 Ų | 68 | 27.6 Ų | 27.6 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24.3 | 177.7 | -59.9 | -90.9 | 0 | 0 | 0 | 116.1 | N458 E488 | N458-Y533 PolarHBondContact ND2-O 2.92Å; N458-Y533 VanDerWaalsContact ND2-O 3.14Å; E488-Y533 HydrophobicContact CB-CD1 3.95Å; E488-Y533 HydrophobicContact CB-CE1 3.56Å; E488-Y533 HydrophobicContact CG-CE1 4.45Å |
| 534 | T | 63.8 | Low | 77 | Confident | 26 Ų | 26 | 31.5 Ų | 31.5 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | trans | -103.5 | 141.4 | -175.5 | 65 | 0 | 0 | 0 | 0 | 113.5 | A531 A532 F538 V559 | A531-T534 HydrophobicContact CB-CG2 3.54Å; A531-T534 PolarHBondContact O-OG1 3.41Å; A532-T534 WeakPolarHBondContact O-CG2 3.32Å; A532-T534 PolarHBondContact O-N 2.87Å; T534-F538 VanDerWaalsContact CB-O 3.24Å; T534-F538 WeakPolarHBondContact CB-O 3.3Å; T534-F538 VanDerWaalsContact CG2-O 3.3Å; T534-F538 WeakPolarHBondContact CG2-O 3.26Å; T534-F538 PolarHBondContact OG1-O 3.46Å; T534-V559 HydrophobicContact CG2-CG2 4.44Å | ||
| 535 | L | 54 | Low | 77.2 | Confident | 70 Ų | 70 | 33 Ų | 33 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 117.5 | -179.4 | -178.8 | 71.1 | 0 | 0 | 0 | 111.9 | Q454 R1253 | Q454-L535 HydrophobicContact CB-CB 3.91Å; Q454-L535 HydrophobicContact CB-CD1 3.56Å; Q454-L535 HydrophobicContact CB-CG 4.28Å; Q454-L535 HydrophobicContact CG-CB 4.36Å; L535-R1253 PolarHBondContact O-NH2 3.01Å |
| 536 | G | 59.1 | Low | 77.5 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 33.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | F538 M733 | G536-F538 VanDerWaalsContact C-N 3.26Å; G536-F538 PolarHBondContact O-N 3.24Å; G536-M733 PolarHBondContact O-N 3.06Å |
| 537 | G | 65.7 | Low | 77.7 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 67.2 | 23.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G539 S540 S732 | G537-G539 PolarHBondContact O-N 2.83Å; G537-S540 WeakPolarHBondContact O-CB 3.49Å; G537-S540 PolarHBondContact O-N 2.9Å; G537-S540 PolarHBondContact O-OG 3.22Å; G537-S732 PolarHBondContact O-OG 2.91Å |
| 538 | F | 69.7 | Low | 77.7 | Confident | 49 Ų | 49 | 40.3 Ų | 40.3 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 126.3 | -178.5 | -178.1 | -118.2 | 0 | 0 | 0 | 111.4 | T534 G536 S540 V559 S1252 R1253 | T534-F538 VanDerWaalsContact CB-O 3.24Å; T534-F538 WeakPolarHBondContact CB-O 3.3Å; T534-F538 VanDerWaalsContact CG2-O 3.3Å; T534-F538 WeakPolarHBondContact CG2-O 3.26Å; T534-F538 PolarHBondContact OG1-O 3.46Å; G536-F538 VanDerWaalsContact C-N 3.26Å; G536-F538 PolarHBondContact O-N 3.24Å; F538-S540 VanDerWaalsContact C-N 3.28Å; F538-V559 HydrophobicContact CD1-CB 4.3Å; F538-V559 HydrophobicContact CD1-CG1 4.21Å; F538-V559 HydrophobicContact CD1-CG2 4.06Å; F538-V559 HydrophobicContact CE1-CB 4.03Å; F538-V559 HydrophobicContact CE1-CG1 3.46Å; F538-V559 VanDerWaalsContact CE1-CG1 3.46Å; F538-V559 HydrophobicContact CE1-CG2 4.08Å; F538-V559 HydrophobicContact CZ-CG1 4.21Å; F538-S1252 WeakPolarHBondContact CE2-O 3.26Å; F538-R1253 HydrophobicContact CD2-CG 4.47Å |
| 539 | G | 73 | Confident | 78.1 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -3.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | G537 G556 | G537-G539 PolarHBondContact O-N 2.83Å; G539-G556 WeakPolarHBondContact O-CA 3.44Å |
| 540 | S | 79.4 | Confident | 78.3 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | trans | -86.9 | 161.8 | 171 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | V529 R530 A531 G537 F538 | V529-S540 CarbonylContact O-C 3.48Å; V529-S540 WeakPolarHBondContact O-CA 3.36Å; V529-S540 VanDerWaalsContact O-CB 3.23Å; V529-S540 WeakPolarHBondContact O-CB 3.27Å; R530-S540 WeakPolarHBondContact CA-OG 3.33Å; A531-S540 PolarHBondContact N-OG 3.06Å; G537-S540 WeakPolarHBondContact O-CB 3.49Å; G537-S540 PolarHBondContact O-N 2.9Å; G537-S540 PolarHBondContact O-OG 3.22Å; F538-S540 VanDerWaalsContact C-N 3.28Å | ||
| 541 | G | 80.9 | Confident | 78.3 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | V529 S731 | V529-G541 WeakPolarHBondContact CB-O 3.31Å; V529-G541 PolarHBondContact N-O 2.99Å; V529-G541 PolarHBondContact O-N 3.37Å; G541-S731 WeakPolarHBondContact CA-OG 3.47Å; G541-S731 PolarHBondContact N-OG 2.85Å |
| 542 | L | 85.1 | Confident | 78.7 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.5 | 175.5 | -174.3 | 73.1 | 0 | 0 | 0 | 110.6 | P526 V527 H544 I552 N568 L570 | P526-L542 HydrophobicContact CB-CD1 4.31Å; V527-L542 WeakPolarHBondContact O-CD1 3.29Å; L542-H544 VanDerWaalsContact CD2-NE2 3.28Å; L542-H544 WeakPolarHBondContact CD2-NE2 3.39Å; L542-I552 VanDerWaalsContact O-CD1 3.24Å; L542-I552 WeakPolarHBondContact O-CD1 3.46Å; L542-N568 HydrophobicContact CD1-CB 4.45Å; L542-N568 WeakPolarHBondContact CD1-ND2 3.35Å; L542-L570 HydrophobicContact CD2-CD1 3.72Å; L542-L570 HydrophobicContact CD2-CD2 4.46Å; L542-L570 HydrophobicContact CD2-CG 4.38Å |
| 543 | A | 88.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y525 P526 V527 Q548 L549 I552 | Y525-A543 WeakPolarHBondContact CD1-O 3.48Å; Y525-A543 HydrophobicContact CE1-CB 4.38Å; P526-A543 CarbonylContact C-O 3.09Å; P526-A543 WeakPolarHBondContact CA-O 3.44Å; V527-A543 HydrophobicContact CG2-CB 3.99Å; V527-A543 PolarHBondContact N-O 2.58Å; V527-A543 PolarHBondContact O-N 2.89Å; A543-Q548 HydrophobicContact CB-CB 4.12Å; A543-L549 HydrophobicContact CB-CB 3.68Å; A543-L549 HydrophobicContact CB-CD1 4.32Å; A543-I552 HydrophobicContact CB-CD1 4.13Å |
| 544 | H | 87.4 | Confident | 80.4 | Confident | 102 Ų | 102 | 47.2 Ų | 47.2 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -93.8 | -9 | 173.7 | -62.9 | -92.4 | 0 | 0 | 0 | 113.1 | L542 | L542-H544 VanDerWaalsContact CD2-NE2 3.28Å; L542-H544 WeakPolarHBondContact CD2-NE2 3.39Å |
| 545 | N | 91.9 | Very high | 81.1 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -157.1 | 167.2 | 178.9 | 55.1 | 65.5 | 0 | 0 | 0 | 110.7 | Y525 K547 Q548 L549 | Y525-N545 WeakPolarHBondContact CE1-O 2.98Å; N545-K547 VanDerWaalsContact C-N 3.31Å; N545-K547 PolarHBondContact O-N 2.94Å; N545-K547 PolarHBondContact OD1-N 3.02Å; N545-Q548 PolarHBondContact O-N 3.2Å; N545-Q548 WeakPolarHBondContact OD1-CG 3.37Å; N545-Q548 PolarHBondContact OD1-N 3.4Å; N545-L549 PolarHBondContact O-N 3.49Å |
| 546 | C | 92.8 | Very high | 82.4 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.1 | -39.9 | -177.6 | -176.5 | 0 | 0 | 0 | 0 | 113.6 | Y525 L549 E550 | Y525-C546 VanDerWaalsContact OH-CA 3.23Å; Y525-C546 WeakPolarHBondContact OH-CA 3.23Å; C546-L549 WeakPolarHBondContact O-CB 3.45Å; C546-L549 PolarHBondContact O-N 3.36Å; C546-E550 PolarHBondContact O-N 3.24Å |
| 547 | K | 90 | Very high | 83.6 | Confident | 154 Ų | 154 | 49.1 Ų | 49.1 | 67% | 0.67 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.2 | -46.5 | 178.5 | -176.2 | 175.3 | -179.4 | 175.8 | 0 | 112.3 | N545 L549 E550 D551 | N545-K547 VanDerWaalsContact C-N 3.31Å; N545-K547 PolarHBondContact O-N 2.94Å; N545-K547 PolarHBondContact OD1-N 3.02Å; K547-L549 VanDerWaalsContact C-N 3.29Å; K547-L549 PolarHBondContact O-N 3.16Å; K547-E550 PolarHBondContact O-N 3.42Å; K547-D551 PolarHBondContact O-N 3.27Å; K547-D551 VanDerWaalsContact O-N 3.15Å |
| 548 | Q | 88.7 | Confident | 84 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 176.1 | -72.9 | 176.3 | -6 | 0 | 0 | 111.6 | A543 N545 D551 I552 | A543-Q548 HydrophobicContact CB-CB 4.12Å; N545-Q548 PolarHBondContact O-N 3.2Å; N545-Q548 WeakPolarHBondContact OD1-CG 3.37Å; N545-Q548 PolarHBondContact OD1-N 3.4Å; Q548-D551 PolarHBondContact O-N 3.47Å; Q548-I552 WeakPolarHBondContact O-CD1 3.38Å; Q548-I552 VanDerWaalsContact O-CG1 3.24Å; Q548-I552 WeakPolarHBondContact O-CG1 3.03Å; Q548-I552 PolarHBondContact O-N 3.19Å |
| 549 | L | 91.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.3 | 175.7 | 62 | 0 | 0 | 0 | 111.6 | A516 I517 A520 Y525 V527 V529 A543 N545 C546 K547 D551 I552 A553 I565 | A516-L549 HydrophobicContact CB-CD1 4.45Å; A516-L549 WeakPolarHBondContact O-CD2 3.45Å; I517-L549 HydrophobicContact CG1-CD2 4.27Å; A520-L549 HydrophobicContact CB-CD2 3.31Å; Y525-L549 HydrophobicContact CE1-CB 4.14Å; Y525-L549 HydrophobicContact CE1-CD2 4.14Å; Y525-L549 VanDerWaalsContact OH-CD2 3.22Å; Y525-L549 WeakPolarHBondContact OH-CD2 3.35Å; V527-L549 HydrophobicContact CG2-CD1 4.19Å; V527-L549 HydrophobicContact CG2-CD2 4.49Å; V529-L549 HydrophobicContact CG2-CD1 3.41Å; V529-L549 VanDerWaalsContact CG2-CD1 3.41Å; A543-L549 HydrophobicContact CB-CB 3.68Å; A543-L549 HydrophobicContact CB-CD1 4.32Å; N545-L549 PolarHBondContact O-N 3.49Å; C546-L549 WeakPolarHBondContact O-CB 3.45Å; C546-L549 PolarHBondContact O-N 3.36Å; K547-L549 VanDerWaalsContact C-N 3.29Å; K547-L549 PolarHBondContact O-N 3.16Å; L549-D551 VanDerWaalsContact C-N 3.31Å; L549-D551 PolarHBondContact O-N 2.88Å; L549-I552 PolarHBondContact O-N 3.2Å; L549-A553 WeakPolarHBondContact O-CB 3.47Å; L549-A553 PolarHBondContact O-N 2.85Å; L549-I565 HydrophobicContact CD1-CD1 3.91Å |
| 550 | E | 88.9 | Confident | 84.3 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58 | -45.7 | 178.5 | -160.7 | -169.8 | 154.8 | 0 | 0 | 111.3 | V513 C546 K547 A553 R554 | V513-E550 HydrophobicContact CG1-CB 4.45Å; V513-E550 HydrophobicContact CG1-CG 3.62Å; C546-E550 PolarHBondContact O-N 3.24Å; K547-E550 PolarHBondContact O-N 3.42Å; E550-A553 PolarHBondContact O-N 2.84Å; E550-R554 WeakPolarHBondContact O-CB 3.46Å; E550-R554 VanDerWaalsContact O-CG 3.24Å; E550-R554 WeakPolarHBondContact O-CG 3.34Å; E550-R554 PolarHBondContact O-N 3.44Å; E550-R554 IonicContact OE1-CZ 3.93Å; E550-R554 IonicContact OE1-NE 3.22Å; E550-R554 PolarHBondContact OE1-NE 3.41Å; E550-R554 IonicContact OE1-NH2 3.86Å; E550-R554 PolarHBondContact OE1-NH2 3.1Å |
| 551 | D | 82.1 | Confident | 84.2 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 178.2 | -75.3 | -22.5 | 0 | 0 | 0 | 112.2 | K547 Q548 L549 R555 | K547-D551 PolarHBondContact O-N 3.27Å; K547-D551 VanDerWaalsContact O-N 3.15Å; Q548-D551 PolarHBondContact O-N 3.47Å; L549-D551 VanDerWaalsContact C-N 3.31Å; L549-D551 PolarHBondContact O-N 2.88Å; D551-R555 WeakPolarHBondContact O-CG 3.46Å; D551-R555 VanDerWaalsContact O-CZ 3.31Å; D551-R555 PolarHBondContact O-N 3.1Å; D551-R555 PolarHBondContact O-NH1 3.43Å |
| 552 | I | 85.2 | Confident | 84.3 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.5 | -44.8 | 178.5 | -63.7 | 161.8 | 0 | 0 | 0 | 110.2 | V529 L542 A543 Q548 L549 R554 R555 G556 | V529-I552 HydrophobicContact CB-CG2 3.7Å; V529-I552 HydrophobicContact CG1-CG2 3.78Å; V529-I552 HydrophobicContact CG2-CB 4.46Å; V529-I552 HydrophobicContact CG2-CG2 4.01Å; L542-I552 VanDerWaalsContact O-CD1 3.24Å; L542-I552 WeakPolarHBondContact O-CD1 3.46Å; A543-I552 HydrophobicContact CB-CD1 4.13Å; Q548-I552 WeakPolarHBondContact O-CD1 3.38Å; Q548-I552 VanDerWaalsContact O-CG1 3.24Å; Q548-I552 WeakPolarHBondContact O-CG1 3.03Å; Q548-I552 PolarHBondContact O-N 3.19Å; L549-I552 PolarHBondContact O-N 3.2Å; I552-R554 PolarHBondContact O-N 2.97Å; I552-R555 PolarHBondContact O-N 3.1Å; I552-G556 PolarHBondContact O-N 3.16Å |
| 553 | A | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V513 A516 L549 E550 R555 G556 L557 L563 | V513-A553 HydrophobicContact CG1-CB 4.42Å; V513-A553 HydrophobicContact CG2-CB 4.33Å; A516-A553 HydrophobicContact CB-CB 4.04Å; L549-A553 WeakPolarHBondContact O-CB 3.47Å; L549-A553 PolarHBondContact O-N 2.85Å; E550-A553 PolarHBondContact O-N 2.84Å; A553-R555 PolarHBondContact O-N 3.46Å; A553-G556 PolarHBondContact O-N 2.76Å; A553-L557 VanDerWaalsContact O-CB 3.3Å; A553-L557 WeakPolarHBondContact O-CB 3.41Å; A553-L557 WeakPolarHBondContact O-CG 3.46Å; A553-L557 PolarHBondContact O-N 3.09Å; A553-L563 VanDerWaalsContact CA-CD1 3.48Å; A553-L563 HydrophobicContact CB-CD1 3.85Å |
| 554 | R | 84 | Confident | 84 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.6 | -76 | 177 | -176 | -76.3 | 1.3 | 112 | V513 E550 I552 S558 | V513-R554 HydrophobicContact CG1-CG 4.5Å; V513-R554 HydrophobicContact CG2-CG 3.67Å; E550-R554 WeakPolarHBondContact O-CB 3.46Å; E550-R554 VanDerWaalsContact O-CG 3.24Å; E550-R554 WeakPolarHBondContact O-CG 3.34Å; E550-R554 PolarHBondContact O-N 3.44Å; E550-R554 IonicContact OE1-CZ 3.93Å; E550-R554 IonicContact OE1-NE 3.22Å; E550-R554 PolarHBondContact OE1-NE 3.41Å; E550-R554 IonicContact OE1-NH2 3.86Å; E550-R554 PolarHBondContact OE1-NH2 3.1Å; I552-R554 PolarHBondContact O-N 2.97Å; R554-S558 PolarHBondContact O-N 3.06Å |
| 555 | R | 78.4 | Confident | 83.9 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 42% | 0.419 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -50.1 | 176.2 | -72.7 | -170.5 | -60.1 | -90.9 | -1.7 | 111.4 | D551 I552 A553 L557 S558 | D551-R555 WeakPolarHBondContact O-CG 3.46Å; D551-R555 VanDerWaalsContact O-CZ 3.31Å; D551-R555 PolarHBondContact O-N 3.1Å; D551-R555 PolarHBondContact O-NH1 3.43Å; I552-R555 PolarHBondContact O-N 3.1Å; A553-R555 PolarHBondContact O-N 3.46Å; R555-L557 PolarHBondContact O-N 3.36Å; R555-S558 WeakPolarHBondContact O-CB 2.9Å; R555-S558 PolarHBondContact O-N 2.99Å; R555-S558 VanDerWaalsContact O-N 3.11Å; R555-S558 PolarHBondContact O-OG 3.28Å |
| 556 | G | 81.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G539 I552 A553 S558 V559 S560 | G539-G556 WeakPolarHBondContact O-CA 3.44Å; I552-G556 PolarHBondContact O-N 3.16Å; A553-G556 PolarHBondContact O-N 2.76Å; G556-S558 PolarHBondContact O-N 2.81Å; G556-V559 VanDerWaalsContact O-CG2 3.22Å; G556-V559 WeakPolarHBondContact O-CG2 2.85Å; G556-V559 PolarHBondContact O-N 3.04Å; G556-V559 VanDerWaalsContact O-N 3.13Å; G556-S560 PolarHBondContact O-N 2.86Å |
| 557 | L | 83.7 | Confident | 82.8 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.4 | -14 | 177.2 | -72.3 | 167.9 | 0 | 0 | 0 | 113.8 | V513 A553 R555 V559 S560 L563 | V513-L557 HydrophobicContact CG2-CD1 3.99Å; A553-L557 VanDerWaalsContact O-CB 3.3Å; A553-L557 WeakPolarHBondContact O-CB 3.41Å; A553-L557 WeakPolarHBondContact O-CG 3.46Å; A553-L557 PolarHBondContact O-N 3.09Å; R555-L557 PolarHBondContact O-N 3.36Å; L557-V559 VanDerWaalsContact C-N 3.3Å; L557-S560 CarbonylContact C-O 3.46Å; L557-S560 VanDerWaalsContact C-O 3.31Å; L557-S560 VanDerWaalsContact CA-O 3.23Å; L557-S560 WeakPolarHBondContact CA-O 3.43Å; L557-L563 HydrophobicContact CD1-CD1 4.23Å; L557-L563 HydrophobicContact CD2-CD1 4.23Å; L557-L563 HydrophobicContact CD2-CG 3.83Å; L557-L563 HydrophobicContact CG-CD1 3.66Å; L557-L563 HydrophobicContact CG-CG 3.8Å |
| 558 | S | 74.4 | Confident | 82.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.6 | -20.8 | 172.9 | 80.8 | 0 | 0 | 0 | 0 | 112.4 | R554 R555 G556 K1374 | R554-S558 PolarHBondContact O-N 3.06Å; R555-S558 WeakPolarHBondContact O-CB 2.9Å; R555-S558 PolarHBondContact O-N 2.99Å; R555-S558 VanDerWaalsContact O-N 3.11Å; R555-S558 PolarHBondContact O-OG 3.28Å; G556-S558 PolarHBondContact O-N 2.81Å; S558-K1374 WeakPolarHBondContact O-CE 3.43Å; S558-K1374 PolarHBondContact O-NZ 3.17Å |
| 559 | V | 72.5 | Confident | 81.8 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -116.6 | -24 | -175 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | T534 F538 G556 L557 | T534-V559 HydrophobicContact CG2-CG2 4.44Å; F538-V559 HydrophobicContact CD1-CB 4.3Å; F538-V559 HydrophobicContact CD1-CG1 4.21Å; F538-V559 HydrophobicContact CD1-CG2 4.06Å; F538-V559 HydrophobicContact CE1-CB 4.03Å; F538-V559 HydrophobicContact CE1-CG1 3.46Å; F538-V559 VanDerWaalsContact CE1-CG1 3.46Å; F538-V559 HydrophobicContact CE1-CG2 4.08Å; F538-V559 HydrophobicContact CZ-CG1 4.21Å; G556-V559 VanDerWaalsContact O-CG2 3.22Å; G556-V559 WeakPolarHBondContact O-CG2 2.85Å; G556-V559 PolarHBondContact O-N 3.04Å; G556-V559 VanDerWaalsContact O-N 3.13Å; L557-V559 VanDerWaalsContact C-N 3.3Å |
| 560 | S | 75.7 | Confident | 81.3 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | trans | -122.6 | 149.2 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | A532 G556 L557 Q562 | A532-S560 WeakPolarHBondContact O-CB 3.49Å; A532-S560 PolarHBondContact O-OG 2.92Å; G556-S560 PolarHBondContact O-N 2.86Å; L557-S560 CarbonylContact C-O 3.46Å; L557-S560 VanDerWaalsContact C-O 3.31Å; L557-S560 VanDerWaalsContact CA-O 3.23Å; L557-S560 WeakPolarHBondContact CA-O 3.43Å; S560-Q562 PolarHBondContact O-N 2.94Å; S560-Q562 PolarHBondContact OG-N 3.02Å; S560-Q562 VanDerWaalsContact OG-N 3.12Å; S560-Q562 PolarHBondContact OG-O 2.77Å | ||
| 561 | R | 76.7 | Confident | 80.9 | Confident | 236 Ų | 236 | 45.8 Ų | 45.8 | 89% | 0.891 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -75.6 | -14.8 | 173.2 | -65.5 | -177 | 179.9 | 168.3 | 1.4 | 113.2 | ||
| 562 | Q | 83 | Confident | 81.4 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | trans | -142.3 | 138.5 | -172.7 | -170.4 | -168.1 | 64 | 0 | 0 | 110.5 | A509 A532 S560 | A509-Q562 HydrophobicContact CB-CG 4.3Å; A532-Q562 PolarHBondContact N-O 3Å; S560-Q562 PolarHBondContact O-N 2.94Å; S560-Q562 PolarHBondContact OG-N 3.02Å; S560-Q562 VanDerWaalsContact OG-N 3.12Å; S560-Q562 PolarHBondContact OG-O 2.77Å | ||
| 563 | L | 84.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 151.3 | 167.3 | -59.3 | -179.1 | 0 | 0 | 0 | 110.2 | A509 V510 V529 R530 A531 A553 L557 | A509-L563 CarbonylContact C-O 3.53Å; A509-L563 WeakPolarHBondContact CA-O 3.38Å; V510-L563 HydrophobicContact CG2-CB 3.84Å; V510-L563 PolarHBondContact N-O 3.39Å; V510-L563 PolarHBondContact O-N 2.81Å; V529-L563 HydrophobicContact CG1-CB 4.43Å; V529-L563 HydrophobicContact CG1-CD1 3.92Å; R530-L563 CarbonylContact O-C 3.58Å; R530-L563 VanDerWaalsContact O-CA 3.32Å; R530-L563 WeakPolarHBondContact O-CA 3.32Å; A531-L563 HydrophobicContact CB-CD2 3.67Å; A553-L563 VanDerWaalsContact CA-CD1 3.48Å; A553-L563 HydrophobicContact CB-CD1 3.85Å; L557-L563 HydrophobicContact CD1-CD1 4.23Å; L557-L563 HydrophobicContact CD2-CD1 4.23Å; L557-L563 HydrophobicContact CD2-CG 3.83Å; L557-L563 HydrophobicContact CG-CD1 3.66Å; L557-L563 HydrophobicContact CG-CG 3.8Å |
| 564 | L | 82.7 | Confident | 82 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.8 | 161.2 | -72.9 | -170.8 | 0 | 0 | 0 | 110.3 | R490 C507 R508 A509 V529 R530 | R490-L564 HydrophobicContact CB-CD1 3.18Å; R490-L564 HydrophobicContact CB-CD2 3.99Å; R490-L564 HydrophobicContact CB-CG 3.61Å; R490-L564 HydrophobicContact CG-CD1 3.61Å; R490-L564 HydrophobicContact CG-CG 4.03Å; C507-L564 HydrophobicContact CB-CD1 4.31Å; C507-L564 HydrophobicContact CB-CD2 4.48Å; R508-L564 WeakPolarHBondContact O-CA 3.27Å; A509-L564 HydrophobicContact CB-CD2 3.82Å; V529-L564 WeakPolarHBondContact CA-O 3.38Å; R530-L564 HydrophobicContact CB-CB 4.44Å; R530-L564 PolarHBondContact N-O 2.79Å; R530-L564 PolarHBondContact O-N 3.31Å |
| 565 | I | 87 | Confident | 82.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.9 | 165.8 | -48.5 | -51.3 | 0 | 0 | 0 | 106.8 | C507 R508 V510 A516 A519 A520 L523 V527 V529 L549 | C507-I565 CarbonylContact C-O 3.49Å; C507-I565 WeakPolarHBondContact CA-O 3.49Å; R508-I565 PolarHBondContact N-O 3.1Å; R508-I565 PolarHBondContact O-N 3.38Å; V510-I565 HydrophobicContact CG1-CG1 4.29Å; V510-I565 HydrophobicContact CG2-CD1 4.17Å; V510-I565 HydrophobicContact CG2-CG1 3.86Å; A516-I565 HydrophobicContact CB-CD1 3.93Å; A516-I565 HydrophobicContact CB-CG1 4.03Å; A519-I565 HydrophobicContact CB-CB 3.94Å; A519-I565 HydrophobicContact CB-CG1 4.1Å; A519-I565 HydrophobicContact CB-CG2 4.24Å; A520-I565 HydrophobicContact CB-CG2 4.1Å; L523-I565 HydrophobicContact CD1-CB 4.48Å; L523-I565 HydrophobicContact CD1-CG2 4.1Å; L523-I565 WeakPolarHBondContact CD1-O 3.41Å; V527-I565 HydrophobicContact CB-CG2 3.85Å; V527-I565 HydrophobicContact CG1-CG2 4.11Å; V527-I565 HydrophobicContact CG2-CG2 3.95Å; V529-I565 HydrophobicContact CB-CD1 4.32Å; V529-I565 HydrophobicContact CG1-CD1 3.87Å; V529-I565 HydrophobicContact CG2-CD1 4Å; L549-I565 HydrophobicContact CD1-CD1 3.91Å |
| 566 | G | 80.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 8% | 0.082 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 151.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q506 L528 N568 | Q506-G566 CarbonylContact O-C 3.56Å; Q506-G566 VanDerWaalsContact O-CA 3.31Å; Q506-G566 WeakPolarHBondContact O-CA 3.16Å; L528-G566 PolarHBondContact N-O 3.11Å; L528-G566 PolarHBondContact O-N 2.63Å; G566-N568 PolarHBondContact O-N 3.03Å |
| 567 | L | 81 | Confident | 83.5 | Confident | 71 Ų | 71 | 33.6 Ų | 33.6 | 37% | 0.372 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 134.1 | 161.7 | -167.3 | 98.7 | 0 | 0 | 0 | 108.2 | Q506 L569 | Q506-L567 HydrophobicContact CB-CB 4.4Å; Q506-L567 PolarHBondContact O-N 2.9Å; L567-L569 HydrophobicContact CD2-CD2 4.48Å |
| 568 | N | 74.3 | Confident | 83.8 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 13% | 0.128 | 16% | 0.159 | C | C | . | . | trans | -87.4 | 133.1 | -176.4 | -176.1 | 16.1 | 0 | 0 | 0 | 111.5 | P526 L542 G566 L570 | P526-N568 HydrophobicContact CG-CB 4.44Å; P526-N568 WeakPolarHBondContact CG-ND2 3.07Å; P526-N568 WeakPolarHBondContact O-CB 3.45Å; L542-N568 HydrophobicContact CD1-CB 4.45Å; L542-N568 WeakPolarHBondContact CD1-ND2 3.35Å; G566-N568 PolarHBondContact O-N 3.03Å; N568-L570 WeakPolarHBondContact ND2-CD1 3.4Å; N568-L570 WeakPolarHBondContact ND2-CG 3.45Å; N568-L570 WeakPolarHBondContact OD1-CG 3.37Å; N568-L570 PolarHBondContact OD1-N 2.97Å; N568-L570 VanDerWaalsContact OD1-N 3.11Å | ||
| 569 | L | 82.8 | Confident | 84.6 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | trans | -104.2 | 27.2 | 179.2 | -57.7 | 174.8 | 0 | 0 | 0 | 111.6 | A505 L567 G571 W572 V597 A643 R652 | A505-L569 HydrophobicContact CB-CD1 3.99Å; L567-L569 HydrophobicContact CD2-CD2 4.48Å; L569-G571 PolarHBondContact O-N 2.95Å; L569-W572 HydrophobicContact CB-CB 4.4Å; L569-W572 HydrophobicContact CB-CD2 4.39Å; L569-W572 HydrophobicContact CB-CG 4.11Å; L569-W572 HydrophobicContact CD2-CD2 4.26Å; L569-W572 HydrophobicContact CD2-CZ2 4.24Å; L569-W572 VanDerWaalsContact O-CB 3.24Å; L569-W572 WeakPolarHBondContact O-CB 3.24Å; L569-W572 PolarHBondContact O-N 3.44Å; L569-W572 VanDerWaalsContact O-N 3.08Å; L569-V597 HydrophobicContact CB-CG1 4.09Å; L569-V597 WeakPolarHBondContact O-CB 3.47Å; L569-A643 HydrophobicContact CB-CB 4.37Å; L569-A643 HydrophobicContact CD1-CB 3.59Å; L569-R652 HydrophobicContact CD1-CB 3.88Å; L569-R652 HydrophobicContact CD1-CG 4.15Å; L569-R652 HydrophobicContact CD2-CG 4.46Å | ||
| 570 | L | 81.7 | Confident | 85.4 | Confident | 79 Ų | 79 | 28.5 Ų | 28.5 | 41% | 0.414 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 135.9 | 177.8 | -89.5 | 178.2 | 0 | 0 | 0 | 111.5 | L542 N568 W572 V597 | L542-L570 HydrophobicContact CD2-CD1 3.72Å; L542-L570 HydrophobicContact CD2-CD2 4.46Å; L542-L570 HydrophobicContact CD2-CG 4.38Å; N568-L570 WeakPolarHBondContact ND2-CD1 3.4Å; N568-L570 WeakPolarHBondContact ND2-CG 3.45Å; N568-L570 WeakPolarHBondContact OD1-CG 3.37Å; N568-L570 PolarHBondContact OD1-N 2.97Å; N568-L570 VanDerWaalsContact OD1-N 3.11Å; L570-W572 VanDerWaalsContact C-N 3.26Å; L570-W572 PolarHBondContact O-N 3.38Å; L570-V597 WeakPolarHBondContact CD2-O 3.37Å |
| 571 | G | 79.9 | Confident | 86.1 | Confident | 28 Ų | 28 | 28.9 Ų | 28.9 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -5.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L569 | L569-G571 PolarHBondContact O-N 2.95Š|
| 572 | W | 92.1 | Very high | 86.6 | Confident | 38 Ų | 38 | 17.7 Ų | 17.7 | 14% | 0.144 | 10% | 0.095 | C | C | . | . | trans | -74.7 | 151.7 | 171.6 | -68.8 | 45 | 0 | 0 | 0 | 110.2 | L569 L570 P596 V597 A643 V644 N645 E650 R652 | L569-W572 HydrophobicContact CB-CB 4.4Å; L569-W572 HydrophobicContact CB-CD2 4.39Å; L569-W572 HydrophobicContact CB-CG 4.11Å; L569-W572 HydrophobicContact CD2-CD2 4.26Å; L569-W572 HydrophobicContact CD2-CZ2 4.24Å; L569-W572 VanDerWaalsContact O-CB 3.24Å; L569-W572 WeakPolarHBondContact O-CB 3.24Å; L569-W572 PolarHBondContact O-N 3.44Å; L569-W572 VanDerWaalsContact O-N 3.08Å; L570-W572 VanDerWaalsContact C-N 3.26Å; L570-W572 PolarHBondContact O-N 3.38Å; W572-P596 CarbonylContact O-C 3.5Å; W572-P596 VanDerWaalsContact O-CA 3.31Å; W572-P596 WeakPolarHBondContact O-CA 3.39Å; W572-P596 WeakPolarHBondContact O-CB 3.29Å; W572-V597 HydrophobicContact CB-CB 4.49Å; W572-V597 HydrophobicContact CB-CG2 4.14Å; W572-V597 WeakPolarHBondContact O-CG2 3.27Å; W572-V597 PolarHBondContact O-N 3.42Å; W572-A643 HydrophobicContact CB-CB 4.21Å; W572-A643 HydrophobicContact CE3-CB 4.07Å; W572-V644 WeakPolarHBondContact CB-O 3.46Å; W572-V644 VanDerWaalsContact CE3-C 3.44Å; W572-N645 HydrophobicContact CD2-CB 4.01Å; W572-N645 HydrophobicContact CE3-CB 3.81Å; W572-N645 HydrophobicContact CH2-CB 3.67Å; W572-N645 HydrophobicContact CZ2-CB 3.86Å; W572-N645 WeakPolarHBondContact CZ2-ND2 3.4Å; W572-N645 HydrophobicContact CZ3-CB 3.64Å; W572-E650 HydrophobicContact CH2-CB 4.34Å; W572-E650 HydrophobicContact CH2-CG 3.89Å; W572-E650 HydrophobicContact CZ3-CG 4.27Å; W572-E650 WeakPolarHBondContact CZ3-O 3.08Å; W572-R652 HydrophobicContact CZ3-CG 4.35Å | ||
| 573 | K | 93.1 | Very high | 86.4 | Confident | 19 Ų | 19 | 17.3 Ų | 17.3 | 8% | 0.083 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.8 | 172.6 | -55.8 | -176.9 | 176.2 | -164.4 | 0 | 109.2 | T612 A643 V644 P646 D813 | K573-T612 PolarHBondContact NZ-OG1 3.01Å; K573-A643 CarbonylContact O-C 3.59Å; K573-A643 VanDerWaalsContact O-CA 3.26Å; K573-A643 WeakPolarHBondContact O-CA 3.47Å; K573-V644 HydrophobicContact CB-CB 4.28Å; K573-V644 PolarHBondContact N-O 3.15Å; K573-V644 PolarHBondContact O-N 3.4Å; K573-P646 HydrophobicContact CG-CB 4.38Å; K573-D813 WeakPolarHBondContact CE-OD2 3.21Å; K573-D813 IonicContact NZ-OD2 3.31Å; K573-D813 PolarHBondContact NZ-OD2 3.46Å |
| 574 | E | 93.5 | Very high | 85.9 | Confident | 10 Ų | 10 | 18.8 Ų | 18.8 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.4 | 177.5 | -168.4 | 170.2 | -145.1 | 0 | 0 | 109.8 | N593 V597 F642 I654 | E574-N593 HydrophobicContact CB-CB 4.07Å; E574-N593 PolarHBondContact O-N 3.28Å; E574-N593 PolarHBondContact OE2-ND2 2.78Å; E574-V597 HydrophobicContact CB-CG2 3.72Å; E574-V597 HydrophobicContact CG-CG2 4.13Å; E574-F642 WeakPolarHBondContact CA-O 3.34Å; E574-I654 HydrophobicContact CG-CD1 4.01Å |
| 575 | I | 93.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.9 | -173.6 | -49.2 | -62.1 | 0 | 0 | 0 | 108.8 | Y577 M591 E592 L613 L621 F642 V644 | I575-Y577 HydrophobicContact CG2-CD2 4.03Å; I575-Y577 HydrophobicContact CG2-CE2 3.55Å; I575-M591 WeakPolarHBondContact CG2-O 3.34Å; I575-E592 HydrophobicContact CD1-CB 3.8Å; I575-E592 HydrophobicContact CD1-CG 3.63Å; I575-L613 HydrophobicContact CD1-CD1 4.04Å; I575-L613 HydrophobicContact CD1-CD2 3.92Å; I575-L613 HydrophobicContact CD1-CG 4.12Å; I575-L613 HydrophobicContact CG1-CD1 4.2Å; I575-L613 HydrophobicContact CG1-CD2 4.15Å; I575-L613 HydrophobicContact CG2-CD1 3.92Å; I575-L621 HydrophobicContact CG1-CD1 4.41Å; I575-L621 HydrophobicContact CG2-CD1 4.38Å; I575-F642 HydrophobicContact CB-CB 4.48Å; I575-F642 PolarHBondContact N-O 3.02Å; I575-F642 PolarHBondContact O-N 3.18Å; I575-V644 HydrophobicContact CG1-CG2 3.86Å |
| 576 | E | 90.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | -177.5 | -58.3 | -173 | -153 | 0 | 0 | 109.9 | N590 M591 N593 T601 N639 Q641 S663 | E576-N590 CarbonylContact O-C 3.56Å; E576-N590 VanDerWaalsContact O-CA 3.25Å; E576-N590 WeakPolarHBondContact O-CA 3.23Å; E576-M591 HydrophobicContact CB-CB 4.5Å; E576-M591 HydrophobicContact CB-CE 4.44Å; E576-M591 PolarHBondContact N-O 3.05Å; E576-M591 PolarHBondContact O-N 3.25Å; E576-N593 PolarHBondContact OE1-OD1 3.15Å; E576-T601 WeakPolarHBondContact OE1-CB 3.29Å; E576-T601 WeakPolarHBondContact OE1-CG2 3.27Å; E576-N639 PolarHBondContact OE2-ND2 3.43Å; E576-Q641 HydrophobicContact CG-CG 4.22Å; E576-S663 WeakPolarHBondContact OE2-CB 3.44Å; E576-S663 PolarHBondContact OE2-OG 3.26Å |
| 577 | Y | 91.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.7 | 172.6 | -79.6 | -107.6 | 0 | 0 | 0 | 109.8 | I575 C589 N590 Y618 L621 R622 A625 N639 V640 F642 | I575-Y577 HydrophobicContact CG2-CD2 4.03Å; I575-Y577 HydrophobicContact CG2-CE2 3.55Å; Y577-C589 CarbonylContact C-O 3.51Å; Y577-C589 VanDerWaalsContact CA-O 3.23Å; Y577-C589 WeakPolarHBondContact CA-O 3.44Å; Y577-C589 WeakPolarHBondContact CB-O 3.45Å; Y577-C589 WeakPolarHBondContact CD1-O 3.22Å; Y577-N590 HydrophobicContact CD1-CB 3.47Å; Y577-N590 VanDerWaalsContact CD1-CB 3.47Å; Y577-N590 HydrophobicContact CD2-CB 3.8Å; Y577-N590 HydrophobicContact CE1-CB 3.34Å; Y577-N590 HydrophobicContact CE2-CB 3.69Å; Y577-N590 HydrophobicContact CG-CB 3.69Å; Y577-N590 VanDerWaalsContact CZ-CB 3.44Å; Y577-N590 PolarHBondContact OH-ND2 2.87Å; Y577-Y618 PolarHBondContact OH-O 3.41Å; Y577-L621 HydrophobicContact CD2-CB 4.49Å; Y577-L621 HydrophobicContact CE2-CB 3.56Å; Y577-L621 HydrophobicContact CE2-CD1 4.28Å; Y577-R622 HydrophobicContact CD1-CB 4.44Å; Y577-R622 VanDerWaalsContact CE1-CA 3.45Å; Y577-R622 HydrophobicContact CE1-CB 3.68Å; Y577-R622 HydrophobicContact CE1-CG 4.35Å; Y577-A625 HydrophobicContact CD1-CB 4.27Å; Y577-A625 HydrophobicContact CG-CB 4.13Å; Y577-N639 CarbonylContact O-C 3.59Å; Y577-N639 WeakPolarHBondContact O-CA 3.32Å; Y577-V640 PolarHBondContact N-O 3.09Å; Y577-V640 PolarHBondContact O-N 3.17Å; Y577-F642 AromaticContact CD2-CD2 3.72Å; Y577-F642 HydrophobicContact CD2-CD2 3.72Å; Y577-F642 AromaticContact CD2-CE2 3.63Å; Y577-F642 HydrophobicContact CD2-CE2 3.63Å; Y577-F642 HydrophobicContact CE2-CD2 4.17Å; Y577-F642 HydrophobicContact CE2-CE2 4.23Å; Y577-F642 HydrophobicContact CG-CE2 4.18Å |
| 578 | E | 89.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 102.4 | 177.2 | -65.9 | -68.9 | 175.4 | 0 | 0 | 108.5 | I588 C589 M591 N639 S663 S664 A667 L675 | E578-I588 CarbonylContact C-O 3.32Å; E578-I588 CarbonylContact O-C 3.58Å; E578-C589 PolarHBondContact N-O 2.95Å; E578-M591 HydrophobicContact CG-CE 3.63Å; E578-N639 PolarHBondContact OE1-ND2 2.9Å; E578-N639 WeakPolarHBondContact OE2-CB 3.5Å; E578-S663 WeakPolarHBondContact OE1-CB 3.43Å; E578-S664 PolarHBondContact OE1-N 3.39Å; E578-S664 PolarHBondContact OE2-OG 2.77Å; E578-A667 HydrophobicContact CB-CB 4.29Å; E578-A667 HydrophobicContact CG-CB 3.71Å; E578-L675 HydrophobicContact CB-CD1 4.49Å |
| 579 | V | 90.3 | Very high | 82.5 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.6 | -169.2 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | C587 I588 A625 V629 E637 C638 V640 | V579-C587 HydrophobicContact CG1-CB 4.04Å; V579-I588 VanDerWaalsContact CA-O 3.26Å; V579-I588 WeakPolarHBondContact CA-O 3.41Å; V579-A625 HydrophobicContact CG2-CB 4.01Å; V579-V629 HydrophobicContact CB-CG2 3.97Å; V579-V629 HydrophobicContact CG1-CB 4.21Å; V579-V629 HydrophobicContact CG1-CG1 4.03Å; V579-V629 HydrophobicContact CG1-CG2 3.97Å; V579-V629 HydrophobicContact CG2-CG2 4.17Å; V579-E637 CarbonylContact O-C 3.44Å; V579-E637 WeakPolarHBondContact O-CA 3.46Å; V579-C638 PolarHBondContact N-O 3.47Å; V579-C638 PolarHBondContact O-N 2.85Å; V579-V640 HydrophobicContact CG2-CG2 4.22Å |
| 580 | V | 90.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.4 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | C587 I588 G636 E637 Y673 L675 V678 L682 M688 | V580-C587 WeakPolarHBondContact O-CA 3.12Å; V580-I588 HydrophobicContact CB-CD1 4.37Å; V580-G636 CarbonylContact C-O 3.54Å; V580-G636 WeakPolarHBondContact CA-O 3.39Å; V580-G636 WeakPolarHBondContact CG1-O 3.33Å; V580-E637 HydrophobicContact CG2-CB 4.27Å; V580-E637 HydrophobicContact CG2-CG 4.14Å; V580-Y673 HydrophobicContact CG2-CE1 4.49Å; V580-L675 HydrophobicContact CG2-CD2 3.26Å; V580-V678 HydrophobicContact CG1-CG1 3.97Å; V580-L682 HydrophobicContact CG1-CD1 3.37Å; V580-M688 HydrophobicContact CB-CE 4.27Å; V580-M688 HydrophobicContact CG1-CE 3.77Å |
| 581 | R | 90.8 | Very high | 82.8 | Confident | 20 Ų | 20 | 12.6 Ų | 12.6 | 8% | 0.075 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.7 | 176.2 | 179.6 | 177 | 167.6 | -78.1 | -1 | 112.6 | D585 N586 V629 I634 V635 G636 | R581-D585 IonicContact CZ-OD1 3.82Å; R581-D585 IonicContact NE-OD1 3.6Å; R581-D585 PolarHBondContact NE-OD1 2.84Å; R581-D585 IonicContact NH2-OD1 2.73Å; R581-D585 PolarHBondContact NH2-OD1 3.46Å; R581-D585 IonicContact NH2-OD2 3.51Å; R581-N586 VanDerWaalsContact CA-O 3.23Å; R581-N586 WeakPolarHBondContact CA-O 3.25Å; R581-V629 HydrophobicContact CB-CG1 3.87Å; R581-I634 WeakPolarHBondContact CD-O 3.4Å; R581-I634 WeakPolarHBondContact CG-O 3.35Å; R581-I634 PolarHBondContact NH1-O 2.77Å; R581-V635 WeakPolarHBondContact O-CA 3.4Å; R581-G636 PolarHBondContact N-O 2.95Å; R581-G636 PolarHBondContact O-N 3.3Å |
| 582 | D | 86.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -94.7 | 175.7 | 171.6 | 72.8 | 3.4 | 0 | 0 | 0 | 112.9 | Y584 D585 N586 L682 M688 | D582-Y584 PolarHBondContact O-N 3.18Å; D582-Y584 VanDerWaalsContact O-N 3.15Å; D582-Y584 WeakPolarHBondContact OD1-CA 3.24Å; D582-Y584 PolarHBondContact OD1-N 3.33Å; D582-D585 PolarHBondContact O-N 2.86Å; D582-D585 PolarHBondContact OD1-N 3.18Å; D582-N586 PolarHBondContact N-O 2.83Å; D582-N586 WeakPolarHBondContact OD1-CB 3.48Å; D582-N586 PolarHBondContact OD1-N 3.41Å; D582-N586 PolarHBondContact OD1-ND2 3.41Å; D582-N586 PolarHBondContact OD2-ND2 3.13Å; D582-L682 HydrophobicContact CB-CD1 4.03Å; D582-L682 HydrophobicContact CB-CD2 3.61Å; D582-L682 HydrophobicContact CB-CG 4.23Å; D582-M688 HydrophobicContact CB-CB 4.27Å; D582-M688 HydrophobicContact CB-CE 4.4Å; D582-M688 WeakPolarHBondContact OD2-CB 3.27Å; D582-M688 PolarHBondContact OD2-N 2.84Å | ||
| 583 | V | 79 | Confident | 83.5 | Confident | 38 Ų | 38 | 9.7 Ų | 9.7 | 23% | 0.23 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -9.7 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | V635 | V583-V635 HydrophobicContact CG1-CG1 3.69Å; V583-V635 HydrophobicContact CG1-CG2 4.08Å |
| 584 | Y | 74.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 9 Ų | 9 | 12% | 0.122 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 17.3 | 178.7 | -53.5 | -80.6 | 0 | 0 | 0 | 112.2 | N289 R290 C376 D582 P687 | N289-Y584 HydrophobicContact CB-CD1 3.78Å; N289-Y584 HydrophobicContact CB-CD2 4.25Å; N289-Y584 HydrophobicContact CB-CE1 4.01Å; N289-Y584 HydrophobicContact CB-CE2 4.48Å; N289-Y584 HydrophobicContact CB-CG 3.89Å; R290-Y584 WeakPolarHBondContact CD-O 3.26Å; R290-Y584 PolarHBondContact NH1-O 3.47Å; C376-Y584 HydrophobicContact CB-CD1 4.21Å; C376-Y584 HydrophobicContact CB-CE1 4.43Å; D582-Y584 PolarHBondContact O-N 3.18Å; D582-Y584 VanDerWaalsContact O-N 3.15Å; D582-Y584 WeakPolarHBondContact OD1-CA 3.24Å; D582-Y584 PolarHBondContact OD1-N 3.33Å; Y584-P687 HydrophobicContact CD2-CB 3.68Å; Y584-P687 HydrophobicContact CD2-CG 3.97Å; Y584-P687 HydrophobicContact CE2-CB 3.68Å; Y584-P687 HydrophobicContact CE2-CG 3.41Å; Y584-P687 VanDerWaalsContact CE2-CG 3.41Å |
| 585 | D | 74.3 | Confident | 83.6 | Confident | 52 Ų | 52 | 8.9 Ų | 8.9 | 28% | 0.278 | 5% | 0.046 | S | C | . | . | trans | 71.4 | 24.4 | 172.3 | -84.9 | -53.4 | 0 | 0 | 0 | 117.6 | R290 R581 D582 R630 | R290-D585 PolarHBondContact NH1-O 3.41Å; R581-D585 IonicContact CZ-OD1 3.82Å; R581-D585 IonicContact NE-OD1 3.6Å; R581-D585 PolarHBondContact NE-OD1 2.84Å; R581-D585 IonicContact NH2-OD1 2.73Å; R581-D585 PolarHBondContact NH2-OD1 3.46Å; R581-D585 IonicContact NH2-OD2 3.51Å; D582-D585 PolarHBondContact O-N 2.86Å; D582-D585 PolarHBondContact OD1-N 3.18Å; D585-R630 PolarHBondContact O-NH2 2.98Å; D585-R630 WeakPolarHBondContact OD1-CG 3.48Å; D585-R630 IonicContact OD1-NE 3.7Å | ||
| 586 | N | 78 | Confident | 83.5 | Confident | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | trans | -89 | 134.6 | 177.9 | -55.6 | -44.8 | 0 | 0 | 0 | 111.7 | N289 C291 R581 D582 M688 | N289-N586 PolarHBondContact O-ND2 3.48Å; C291-N586 PolarHBondContact N-OD1 3.24Å; C291-N586 PolarHBondContact O-OD1 3.2Å; R581-N586 VanDerWaalsContact CA-O 3.23Å; R581-N586 WeakPolarHBondContact CA-O 3.25Å; D582-N586 PolarHBondContact N-O 2.83Å; D582-N586 WeakPolarHBondContact OD1-CB 3.48Å; D582-N586 PolarHBondContact OD1-N 3.41Å; D582-N586 PolarHBondContact OD1-ND2 3.41Å; D582-N586 PolarHBondContact OD2-ND2 3.13Å; N586-M688 HydrophobicContact CB-CB 4.45Å; N586-M688 HydrophobicContact CB-CE 4.24Å; N586-M688 VanDerWaalsContact O-CE 3.29Å; N586-M688 WeakPolarHBondContact O-CE 3.42Å | ||
| 587 | C | 63.2 | Low | 83.5 | Confident | 4 Ų | 4 | 9.8 Ų | 9.8 | 3% | 0.027 | 5% | 0.052 | C | C | . | . | trans | -139.9 | 165 | -166.6 | -65.8 | 0 | 0 | 0 | 0 | 120.1 | V579 V580 I626 | V579-C587 HydrophobicContact CG1-CB 4.04Å; V580-C587 WeakPolarHBondContact O-CA 3.12Å; C587-I626 HydrophobicContact CB-CD1 4.2Å; C587-I626 HydrophobicContact CB-CG1 3.81Å; C587-I626 HydrophobicContact CB-CG2 4.17Å | ||
| 588 | I | 57.2 | Low | 83 | Confident | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | trans | -152 | 158.6 | -169.2 | -63.6 | 171.4 | 0 | 0 | 0 | 121.4 | E578 V579 V580 Y673 M688 F703 E704 | E578-I588 CarbonylContact C-O 3.32Å; E578-I588 CarbonylContact O-C 3.58Å; V579-I588 VanDerWaalsContact CA-O 3.26Å; V579-I588 WeakPolarHBondContact CA-O 3.41Å; V580-I588 HydrophobicContact CB-CD1 4.37Å; I588-Y673 HydrophobicContact CD1-CE1 4.48Å; I588-Y673 HydrophobicContact CD1-CE2 4.17Å; I588-Y673 WeakPolarHBondContact CD1-OH 3.43Å; I588-M688 HydrophobicContact CD1-SD 3.78Å; I588-F703 WeakPolarHBondContact CD1-O 3.48Å; I588-F703 WeakPolarHBondContact CG1-O 3.38Å; I588-E704 HydrophobicContact CB-CG 4.41Å; I588-E704 HydrophobicContact CG1-CG 4.46Å; I588-E704 HydrophobicContact CG2-CB 4.48Å; I588-E704 HydrophobicContact CG2-CG 4.3Å | ||
| 589 | C | 61.3 | Low | 82.9 | Confident | 10 Ų | 10 | 11.1 Ų | 11.1 | 7% | 0.068 | 6% | 0.064 | C | C | . | . | trans | 53.5 | 160.3 | 147.1 | -152.7 | 0 | 0 | 0 | 0 | 130.3 | Y577 E578 | Y577-C589 CarbonylContact C-O 3.51Å; Y577-C589 VanDerWaalsContact CA-O 3.23Å; Y577-C589 WeakPolarHBondContact CA-O 3.44Å; Y577-C589 WeakPolarHBondContact CB-O 3.45Å; Y577-C589 WeakPolarHBondContact CD1-O 3.22Å; E578-C589 PolarHBondContact N-O 2.95Å | ||
| 590 | N | 82.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.011 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 169.1 | -180 | 91.9 | -35.7 | 0 | 0 | 0 | 122.4 | E576 Y577 S610 Y618 | E576-N590 CarbonylContact O-C 3.56Å; E576-N590 VanDerWaalsContact O-CA 3.25Å; E576-N590 WeakPolarHBondContact O-CA 3.23Å; Y577-N590 HydrophobicContact CD1-CB 3.47Å; Y577-N590 VanDerWaalsContact CD1-CB 3.47Å; Y577-N590 HydrophobicContact CD2-CB 3.8Å; Y577-N590 HydrophobicContact CE1-CB 3.34Å; Y577-N590 HydrophobicContact CE2-CB 3.69Å; Y577-N590 HydrophobicContact CG-CB 3.69Å; Y577-N590 VanDerWaalsContact CZ-CB 3.44Å; Y577-N590 PolarHBondContact OH-ND2 2.87Å; N590-S610 PolarHBondContact ND2-OG 3.13Å; N590-Y618 VanDerWaalsContact CG-CE2 3.5Å; N590-Y618 WeakPolarHBondContact ND2-CE2 3.4Å; N590-Y618 WeakPolarHBondContact OD1-CE2 3.41Å; N590-Y618 PolarHBondContact OD1-OH 2.89Å |
| 591 | M | 88.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 162.9 | 177.3 | -64.9 | -179.2 | -72.4 | 0 | 0 | 113.1 | I575 E576 E578 V606 A608 S610 L666 A667 | I575-M591 WeakPolarHBondContact CG2-O 3.34Å; E576-M591 HydrophobicContact CB-CB 4.5Å; E576-M591 HydrophobicContact CB-CE 4.44Å; E576-M591 PolarHBondContact N-O 3.05Å; E576-M591 PolarHBondContact O-N 3.25Å; E578-M591 HydrophobicContact CG-CE 3.63Å; M591-V606 HydrophobicContact CB-CG1 4.21Å; M591-V606 HydrophobicContact SD-CG1 4.49Å; M591-A608 HydrophobicContact CG-CB 3.94Å; M591-S610 PolarHBondContact O-OG 3.19Å; M591-L666 HydrophobicContact SD-CD2 4.03Å; M591-L666 HydrophobicContact SD-CG 4.37Å; M591-A667 HydrophobicContact CE-CB 3.88Å; M591-A667 HydrophobicContact SD-CB 4Å |
| 592 | E | 93 | Very high | 82.2 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.1 | 178.8 | 172.3 | 174.3 | -173 | 0 | 0 | 113.9 | I575 V606 V607 S610 Q611 T612 F816 | I575-E592 HydrophobicContact CD1-CB 3.8Å; I575-E592 HydrophobicContact CD1-CG 3.63Å; E592-V606 WeakPolarHBondContact O-CA 3.26Å; E592-V606 WeakPolarHBondContact O-CG1 3.33Å; E592-V607 HydrophobicContact CB-CG1 4.01Å; E592-V607 HydrophobicContact CG-CG1 4.38Å; E592-V607 PolarHBondContact N-O 3.33Å; E592-V607 WeakPolarHBondContact O-CG1 3.42Å; E592-V607 PolarHBondContact O-N 3.47Å; E592-S610 WeakPolarHBondContact CB-OG 3.17Å; E592-S610 WeakPolarHBondContact OE2-CA 3.22Å; E592-S610 WeakPolarHBondContact OE2-CB 3.44Å; E592-Q611 PolarHBondContact OE2-N 2.75Å; E592-T612 WeakPolarHBondContact OE1-CB 3.4Å; E592-T612 WeakPolarHBondContact OE1-CG2 3.24Å; E592-T612 PolarHBondContact OE1-OG1 2.74Å; E592-T612 PolarHBondContact OE2-N 3.18Å; E592-F816 HydrophobicContact CG-CE2 4.45Å; E592-F816 HydrophobicContact CG-CZ 4.18Å |
| 593 | N | 94.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.7 | 172.4 | -64.3 | -2.3 | 0 | 0 | 0 | 110.5 | E574 E576 D595 V606 | E574-N593 HydrophobicContact CB-CB 4.07Å; E574-N593 PolarHBondContact O-N 3.28Å; E574-N593 PolarHBondContact OE2-ND2 2.78Å; E576-N593 PolarHBondContact OE1-OD1 3.15Å; N593-D595 VanDerWaalsContact C-N 3.31Å; N593-D595 WeakPolarHBondContact CB-O 3.48Å; N593-V606 VanDerWaalsContact OD1-CG2 3.3Å; N593-V606 WeakPolarHBondContact OD1-CG2 3.38Å |
| 594 | V | 94.9 | Very high | 83 | Confident | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.024 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -66.8 | -39.3 | 172 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | V605 M790 I812 F816 | V594-V605 HydrophobicContact CB-CB 4.01Å; V594-V605 HydrophobicContact CB-CG1 4.17Å; V594-V605 WeakPolarHBondContact CB-O 3.49Å; V594-V605 HydrophobicContact CG2-CB 4.08Å; V594-V605 HydrophobicContact CG2-CG1 3.69Å; V594-V605 PolarHBondContact N-O 3.16Å; V594-M790 HydrophobicContact CG1-CE 4.14Å; V594-I812 HydrophobicContact CG1-CG2 3.92Å; V594-I812 WeakPolarHBondContact O-CG2 3.12Å; V594-F816 HydrophobicContact CB-CD2 4.41Å; V594-F816 HydrophobicContact CB-CE2 4.5Å; V594-F816 HydrophobicContact CB-CG 4.45Å; V594-F816 HydrophobicContact CG1-CB 4.07Å; V594-F816 HydrophobicContact CG1-CD1 4.24Å; V594-F816 HydrophobicContact CG1-CD2 4.07Å; V594-F816 HydrophobicContact CG1-CG 3.87Å; V594-F816 HydrophobicContact CG2-CD1 3.86Å; V594-F816 HydrophobicContact CG2-CE1 3.75Å; V594-F816 HydrophobicContact CG2-CE2 4.41Å; V594-F816 HydrophobicContact CG2-CG 4.27Å; V594-F816 HydrophobicContact CG2-CZ 4.05Å |
| 595 | D | 93.6 | Very high | 84 | Confident | 9 Ų | 9 | 9.9 Ų | 9.9 | 5% | 0.048 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -78.2 | 140.8 | 174.4 | -74.5 | -69.5 | 0 | 0 | 0 | 110.8 | N593 I599 V605 R789 | N593-D595 VanDerWaalsContact C-N 3.31Å; N593-D595 WeakPolarHBondContact CB-O 3.48Å; D595-I599 HydrophobicContact CB-CD1 3.47Å; D595-I599 VanDerWaalsContact CB-CD1 3.47Å; D595-I599 WeakPolarHBondContact OD1-CD1 3.38Å; D595-V605 PolarHBondContact OD2-N 3.4Å; D595-R789 IonicContact OD1-CZ 3.35Å; D595-R789 IonicContact OD1-NH1 2.9Å; D595-R789 PolarHBondContact OD1-NH1 3.45Å |
| 596 | P | 91.2 | Very high | 85 | Confident | 13 Ų | 13 | 7.6 Ų | 7.6 | 8% | 0.084 | 5% | 0.049 | C | C | . | . | P | Polyproline II helix | trans | -72 | 166 | 176.2 | 32 | -37.4 | 0 | 0 | 0 | 112.2 | W572 G598 | W572-P596 CarbonylContact O-C 3.5Å; W572-P596 VanDerWaalsContact O-CA 3.31Å; W572-P596 WeakPolarHBondContact O-CA 3.39Å; W572-P596 WeakPolarHBondContact O-CB 3.29Å; P596-G598 PolarHBondContact O-N 3.28Å |
| 597 | V | 89.5 | Confident | 85.7 | Confident | 7 Ų | 7 | 7.6 Ų | 7.6 | 4% | 0.042 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 134.5 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | L569 L570 W572 E574 A643 I654 | L569-V597 HydrophobicContact CB-CG1 4.09Å; L569-V597 WeakPolarHBondContact O-CB 3.47Å; L570-V597 WeakPolarHBondContact CD2-O 3.37Å; W572-V597 HydrophobicContact CB-CB 4.49Å; W572-V597 HydrophobicContact CB-CG2 4.14Å; W572-V597 WeakPolarHBondContact O-CG2 3.27Å; W572-V597 PolarHBondContact O-N 3.42Å; E574-V597 HydrophobicContact CB-CG2 3.72Å; E574-V597 HydrophobicContact CG-CG2 4.13Å; V597-A643 HydrophobicContact CG2-CB 3.85Å; V597-I654 HydrophobicContact CG2-CD1 4.14Å |
| 598 | G | 81.4 | Confident | 87 | Confident | 23 Ų | 23 | 7.6 Ų | 7.6 | 24% | 0.237 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 128.4 | -17.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P596 G730 S731 | P596-G598 PolarHBondContact O-N 3.28Å; G598-G730 CarbonylContact O-C 3.44Å; G598-S731 PolarHBondContact O-N 2.83Å |
| 599 | I | 86.8 | Confident | 88.4 | Confident | 7 Ų | 7 | 7.5 Ų | 7.5 | 4% | 0.036 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -102.6 | 139.1 | 169.8 | -65.2 | 152.6 | 0 | 0 | 0 | 107.7 | D595 T601 E603 S604 I729 P785 | D595-I599 HydrophobicContact CB-CD1 3.47Å; D595-I599 VanDerWaalsContact CB-CD1 3.47Å; D595-I599 WeakPolarHBondContact OD1-CD1 3.38Å; I599-T601 PolarHBondContact O-N 2.87Å; I599-E603 HydrophobicContact CG2-CB 3.56Å; I599-S604 WeakPolarHBondContact CG2-OG 3.3Å; I599-I729 HydrophobicContact CG2-CG2 3.73Å; I599-P785 HydrophobicContact CD1-CB 3.68Å; I599-P785 HydrophobicContact CD1-CG 3.45Å; I599-P785 VanDerWaalsContact CD1-CG 3.45Å; I599-P785 HydrophobicContact CG1-CB 3.93Å; I599-P785 HydrophobicContact CG1-CG 3.72Å |
| 600 | H | 87.1 | Confident | 89.8 | Confident | 39 Ų | 39 | 7.6 Ų | 7.6 | 18% | 0.181 | 5% | 0.05 | C | C | . | . | trans | -62.3 | 136.4 | 174.2 | -172.9 | -46 | 0 | 0 | 0 | 109 | G602 E603 S604 G730 M733 | H600-G602 VanDerWaalsContact C-N 3.29Å; H600-G602 PolarHBondContact ND1-N 2.81Å; H600-G602 VanDerWaalsContact ND1-N 3.18Å; H600-G602 PolarHBondContact O-N 2.86Å; H600-G602 VanDerWaalsContact O-N 3.14Å; H600-E603 HydrophobicContact CB-CB 4.47Å; H600-E603 HydrophobicContact CB-CG 3.98Å; H600-E603 CarbonylContact O-C 3.58Å; H600-E603 VanDerWaalsContact O-CA 3.3Å; H600-E603 WeakPolarHBondContact O-CA 3.46Å; H600-E603 VanDerWaalsContact O-CB 3.24Å; H600-E603 WeakPolarHBondContact O-CB 3.27Å; H600-E603 PolarHBondContact O-N 3.42Å; H600-S604 PolarHBondContact O-N 3.31Å; H600-S604 PolarHBondContact O-OG 2.8Å; H600-G730 PolarHBondContact N-O 2.83Å; H600-M733 WeakPolarHBondContact CE1-CE 3.43Å | ||
| 601 | T | 84.7 | Confident | 90.1 | Very high | 11 Ų | 11 | 7.6 Ų | 7.6 | 7% | 0.067 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -46 | -44.7 | 178.5 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | E576 I599 E603 S604 K713 | E576-T601 WeakPolarHBondContact OE1-CB 3.29Å; E576-T601 WeakPolarHBondContact OE1-CG2 3.27Å; I599-T601 PolarHBondContact O-N 2.87Å; T601-E603 PolarHBondContact O-N 3.31Å; T601-E603 VanDerWaalsContact O-N 3.17Å; T601-S604 PolarHBondContact O-N 3.15Å; T601-S604 VanDerWaalsContact O-N 3.12Å; T601-K713 PolarHBondContact O-NZ 3.19Å |
| 602 | G | 85.7 | Confident | 90.2 | Very high | 8 Ų | 8 | 7.7 Ų | 7.7 | 8% | 0.082 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -64.2 | -10.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | H600 S735 | H600-G602 VanDerWaalsContact C-N 3.29Å; H600-G602 PolarHBondContact ND1-N 2.81Å; H600-G602 VanDerWaalsContact ND1-N 3.18Å; H600-G602 PolarHBondContact O-N 2.86Å; H600-G602 VanDerWaalsContact O-N 3.14Å; G602-S735 PolarHBondContact O-OG 3.21Å; G602-S735 VanDerWaalsContact O-OG 3.11Å |
| 603 | E | 89.5 | Confident | 90 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 1% | 0.014 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -106.9 | -10.3 | 173.4 | -56.7 | -71.5 | 118.6 | 0 | 0 | 113.3 | I599 H600 T601 P715 W717 I729 M733 K734 S735 | I599-E603 HydrophobicContact CG2-CB 3.56Å; H600-E603 HydrophobicContact CB-CB 4.47Å; H600-E603 HydrophobicContact CB-CG 3.98Å; H600-E603 CarbonylContact O-C 3.58Å; H600-E603 VanDerWaalsContact O-CA 3.3Å; H600-E603 WeakPolarHBondContact O-CA 3.46Å; H600-E603 VanDerWaalsContact O-CB 3.24Å; H600-E603 WeakPolarHBondContact O-CB 3.27Å; H600-E603 PolarHBondContact O-N 3.42Å; T601-E603 PolarHBondContact O-N 3.31Å; T601-E603 VanDerWaalsContact O-N 3.17Å; E603-P715 VanDerWaalsContact C-CG 3.44Å; E603-P715 WeakPolarHBondContact O-CG 3.48Å; E603-W717 WeakPolarHBondContact O-CZ2 3.36Å; E603-W717 PolarHBondContact OE2-NE1 2.91Å; E603-I729 HydrophobicContact CB-CG2 3.51Å; E603-I729 HydrophobicContact CG-CG2 3.97Å; E603-M733 HydrophobicContact CG-CG 4.44Å; E603-M733 VanDerWaalsContact OE1-CA 3.28Å; E603-M733 WeakPolarHBondContact OE1-CA 3.33Å; E603-M733 WeakPolarHBondContact OE1-CG 3.43Å; E603-K734 PolarHBondContact OE1-N 3.19Å; E603-K734 PolarHBondContact OE2-N 2.95Å; E603-S735 WeakPolarHBondContact OE1-CA 3.4Å; E603-S735 WeakPolarHBondContact OE1-CB 3.3Å; E603-S735 PolarHBondContact OE1-N 3.26Å; E603-S735 PolarHBondContact OE1-OG 2.82Å |
| 604 | S | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -83.2 | 151.1 | 179.4 | -61.5 | 0 | 0 | 0 | 0 | 111 | I599 H600 T601 K713 P715 | I599-S604 WeakPolarHBondContact CG2-OG 3.3Å; H600-S604 PolarHBondContact O-N 3.31Å; H600-S604 PolarHBondContact O-OG 2.8Å; T601-S604 PolarHBondContact O-N 3.15Å; T601-S604 VanDerWaalsContact O-N 3.12Å; S604-K713 WeakPolarHBondContact O-CE 3.48Å; S604-K713 PolarHBondContact O-NZ 3.37Å; S604-P715 WeakPolarHBondContact O-CG 3.07Å |
| 605 | V | 95.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 8 Ų | 8 | 2% | 0.024 | 5% | 0.053 | C | C | . | . | trans | -71.9 | 132.2 | 159.5 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | V594 D595 V712 K713 V714 F750 M790 | V594-V605 HydrophobicContact CB-CB 4.01Å; V594-V605 HydrophobicContact CB-CG1 4.17Å; V594-V605 WeakPolarHBondContact CB-O 3.49Å; V594-V605 HydrophobicContact CG2-CB 4.08Å; V594-V605 HydrophobicContact CG2-CG1 3.69Å; V594-V605 PolarHBondContact N-O 3.16Å; D595-V605 PolarHBondContact OD2-N 3.4Å; V605-V712 HydrophobicContact CG1-CG1 3.89Å; V605-K713 VanDerWaalsContact CA-O 3.32Å; V605-K713 WeakPolarHBondContact CA-O 3.48Å; V605-K713 WeakPolarHBondContact CG1-O 3.27Å; V605-V714 HydrophobicContact CG1-CG2 4.24Å; V605-V714 HydrophobicContact CG2-CG1 4.35Å; V605-V714 HydrophobicContact CG2-CG2 4.29Å; V605-F750 HydrophobicContact CG1-CE2 4.29Å; V605-M790 HydrophobicContact CB-CE 4.37Å; V605-M790 HydrophobicContact CG2-CE 3.96Å; V605-M790 HydrophobicContact CG2-CG 4.43Å | ||
| 606 | V | 94.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 11.3 Ų | 11.3 | 2% | 0.024 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.3 | -173.8 | -176 | 0 | 0 | 0 | 0 | 109.5 | M591 E592 N593 L666 V712 K713 | M591-V606 HydrophobicContact CB-CG1 4.21Å; M591-V606 HydrophobicContact SD-CG1 4.49Å; E592-V606 WeakPolarHBondContact O-CA 3.26Å; E592-V606 WeakPolarHBondContact O-CG1 3.33Å; N593-V606 VanDerWaalsContact OD1-CG2 3.3Å; N593-V606 WeakPolarHBondContact OD1-CG2 3.38Å; V606-L666 HydrophobicContact CB-CD2 4.29Å; V606-L666 HydrophobicContact CG1-CD2 4.17Å; V606-V712 CarbonylContact O-C 3.54Å; V606-V712 WeakPolarHBondContact O-CA 3.44Å; V606-K713 HydrophobicContact CB-CB 4.23Å; V606-K713 HydrophobicContact CG2-CD 4.49Å; V606-K713 VanDerWaalsContact CG2-NZ 3.33Å; V606-K713 PolarHBondContact N-O 3.49Å; V606-K713 PolarHBondContact O-N 3.11Å |
| 607 | V | 93.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.4 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | E592 Q611 C710 V711 V712 F746 F816 | E592-V607 HydrophobicContact CB-CG1 4.01Å; E592-V607 HydrophobicContact CG-CG1 4.38Å; E592-V607 PolarHBondContact N-O 3.33Å; E592-V607 WeakPolarHBondContact O-CG1 3.42Å; E592-V607 PolarHBondContact O-N 3.47Å; V607-Q611 HydrophobicContact CB-CG 4.3Å; V607-Q611 HydrophobicContact CG1-CG 3.72Å; V607-Q611 HydrophobicContact CG2-CG 3.61Å; V607-C710 VanDerWaalsContact CG2-SG 3.58Å; V607-V711 WeakPolarHBondContact CA-O 3.26Å; V607-V712 HydrophobicContact CG2-CG2 4.24Å; V607-F746 HydrophobicContact CG2-CD2 4.16Å; V607-F746 HydrophobicContact CG2-CE2 4.47Å; V607-F816 HydrophobicContact CB-CE1 4.45Å; V607-F816 HydrophobicContact CG1-CE1 3.76Å; V607-F816 HydrophobicContact CG1-CZ 3.75Å |
| 608 | A | 90.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 11.1 Ų | 11.1 | 3% | 0.033 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | M591 A670 M707 V711 | M591-A608 HydrophobicContact CG-CB 3.94Å; A608-A670 HydrophobicContact CB-CB 4.06Å; A608-M707 HydrophobicContact CB-CE 4.09Å; A608-M707 HydrophobicContact CB-SD 4.47Å; A608-V711 HydrophobicContact CB-CB 4.38Å; A608-V711 PolarHBondContact N-O 3.16Å; A608-V711 PolarHBondContact O-N 3.48Å |
| 609 | P | 86.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | S | Bend | cis | -69.6 | 178.7 | -9.2 | 31.7 | -33 | 0 | 0 | 0 | 111.2 | M34 Y55 Q611 M707 | M34-P609 HydrophobicContact CE-CB 4.27Å; M34-P609 HydrophobicContact SD-CB 3.67Å; M34-P609 HydrophobicContact SD-CG 3.74Å; Y55-P609 HydrophobicContact CD2-CG 4.19Å; Y55-P609 HydrophobicContact CE2-CG 3.28Å; P609-Q611 PolarHBondContact O-NE2 3.06Å; P609-M707 HydrophobicContact CB-CE 3.62Å; P609-M707 HydrophobicContact CG-CE 4Å; P609-M707 VanDerWaalsContact N-CE 3.31Å |
| 610 | S | 90.1 | Very high | 88.5 | Confident | 12 Ų | 12 | 14.6 Ų | 14.6 | 8% | 0.084 | 7% | 0.073 | C | C | . | . | trans | -57.1 | 139 | 170.8 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | N590 M591 E592 | N590-S610 PolarHBondContact ND2-OG 3.13Å; M591-S610 PolarHBondContact O-OG 3.19Å; E592-S610 WeakPolarHBondContact CB-OG 3.17Å; E592-S610 WeakPolarHBondContact OE2-CA 3.22Å; E592-S610 WeakPolarHBondContact OE2-CB 3.44Å | ||
| 611 | Q | 89.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -105.3 | -20.4 | -172.9 | -59 | -61.9 | -47.3 | 0 | 0 | 113.1 | Y55 N60 E592 V607 P609 W815 F816 | Y55-Q611 PolarHBondContact OH-NE2 3.24Å; Y55-Q611 PolarHBondContact OH-OE1 2.84Å; N60-Q611 PolarHBondContact ND2-O 2.97Å; E592-Q611 PolarHBondContact OE2-N 2.75Å; V607-Q611 HydrophobicContact CB-CG 4.3Å; V607-Q611 HydrophobicContact CG1-CG 3.72Å; V607-Q611 HydrophobicContact CG2-CG 3.61Å; P609-Q611 PolarHBondContact O-NE2 3.06Å; Q611-W815 HydrophobicContact CB-CD2 4.36Å; Q611-W815 HydrophobicContact CB-CE3 3.81Å; Q611-W815 HydrophobicContact CB-CH2 3.65Å; Q611-W815 HydrophobicContact CB-CZ2 4.2Å; Q611-W815 HydrophobicContact CB-CZ3 3.44Å; Q611-W815 VanDerWaalsContact CB-CZ3 3.44Å; Q611-W815 HydrophobicContact CG-CE3 4.49Å; Q611-W815 HydrophobicContact CG-CH2 3.66Å; Q611-W815 HydrophobicContact CG-CZ3 3.64Å; Q611-F816 HydrophobicContact CB-CE1 4.18Å; Q611-F816 HydrophobicContact CB-CZ 4.23Å; Q611-F816 HydrophobicContact CG-CE1 4.17Å |
| 612 | T | 89.8 | Confident | 89 | Confident | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -119.5 | 1.5 | -169.9 | 81.5 | 0 | 0 | 0 | 0 | 115 | K573 E592 D813 W815 F816 | K573-T612 PolarHBondContact NZ-OG1 3.01Å; E592-T612 WeakPolarHBondContact OE1-CB 3.4Å; E592-T612 WeakPolarHBondContact OE1-CG2 3.24Å; E592-T612 PolarHBondContact OE1-OG1 2.74Å; E592-T612 PolarHBondContact OE2-N 3.18Å; T612-D813 HydrophobicContact CG2-CB 4.17Å; T612-W815 HydrophobicContact CG2-CB 4.01Å; T612-W815 HydrophobicContact CG2-CD2 4.37Å; T612-W815 HydrophobicContact CG2-CE3 4.18Å; T612-W815 HydrophobicContact CG2-CG 4.32Å; T612-F816 HydrophobicContact CG2-CD2 4.36Å; T612-F816 HydrophobicContact CG2-CE2 3.8Å; T612-F816 HydrophobicContact CG2-CZ 4.07Å |
| 613 | L | 88 | Confident | 89.2 | Confident | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | trans | -82.3 | 134.6 | 175.2 | -59.6 | -177.7 | 0 | 0 | 0 | 111.1 | Y61 I575 E617 L621 | Y61-L613 VanDerWaalsContact CD1-O 3.3Å; Y61-L613 WeakPolarHBondContact CD1-O 3.33Å; I575-L613 HydrophobicContact CD1-CD1 4.04Å; I575-L613 HydrophobicContact CD1-CD2 3.92Å; I575-L613 HydrophobicContact CD1-CG 4.12Å; I575-L613 HydrophobicContact CG1-CD1 4.2Å; I575-L613 HydrophobicContact CG1-CD2 4.15Å; I575-L613 HydrophobicContact CG2-CD1 3.92Å; L613-E617 HydrophobicContact CB-CB 4.31Å; L613-E617 HydrophobicContact CD2-CB 4.27Å; L613-L621 HydrophobicContact CD1-CD1 4.2Å | ||
| 614 | S | 84.8 | Confident | 89.4 | Confident | 8 Ų | 8 | 12.2 Ų | 12.2 | 6% | 0.056 | 6% | 0.06 | C | C | . | . | trans | -70.6 | 163.5 | 165.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | Y99 Q616 E617 Y618 | Y99-S614 PolarHBondContact OH-OG 3.39Å; S614-Q616 VanDerWaalsContact C-N 3.25Å; S614-Q616 PolarHBondContact O-N 3.28Å; S614-E617 WeakPolarHBondContact CB-OE2 3.27Å; S614-E617 PolarHBondContact N-OE2 2.67Å; S614-E617 PolarHBondContact O-N 3.47Å; S614-E617 VanDerWaalsContact OG-CD 3.3Å; S614-E617 VanDerWaalsContact OG-CG 3.23Å; S614-E617 WeakPolarHBondContact OG-CG 3.17Å; S614-E617 PolarHBondContact OG-N 2.81Å; S614-E617 PolarHBondContact OG-OE2 2.95Å; S614-Y618 WeakPolarHBondContact O-CB 2.97Å; S614-Y618 PolarHBondContact O-N 2.96Å | ||
| 615 | G | 82.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -53.7 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E617 Y618 F619 | G615-E617 PolarHBondContact O-N 3.32Å; G615-Y618 PolarHBondContact O-N 3.14Å; G615-F619 VanDerWaalsContact O-CD2 3.28Å; G615-F619 WeakPolarHBondContact O-CD2 3.21Å; G615-F619 PolarHBondContact O-N 3.26Å |
| 616 | Q | 82.9 | Confident | 89.1 | Confident | 80 Ų | 80 | 12.3 Ų | 12.3 | 37% | 0.374 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 179.8 | -174.7 | -179.3 | 42.1 | 0 | 0 | 111.8 | C344 S614 K620 F649 | C344-Q616 PolarHBondContact SG-N 3.48Å; S614-Q616 VanDerWaalsContact C-N 3.25Å; S614-Q616 PolarHBondContact O-N 3.28Å; Q616-K620 WeakPolarHBondContact O-CB 3.22Å; Q616-K620 PolarHBondContact O-N 3.17Å; Q616-F649 HydrophobicContact CG-CE1 4.5Å |
| 617 | E | 87.7 | Confident | 88.9 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.2 | -47 | 178 | -68.3 | 169.2 | 138.9 | 0 | 0 | 110.9 | Y99 L613 S614 G615 F619 K620 L621 F649 | Y99-E617 WeakPolarHBondContact CE2-OE1 3.29Å; Y99-E617 VanDerWaalsContact CE2-OE2 3.26Å; Y99-E617 WeakPolarHBondContact CE2-OE2 3.31Å; L613-E617 HydrophobicContact CB-CB 4.31Å; L613-E617 HydrophobicContact CD2-CB 4.27Å; S614-E617 WeakPolarHBondContact CB-OE2 3.27Å; S614-E617 PolarHBondContact N-OE2 2.67Å; S614-E617 PolarHBondContact O-N 3.47Å; S614-E617 VanDerWaalsContact OG-CD 3.3Å; S614-E617 VanDerWaalsContact OG-CG 3.23Å; S614-E617 WeakPolarHBondContact OG-CG 3.17Å; S614-E617 PolarHBondContact OG-N 2.81Å; S614-E617 PolarHBondContact OG-OE2 2.95Å; G615-E617 PolarHBondContact O-N 3.32Å; E617-F619 PolarHBondContact O-N 3.18Å; E617-K620 PolarHBondContact O-N 3.23Å; E617-L621 WeakPolarHBondContact O-CB 3.11Å; E617-L621 VanDerWaalsContact O-CG 3.26Å; E617-L621 WeakPolarHBondContact O-CG 3.33Å; E617-L621 PolarHBondContact O-N 3.35Å; E617-F649 HydrophobicContact CB-CD2 4.4Å; E617-F649 HydrophobicContact CB-CE2 3.99Å; E617-F649 HydrophobicContact CB-CZ 4.39Å; E617-F649 HydrophobicContact CG-CD2 3.5Å; E617-F649 HydrophobicContact CG-CE2 3.59Å; E617-F649 HydrophobicContact CG-CG 4.03Å; E617-F649 HydrophobicContact CG-CZ 4.16Å |
| 618 | Y | 87.8 | Confident | 88.9 | Confident | 13 Ų | 13 | 16.5 Ų | 16.5 | 5% | 0.051 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.2 | -53.3 | 179.9 | -176.3 | -77.9 | 0 | 0 | 0 | 111.9 | M34 A35 Y577 N590 S614 G615 R622 | M34-Y618 WeakPolarHBondContact CE-OH 3.45Å; A35-Y618 HydrophobicContact CB-CD2 4.43Å; A35-Y618 HydrophobicContact CB-CG 4.29Å; Y577-Y618 PolarHBondContact OH-O 3.41Å; N590-Y618 VanDerWaalsContact CG-CE2 3.5Å; N590-Y618 WeakPolarHBondContact ND2-CE2 3.4Å; N590-Y618 WeakPolarHBondContact OD1-CE2 3.41Å; N590-Y618 PolarHBondContact OD1-OH 2.89Å; S614-Y618 WeakPolarHBondContact O-CB 2.97Å; S614-Y618 PolarHBondContact O-N 2.96Å; G615-Y618 PolarHBondContact O-N 3.14Å; Y618-R622 WeakPolarHBondContact O-CB 3.47Å; Y618-R622 PolarHBondContact O-N 2.89Å |
| 619 | F | 87 | Confident | 88.9 | Confident | 20 Ų | 20 | 16.3 Ų | 16.3 | 9% | 0.088 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -76.3 | -30.4 | -176.1 | -74.7 | -78.2 | 0 | 0 | 0 | 112.4 | H279 C344 G345 G615 E617 R622 S623 | H279-F619 HydrophobicContact CB-CZ 4.21Å; H279-F619 AromaticContact ND1-CZ 3.86Å; C344-F619 HydrophobicContact CB-CD2 4.08Å; C344-F619 HydrophobicContact CB-CE2 4.45Å; C344-F619 WeakPolarHBondContact O-CD2 3.49Å; C344-F619 WeakPolarHBondContact O-CE2 3.33Å; C344-F619 WeakPolarHBondContact O-CZ 3.34Å; G345-F619 VanDerWaalsContact C-CE1 3.42Å; G345-F619 WeakPolarHBondContact O-CD1 3.33Å; G345-F619 WeakPolarHBondContact O-CG 3.47Å; G615-F619 VanDerWaalsContact O-CD2 3.28Å; G615-F619 WeakPolarHBondContact O-CD2 3.21Å; G615-F619 PolarHBondContact O-N 3.26Å; E617-F619 PolarHBondContact O-N 3.18Å; F619-R622 WeakPolarHBondContact O-CB 3.18Å; F619-R622 PolarHBondContact O-N 3.07Å; F619-S623 PolarHBondContact O-N 3.38Å; F619-S623 PolarHBondContact O-OG 2.64Å |
| 620 | K | 88.6 | Confident | 89.1 | Confident | 83 Ų | 83 | 20 Ų | 20 | 36% | 0.361 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.3 | 178.9 | 63.9 | 177.1 | -172.4 | 0 | 112.4 | Q616 E617 S623 S624 F649 Y651 | Q616-K620 WeakPolarHBondContact O-CB 3.22Å; Q616-K620 PolarHBondContact O-N 3.17Å; E617-K620 PolarHBondContact O-N 3.23Å; K620-S623 PolarHBondContact O-N 3.4Å; K620-S624 WeakPolarHBondContact O-CB 3.46Å; K620-S624 PolarHBondContact O-N 3.1Å; K620-F649 HydrophobicContact CB-CE1 3.96Å; K620-F649 HydrophobicContact CB-CZ 3.66Å; K620-F649 HydrophobicContact CG-CE1 3.78Å; K620-F649 HydrophobicContact CG-CZ 3.56Å; K620-Y651 HydrophobicContact CG-CE1 4.3Å |
| 621 | L | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 175.9 | -66.5 | 174.4 | 0 | 0 | 0 | 111.3 | I575 Y577 L613 E617 S624 A625 F642 V644 Y651 | I575-L621 HydrophobicContact CG1-CD1 4.41Å; I575-L621 HydrophobicContact CG2-CD1 4.38Å; Y577-L621 HydrophobicContact CD2-CB 4.49Å; Y577-L621 HydrophobicContact CE2-CB 3.56Å; Y577-L621 HydrophobicContact CE2-CD1 4.28Å; L613-L621 HydrophobicContact CD1-CD1 4.2Å; E617-L621 WeakPolarHBondContact O-CB 3.11Å; E617-L621 VanDerWaalsContact O-CG 3.26Å; E617-L621 WeakPolarHBondContact O-CG 3.33Å; E617-L621 PolarHBondContact O-N 3.35Å; L621-S624 WeakPolarHBondContact O-CB 3.3Å; L621-S624 PolarHBondContact O-N 3.33Å; L621-A625 WeakPolarHBondContact O-CB 3.26Å; L621-A625 PolarHBondContact O-N 2.95Å; L621-F642 HydrophobicContact CB-CD2 4.45Å; L621-F642 HydrophobicContact CB-CE2 4.42Å; L621-F642 HydrophobicContact CD2-CB 4.14Å; L621-F642 HydrophobicContact CD2-CD1 3.93Å; L621-F642 HydrophobicContact CD2-CD2 4.27Å; L621-F642 HydrophobicContact CD2-CE1 4.35Å; L621-F642 HydrophobicContact CD2-CG 3.86Å; L621-V644 HydrophobicContact CD1-CG2 3.69Å; L621-V644 HydrophobicContact CD2-CG2 4.35Å; L621-Y651 HydrophobicContact CD2-CD1 4.11Å; L621-Y651 HydrophobicContact CD2-CD2 3.83Å; L621-Y651 HydrophobicContact CD2-CE2 4.43Å; L621-Y651 HydrophobicContact CD2-CG 3.65Å |
| 622 | R | 90.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.3 | -54 | 171.1 | -177.8 | -168 | 170.5 | -83.6 | -7.6 | 111.7 | D348 Y577 Y618 F619 S624 A625 I626 E704 | D348-R622 IonicContact OD1-CZ 3.02Å; D348-R622 IonicContact OD1-NH1 3.65Å; D348-R622 PolarHBondContact OD1-NH1 2.79Å; D348-R622 IonicContact OD1-NH2 2.73Å; D348-R622 PolarHBondContact OD1-NH2 2.86Å; D348-R622 IonicContact OD2-NH2 3.89Å; D348-R622 PolarHBondContact OD2-NH2 3.44Å; Y577-R622 HydrophobicContact CD1-CB 4.44Å; Y577-R622 VanDerWaalsContact CE1-CA 3.45Å; Y577-R622 HydrophobicContact CE1-CB 3.68Å; Y577-R622 HydrophobicContact CE1-CG 4.35Å; Y618-R622 WeakPolarHBondContact O-CB 3.47Å; Y618-R622 PolarHBondContact O-N 2.89Å; F619-R622 WeakPolarHBondContact O-CB 3.18Å; F619-R622 PolarHBondContact O-N 3.07Å; R622-S624 VanDerWaalsContact C-N 3.3Å; R622-S624 PolarHBondContact O-N 2.89Å; R622-A625 WeakPolarHBondContact O-CB 3.13Å; R622-A625 PolarHBondContact O-N 3.32Å; R622-A625 VanDerWaalsContact O-N 3.15Å; R622-I626 HydrophobicContact CG-CD1 4.18Å; R622-I626 WeakPolarHBondContact O-CG1 3.17Å; R622-I626 PolarHBondContact O-N 3.16Å; R622-E704 IonicContact CZ-OE1 2.76Å; R622-E704 IonicContact NE-OE1 3.56Å; R622-E704 PolarHBondContact NE-OE1 2.95Å; R622-E704 IonicContact NE-OE2 2.71Å; R622-E704 PolarHBondContact NE-OE2 3.28Å; R622-E704 VanDerWaalsContact NE-OE2 3.11Å; R622-E704 IonicContact NH2-OE1 3.6Å; R622-E704 PolarHBondContact NH2-OE1 3.16Å |
| 623 | S | 89.3 | Confident | 89.3 | Confident | 8 Ų | 8 | 26.9 Ų | 26.9 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | -179.6 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | D347 F619 K620 I626 R627 | D347-S623 PolarHBondContact OD1-OG 2.94Å; D347-S623 WeakPolarHBondContact OD2-CB 3.11Å; D347-S623 PolarHBondContact OD2-OG 3.32Å; D347-S623 VanDerWaalsContact OD2-OG 3.09Å; F619-S623 PolarHBondContact O-N 3.38Å; F619-S623 PolarHBondContact O-OG 2.64Å; K620-S623 PolarHBondContact O-N 3.4Å; S623-I626 PolarHBondContact O-N 2.9Å; S623-R627 WeakPolarHBondContact O-CG 3.3Å; S623-R627 PolarHBondContact O-N 2.91Å |
| 624 | S | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 171.1 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | E502 K620 L621 R622 I626 R627 I628 F642 | E502-S624 PolarHBondContact OE1-OG 3.36Å; E502-S624 PolarHBondContact OE2-OG 3.18Å; K620-S624 WeakPolarHBondContact O-CB 3.46Å; K620-S624 PolarHBondContact O-N 3.1Å; L621-S624 WeakPolarHBondContact O-CB 3.3Å; L621-S624 PolarHBondContact O-N 3.33Å; R622-S624 VanDerWaalsContact C-N 3.3Å; R622-S624 PolarHBondContact O-N 2.89Å; S624-I626 VanDerWaalsContact C-N 3.33Å; S624-I626 PolarHBondContact O-N 3.1Å; S624-R627 PolarHBondContact O-N 3.38Å; S624-I628 WeakPolarHBondContact O-CB 3.35Å; S624-I628 WeakPolarHBondContact O-CD1 3.44Å; S624-I628 WeakPolarHBondContact O-CG1 3.29Å; S624-I628 PolarHBondContact O-N 3.11Å; S624-F642 WeakPolarHBondContact OG-CE1 3.5Å |
| 625 | A | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y577 V579 L621 R622 I628 V629 V640 F642 | Y577-A625 HydrophobicContact CD1-CB 4.27Å; Y577-A625 HydrophobicContact CG-CB 4.13Å; V579-A625 HydrophobicContact CG2-CB 4.01Å; L621-A625 WeakPolarHBondContact O-CB 3.26Å; L621-A625 PolarHBondContact O-N 2.95Å; R622-A625 WeakPolarHBondContact O-CB 3.13Å; R622-A625 PolarHBondContact O-N 3.32Å; R622-A625 VanDerWaalsContact O-N 3.15Å; A625-I628 PolarHBondContact O-N 3.17Å; A625-V629 WeakPolarHBondContact O-CB 3.36Å; A625-V629 VanDerWaalsContact O-CG2 3.23Å; A625-V629 WeakPolarHBondContact O-CG2 3.33Å; A625-V629 PolarHBondContact O-N 3.42Å; A625-V640 HydrophobicContact CB-CB 4.29Å; A625-V640 HydrophobicContact CB-CG1 4.49Å; A625-V640 HydrophobicContact CB-CG2 4.24Å; A625-F642 HydrophobicContact CB-CE2 4.02Å; A625-F642 HydrophobicContact CB-CZ 4.01Å |
| 626 | I | 89.4 | Confident | 90 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 177 | -66.4 | 173.6 | 0 | 0 | 0 | 111.2 | C587 R622 S623 S624 I628 V629 R630 | C587-I626 HydrophobicContact CB-CD1 4.2Å; C587-I626 HydrophobicContact CB-CG1 3.81Å; C587-I626 HydrophobicContact CB-CG2 4.17Å; R622-I626 HydrophobicContact CG-CD1 4.18Å; R622-I626 WeakPolarHBondContact O-CG1 3.17Å; R622-I626 PolarHBondContact O-N 3.16Å; S623-I626 PolarHBondContact O-N 2.9Å; S624-I626 VanDerWaalsContact C-N 3.33Å; S624-I626 PolarHBondContact O-N 3.1Å; I626-I628 PolarHBondContact O-N 2.77Å; I626-V629 PolarHBondContact O-N 2.9Å; I626-R630 HydrophobicContact CG2-CG 4.45Å; I626-R630 VanDerWaalsContact CG2-CZ 3.41Å; I626-R630 WeakPolarHBondContact O-CB 3.35Å; I626-R630 VanDerWaalsContact O-CG 3.26Å; I626-R630 WeakPolarHBondContact O-CG 3.26Å; I626-R630 PolarHBondContact O-N 3.07Å |
| 627 | R | 90.4 | Very high | 90.4 | Very high | 92 Ų | 92 | 23.2 Ų | 23.2 | 35% | 0.347 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -58.9 | -46 | 176.5 | -77.2 | -164 | -61 | -101.3 | -5.1 | 111.9 | E502 S623 S624 R630 H631 | E502-R627 IonicContact OE1-CZ 3.97Å; E502-R627 VanDerWaalsContact OE1-CZ 3.28Å; E502-R627 IonicContact OE1-NE 3.46Å; E502-R627 PolarHBondContact OE1-NE 2.92Å; E502-R627 IonicContact OE1-NH2 3.79Å; E502-R627 PolarHBondContact OE1-NH2 3.46Å; S623-R627 WeakPolarHBondContact O-CG 3.3Å; S623-R627 PolarHBondContact O-N 2.91Å; S624-R627 PolarHBondContact O-N 3.38Å; R627-R630 PolarHBondContact O-N 3Å; R627-H631 WeakPolarHBondContact O-CB 3.34Å; R627-H631 PolarHBondContact O-N 3.36Å |
| 628 | I | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.8 | -50.6 | 179.4 | -72.1 | 167 | 0 | 0 | 0 | 110.8 | M497 I500 E502 S624 A625 I626 R630 H631 L632 V640 F642 V653 V656 | M497-I628 HydrophobicContact CE-CG2 4.04Å; M497-I628 HydrophobicContact SD-CB 4.47Å; M497-I628 HydrophobicContact SD-CD1 4.12Å; M497-I628 HydrophobicContact SD-CG1 3.8Å; M497-I628 HydrophobicContact SD-CG2 3.99Å; I500-I628 HydrophobicContact CD1-CG1 4.11Å; E502-I628 HydrophobicContact CB-CG1 4.46Å; E502-I628 HydrophobicContact CG-CD1 4.2Å; E502-I628 HydrophobicContact CG-CG1 3.87Å; S624-I628 WeakPolarHBondContact O-CB 3.35Å; S624-I628 WeakPolarHBondContact O-CD1 3.44Å; S624-I628 WeakPolarHBondContact O-CG1 3.29Å; S624-I628 PolarHBondContact O-N 3.11Å; A625-I628 PolarHBondContact O-N 3.17Å; I626-I628 PolarHBondContact O-N 2.77Å; I628-R630 VanDerWaalsContact C-N 3.34Å; I628-R630 PolarHBondContact O-N 3.33Å; I628-H631 PolarHBondContact O-N 3.01Å; I628-L632 HydrophobicContact CG2-CD1 3.74Å; I628-L632 WeakPolarHBondContact O-CB 3.41Å; I628-L632 VanDerWaalsContact O-CG 3.29Å; I628-L632 WeakPolarHBondContact O-CG 3.45Å; I628-L632 PolarHBondContact O-N 3.36Å; I628-V640 HydrophobicContact CD1-CG1 4.07Å; I628-V640 HydrophobicContact CG2-CG2 4.47Å; I628-F642 HydrophobicContact CD1-CE1 4.12Å; I628-F642 HydrophobicContact CD1-CZ 4.21Å; I628-V653 HydrophobicContact CD1-CG1 4.08Å; I628-V653 HydrophobicContact CD1-CG2 3.72Å; I628-V656 HydrophobicContact CG2-CG2 3.51Å |
| 629 | V | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | -176.8 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | V579 R581 A625 I626 E633 I634 C638 V640 | V579-V629 HydrophobicContact CB-CG2 3.97Å; V579-V629 HydrophobicContact CG1-CB 4.21Å; V579-V629 HydrophobicContact CG1-CG1 4.03Å; V579-V629 HydrophobicContact CG1-CG2 3.97Å; V579-V629 HydrophobicContact CG2-CG2 4.17Å; R581-V629 HydrophobicContact CB-CG1 3.87Å; A625-V629 WeakPolarHBondContact O-CB 3.36Å; A625-V629 VanDerWaalsContact O-CG2 3.23Å; A625-V629 WeakPolarHBondContact O-CG2 3.33Å; A625-V629 PolarHBondContact O-N 3.42Å; I626-V629 PolarHBondContact O-N 2.9Å; V629-E633 PolarHBondContact O-N 3.43Å; V629-I634 HydrophobicContact CG1-CB 3.92Å; V629-I634 HydrophobicContact CG1-CG2 4.34Å; V629-I634 PolarHBondContact O-N 2.9Å; V629-C638 WeakPolarHBondContact CG2-SG 3.26Å; V629-V640 HydrophobicContact CG2-CG2 3.87Å |
| 630 | R | 89.7 | Confident | 90.9 | Very high | 80 Ų | 80 | 21.6 Ų | 21.6 | 30% | 0.302 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -64.9 | -47.7 | 173 | -73.3 | 179.7 | 173.3 | 153.8 | 3.2 | 111.8 | D585 I626 R627 I628 L632 E633 | D585-R630 PolarHBondContact O-NH2 2.98Å; D585-R630 WeakPolarHBondContact OD1-CG 3.48Å; D585-R630 IonicContact OD1-NE 3.7Å; I626-R630 HydrophobicContact CG2-CG 4.45Å; I626-R630 VanDerWaalsContact CG2-CZ 3.41Å; I626-R630 WeakPolarHBondContact O-CB 3.35Å; I626-R630 VanDerWaalsContact O-CG 3.26Å; I626-R630 WeakPolarHBondContact O-CG 3.26Å; I626-R630 PolarHBondContact O-N 3.07Å; R627-R630 PolarHBondContact O-N 3Å; I628-R630 VanDerWaalsContact C-N 3.34Å; I628-R630 PolarHBondContact O-N 3.33Å; R630-L632 VanDerWaalsContact C-N 3.28Å; R630-L632 PolarHBondContact O-N 3.13Å; R630-E633 PolarHBondContact O-N 3.33Å; R630-E633 VanDerWaalsContact O-N 3.08Å |
| 631 | H | 92.5 | Very high | 91.1 | Very high | 48 Ų | 48 | 18 Ų | 18 | 22% | 0.222 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -33.5 | 179.8 | -178.4 | 67.3 | 0 | 0 | 0 | 112.8 | K496 E499 I500 R627 I628 E633 | K496-H631 WeakPolarHBondContact CD-NE2 3.42Å; K496-H631 PolarHBondContact O-CD2 2.86Å; K496-H631 VanDerWaalsContact O-CD2 3.27Å; K496-H631 PolarHBondContact O-NE2 3.44Å; K496-H631 VanDerWaalsContact O-NE2 3.13Å; E499-H631 IonicContact OE2-CE1 3.4Å; E499-H631 PolarHBondContact OE2-CE1 3.17Å; E499-H631 VanDerWaalsContact OE2-CE1 3.22Å; E499-H631 IonicContact OE2-NE2 2.8Å; E499-H631 PolarHBondContact OE2-NE2 3.25Å; I500-H631 HydrophobicContact CD1-CB 3.91Å; I500-H631 HydrophobicContact CG2-CB 3.97Å; I500-H631 VanDerWaalsContact CG2-CG 3.47Å; I500-H631 WeakPolarHBondContact CG2-ND1 3.39Å; R627-H631 WeakPolarHBondContact O-CB 3.34Å; R627-H631 PolarHBondContact O-N 3.36Å; I628-H631 PolarHBondContact O-N 3.01Å; H631-E633 VanDerWaalsContact C-N 3.26Å; H631-E633 PolarHBondContact O-N 3.16Å |
| 632 | L | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.4 | 176.2 | -66.2 | 170.3 | 0 | 0 | 0 | 113.6 | S483 W486 T487 K496 M497 I628 R630 I634 V656 | S483-L632 WeakPolarHBondContact CB-O 3.34Å; S483-L632 PolarHBondContact OG-O 3.4Å; W486-L632 HydrophobicContact CB-CD2 4.12Å; W486-L632 HydrophobicContact CE3-CD2 4.35Å; T487-L632 HydrophobicContact CG2-CD1 3.7Å; T487-L632 HydrophobicContact CG2-CD2 4.29Å; T487-L632 HydrophobicContact CG2-CG 4.48Å; K496-L632 HydrophobicContact CB-CD2 4.03Å; K496-L632 HydrophobicContact CG-CD2 4.27Å; M497-L632 HydrophobicContact CE-CD1 3.98Å; M497-L632 HydrophobicContact CE-CD2 4.14Å; M497-L632 HydrophobicContact CE-CG 4.1Å; I628-L632 HydrophobicContact CG2-CD1 3.74Å; I628-L632 WeakPolarHBondContact O-CB 3.41Å; I628-L632 VanDerWaalsContact O-CG 3.29Å; I628-L632 WeakPolarHBondContact O-CG 3.45Å; I628-L632 PolarHBondContact O-N 3.36Å; R630-L632 VanDerWaalsContact C-N 3.28Å; R630-L632 PolarHBondContact O-N 3.13Å; L632-I634 HydrophobicContact CB-CD1 4.01Å; L632-I634 HydrophobicContact CB-CG1 3.91Å; L632-I634 HydrophobicContact CD1-CD1 4.25Å; L632-I634 PolarHBondContact O-N 3.31Å; L632-V656 HydrophobicContact CD1-CB 4.22Å; L632-V656 HydrophobicContact CD1-CG1 4.02Å; L632-V656 HydrophobicContact CD1-CG2 4.12Å |
| 633 | E | 89.9 | Confident | 91.3 | Very high | 115 Ų | 115 | 17.9 Ų | 17.9 | 54% | 0.537 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33.6 | 178.5 | -56.9 | 179.8 | 172.9 | 0 | 0 | 113.7 | V629 R630 H631 V635 | V629-E633 PolarHBondContact O-N 3.43Å; R630-E633 PolarHBondContact O-N 3.33Å; R630-E633 VanDerWaalsContact O-N 3.08Å; H631-E633 VanDerWaalsContact C-N 3.26Å; H631-E633 PolarHBondContact O-N 3.16Å; E633-V635 PolarHBondContact O-N 3.37Å |
| 634 | I | 90.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -72.7 | 131.9 | -177.5 | -64.7 | 173.8 | 0 | 0 | 0 | 109.6 | T479 R581 V629 L632 C638 V656 A658 | T479-I634 HydrophobicContact CG2-CG1 4.45Å; T479-I634 WeakPolarHBondContact OG1-CG2 3.36Å; R581-I634 WeakPolarHBondContact CD-O 3.4Å; R581-I634 WeakPolarHBondContact CG-O 3.35Å; R581-I634 PolarHBondContact NH1-O 2.77Å; V629-I634 HydrophobicContact CG1-CB 3.92Å; V629-I634 HydrophobicContact CG1-CG2 4.34Å; V629-I634 PolarHBondContact O-N 2.9Å; L632-I634 HydrophobicContact CB-CD1 4.01Å; L632-I634 HydrophobicContact CB-CG1 3.91Å; L632-I634 HydrophobicContact CD1-CD1 4.25Å; L632-I634 PolarHBondContact O-N 3.31Å; I634-C638 HydrophobicContact CD1-CB 3.95Å; I634-C638 HydrophobicContact CG2-CB 3.95Å; I634-V656 HydrophobicContact CD1-CG1 3.87Å; I634-A658 HydrophobicContact CD1-CB 3.73Å; I634-A658 HydrophobicContact CG1-CB 4.08Å | ||
| 635 | V | 88.7 | Confident | 91.4 | Very high | 16 Ų | 16 | 18.2 Ų | 18.2 | 10% | 0.097 | 8% | 0.08 | C | C | . | . | trans | -124.8 | 124.9 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | G478 T479 R581 V583 E633 | G478-V635 CarbonylContact C-O 3.55Å; T479-V635 PolarHBondContact N-O 3.1Å; T479-V635 PolarHBondContact OG1-N 3.38Å; T479-V635 VanDerWaalsContact OG1-N 3.14Å; T479-V635 PolarHBondContact OG1-O 2.89Å; R581-V635 WeakPolarHBondContact O-CA 3.4Å; V583-V635 HydrophobicContact CG1-CG1 3.69Å; V583-V635 HydrophobicContact CG1-CG2 4.08Å; E633-V635 PolarHBondContact O-N 3.37Å | ||
| 636 | G | 89.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.2 | -123.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V580 R581 | V580-G636 CarbonylContact C-O 3.54Å; V580-G636 WeakPolarHBondContact CA-O 3.39Å; V580-G636 WeakPolarHBondContact CG1-O 3.33Å; R581-G636 PolarHBondContact N-O 2.95Å; R581-G636 PolarHBondContact O-N 3.3Å |
| 637 | E | 91 | Very high | 90.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.5 | -176.8 | 178.8 | -85.1 | -170.4 | 0 | 0 | 110.9 | V579 V580 R659 L660 S664 L675 A679 | V579-E637 CarbonylContact O-C 3.44Å; V579-E637 WeakPolarHBondContact O-CA 3.46Å; V580-E637 HydrophobicContact CG2-CB 4.27Å; V580-E637 HydrophobicContact CG2-CG 4.14Å; E637-R659 VanDerWaalsContact OE2-C 3.26Å; E637-L660 HydrophobicContact CB-CD2 4.22Å; E637-L660 HydrophobicContact CG-CD2 4.07Å; E637-L660 WeakPolarHBondContact OE2-CA 3.4Å; E637-L660 WeakPolarHBondContact OE2-CD2 3.28Å; E637-L660 WeakPolarHBondContact OE2-CG 3.48Å; E637-L660 PolarHBondContact OE2-N 2.8Å; E637-L660 VanDerWaalsContact OE2-N 3.1Å; E637-S664 WeakPolarHBondContact OE1-CB 3.44Å; E637-S664 PolarHBondContact OE1-OG 3.26Å; E637-L675 HydrophobicContact CG-CB 4.4Å; E637-L675 HydrophobicContact CG-CD1 4.37Å; E637-L675 HydrophobicContact CG-CD2 4.46Å; E637-A679 HydrophobicContact CB-CB 4.04Å |
| 638 | C | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 165.4 | 173.7 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | V579 V629 I634 N657 | V579-C638 PolarHBondContact N-O 3.47Å; V579-C638 PolarHBondContact O-N 2.85Å; V629-C638 WeakPolarHBondContact CG2-SG 3.26Å; I634-C638 HydrophobicContact CD1-CB 3.95Å; I634-C638 HydrophobicContact CG2-CB 3.95Å; C638-N657 WeakPolarHBondContact CA-O 3.38Å; C638-N657 WeakPolarHBondContact CB-O 3.35Å |
| 639 | N | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.1 | 176.2 | 170.6 | -92.6 | 0 | 0 | 0 | 109.9 | E576 Y577 E578 Q641 V656 N657 | E576-N639 PolarHBondContact OE2-ND2 3.43Å; Y577-N639 CarbonylContact O-C 3.59Å; Y577-N639 WeakPolarHBondContact O-CA 3.32Å; E578-N639 PolarHBondContact OE1-ND2 2.9Å; E578-N639 WeakPolarHBondContact OE2-CB 3.5Å; N639-Q641 WeakPolarHBondContact OD1-CG 3.44Å; N639-Q641 PolarHBondContact OD1-NE2 3.29Å; N639-V656 CarbonylContact O-C 3.51Å; N639-V656 WeakPolarHBondContact O-CA 3.48Å; N639-N657 HydrophobicContact CB-CB 4.31Å; N639-N657 PolarHBondContact N-O 3.45Å; N639-N657 PolarHBondContact O-N 3.09Å |
| 640 | V | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.5 | 174.1 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | Y577 V579 A625 I628 V629 F642 V653 V656 | Y577-V640 PolarHBondContact N-O 3.09Å; Y577-V640 PolarHBondContact O-N 3.17Å; V579-V640 HydrophobicContact CG2-CG2 4.22Å; A625-V640 HydrophobicContact CB-CB 4.29Å; A625-V640 HydrophobicContact CB-CG1 4.49Å; A625-V640 HydrophobicContact CB-CG2 4.24Å; I628-V640 HydrophobicContact CD1-CG1 4.07Å; I628-V640 HydrophobicContact CG2-CG2 4.47Å; V629-V640 HydrophobicContact CG2-CG2 3.87Å; V640-F642 HydrophobicContact CB-CE2 4.16Å; V640-F642 HydrophobicContact CB-CZ 4.41Å; V640-F642 HydrophobicContact CG1-CD2 4.33Å; V640-F642 HydrophobicContact CG1-CE1 4.08Å; V640-F642 HydrophobicContact CG1-CE2 3.6Å; V640-F642 HydrophobicContact CG1-CZ 3.46Å; V640-F642 VanDerWaalsContact CG1-CZ 3.46Å; V640-V653 HydrophobicContact CG1-CG1 4.4Å; V640-V656 HydrophobicContact CB-CG2 4.49Å; V640-V656 HydrophobicContact CG1-CG2 4.11Å; V640-V656 HydrophobicContact CG2-CG1 4.43Å; V640-V656 HydrophobicContact CG2-CG2 4.15Å |
| 641 | Q | 92.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.3 | -177.6 | -60.6 | 177.6 | 11.9 | 0 | 0 | 111 | E576 N639 I654 E655 N657 | E576-Q641 HydrophobicContact CG-CG 4.22Å; N639-Q641 WeakPolarHBondContact OD1-CG 3.44Å; N639-Q641 PolarHBondContact OD1-NE2 3.29Å; Q641-I654 HydrophobicContact CB-CB 4.01Å; Q641-I654 HydrophobicContact CB-CD1 4.46Å; Q641-I654 WeakPolarHBondContact O-CB 3.36Å; Q641-I654 PolarHBondContact O-N 3.5Å; Q641-E655 HydrophobicContact CB-CG 4.14Å; Q641-E655 HydrophobicContact CG-CG 4.09Å; Q641-E655 PolarHBondContact N-O 3.4Å; Q641-E655 PolarHBondContact NE2-OE1 3.48Å; Q641-E655 PolarHBondContact OE1-OE1 3.23Å; Q641-N657 PolarHBondContact NE2-ND2 3Å |
| 642 | F | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.8 | 179.2 | -60 | -80.8 | 0 | 0 | 0 | 111.5 | E574 I575 Y577 L621 S624 A625 I628 V640 Y651 R652 V653 | E574-F642 WeakPolarHBondContact CA-O 3.34Å; I575-F642 HydrophobicContact CB-CB 4.48Å; I575-F642 PolarHBondContact N-O 3.02Å; I575-F642 PolarHBondContact O-N 3.18Å; Y577-F642 AromaticContact CD2-CD2 3.72Å; Y577-F642 HydrophobicContact CD2-CD2 3.72Å; Y577-F642 AromaticContact CD2-CE2 3.63Å; Y577-F642 HydrophobicContact CD2-CE2 3.63Å; Y577-F642 HydrophobicContact CE2-CD2 4.17Å; Y577-F642 HydrophobicContact CE2-CE2 4.23Å; Y577-F642 HydrophobicContact CG-CE2 4.18Å; L621-F642 HydrophobicContact CB-CD2 4.45Å; L621-F642 HydrophobicContact CB-CE2 4.42Å; L621-F642 HydrophobicContact CD2-CB 4.14Å; L621-F642 HydrophobicContact CD2-CD1 3.93Å; L621-F642 HydrophobicContact CD2-CD2 4.27Å; L621-F642 HydrophobicContact CD2-CE1 4.35Å; L621-F642 HydrophobicContact CD2-CG 3.86Å; S624-F642 WeakPolarHBondContact OG-CE1 3.5Å; A625-F642 HydrophobicContact CB-CE2 4.02Å; A625-F642 HydrophobicContact CB-CZ 4.01Å; I628-F642 HydrophobicContact CD1-CE1 4.12Å; I628-F642 HydrophobicContact CD1-CZ 4.21Å; V640-F642 HydrophobicContact CB-CE2 4.16Å; V640-F642 HydrophobicContact CB-CZ 4.41Å; V640-F642 HydrophobicContact CG1-CD2 4.33Å; V640-F642 HydrophobicContact CG1-CE1 4.08Å; V640-F642 HydrophobicContact CG1-CE2 3.6Å; V640-F642 HydrophobicContact CG1-CZ 3.46Å; V640-F642 VanDerWaalsContact CG1-CZ 3.46Å; F642-Y651 AromaticContact CD1-CD2 3.83Å; F642-Y651 HydrophobicContact CD1-CD2 3.83Å; F642-Y651 HydrophobicContact CD1-CE2 4.24Å; F642-Y651 HydrophobicContact CE1-CD2 4.2Å; F642-Y651 HydrophobicContact CE1-CE2 4.13Å; F642-R652 CarbonylContact C-O 3.53Å; F642-R652 WeakPolarHBondContact CA-O 3.47Å; F642-V653 HydrophobicContact CD1-CG2 4.22Å; F642-V653 HydrophobicContact CE1-CG2 3.93Å |
| 643 | A | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L569 W572 K573 V597 Y651 R652 I654 | L569-A643 HydrophobicContact CB-CB 4.37Å; L569-A643 HydrophobicContact CD1-CB 3.59Å; W572-A643 HydrophobicContact CB-CB 4.21Å; W572-A643 HydrophobicContact CE3-CB 4.07Å; K573-A643 CarbonylContact O-C 3.59Å; K573-A643 VanDerWaalsContact O-CA 3.26Å; K573-A643 WeakPolarHBondContact O-CA 3.47Å; V597-A643 HydrophobicContact CG2-CB 3.85Å; A643-Y651 CarbonylContact O-C 3.53Å; A643-Y651 WeakPolarHBondContact O-CA 3.16Å; A643-Y651 WeakPolarHBondContact O-CB 3.49Å; A643-R652 HydrophobicContact CB-CB 4.47Å; A643-R652 PolarHBondContact N-O 3.44Å; A643-R652 PolarHBondContact O-N 3.27Å; A643-I654 HydrophobicContact CB-CD1 3.93Å; A643-I654 HydrophobicContact CB-CG1 3.96Å |
| 644 | V | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.3 | 178.4 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | W572 K573 I575 L621 F649 | W572-V644 WeakPolarHBondContact CB-O 3.46Å; W572-V644 VanDerWaalsContact CE3-C 3.44Å; K573-V644 HydrophobicContact CB-CB 4.28Å; K573-V644 PolarHBondContact N-O 3.15Å; K573-V644 PolarHBondContact O-N 3.4Å; I575-V644 HydrophobicContact CG1-CG2 3.86Å; L621-V644 HydrophobicContact CD1-CG2 3.69Å; L621-V644 HydrophobicContact CD2-CG2 4.35Å; V644-F649 HydrophobicContact CG1-CD2 4.42Å |
| 645 | N | 90.8 | Very high | 89.8 | Confident | 15 Ų | 15 | 28.9 Ų | 28.9 | 8% | 0.08 | 13% | 0.131 | C | C | . | . | trans | -67.8 | 127.5 | 178.5 | -173.3 | -45.6 | 0 | 0 | 0 | 109.5 | W572 E647 R648 E650 | W572-N645 HydrophobicContact CD2-CB 4.01Å; W572-N645 HydrophobicContact CE3-CB 3.81Å; W572-N645 HydrophobicContact CH2-CB 3.67Å; W572-N645 HydrophobicContact CZ2-CB 3.86Å; W572-N645 WeakPolarHBondContact CZ2-ND2 3.4Å; W572-N645 HydrophobicContact CZ3-CB 3.64Å; N645-E647 VanDerWaalsContact C-N 3.27Å; N645-E647 PolarHBondContact O-N 2.83Å; N645-E647 PolarHBondContact OD1-N 2.7Å; N645-R648 HydrophobicContact CB-CG 4.23Å; N645-R648 WeakPolarHBondContact CB-O 3.37Å; N645-R648 PolarHBondContact OD1-N 2.99Å; N645-E650 HydrophobicContact CB-CB 4.09Å; N645-E650 WeakPolarHBondContact CB-O 3.03Å; N645-E650 PolarHBondContact N-O 3.37Å | ||
| 646 | P | 86.2 | Confident | 89.9 | Confident | 48 Ų | 48 | 28.2 Ų | 28.2 | 31% | 0.312 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -75.2 | -13.9 | -176.1 | 29.5 | -35 | 0 | 0 | 0 | 113.7 | W100 K573 | W100-P646 WeakPolarHBondContact CB-O 3.25Å; K573-P646 HydrophobicContact CG-CB 4.38Å |
| 647 | E | 83.4 | Confident | 89.8 | Confident | 141 Ų | 141 | 29.2 Ų | 29.2 | 66% | 0.659 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -106.3 | -15.3 | -172.9 | -60.2 | -178.4 | 169.4 | 0 | 0 | 114.2 | W100 N645 | W100-E647 VanDerWaalsContact CD2-O 3.3Å; N645-E647 VanDerWaalsContact C-N 3.27Å; N645-E647 PolarHBondContact O-N 2.83Å; N645-E647 PolarHBondContact OD1-N 2.7Å |
| 648 | R | 83.6 | Confident | 89.7 | Confident | 133 Ų | 133 | 29.3 Ų | 29.3 | 50% | 0.502 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -156.7 | 154.6 | 179.3 | 66.3 | -174.1 | 74.7 | 156.1 | 3.1 | 108.8 | W100 N645 E650 | W100-R648 HydrophobicContact CH2-CB 4.47Å; N645-R648 HydrophobicContact CB-CG 4.23Å; N645-R648 WeakPolarHBondContact CB-O 3.37Å; N645-R648 PolarHBondContact OD1-N 2.99Å; R648-E650 VanDerWaalsContact C-N 3.3Å; R648-E650 HydrophobicContact CG-CB 4.12Å; R648-E650 PolarHBondContact O-N 3.37Å |
| 649 | F | 82.2 | Confident | 89.5 | Confident | 56 Ų | 56 | 30.3 Ų | 30.3 | 25% | 0.246 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -78.6 | 83.6 | 178.6 | -174.7 | -140.2 | 0 | 0 | 0 | 112.1 | W100 Q616 E617 K620 V644 Y651 | W100-F649 HydrophobicContact CZ2-CB 3.85Å; Q616-F649 HydrophobicContact CG-CE1 4.5Å; E617-F649 HydrophobicContact CB-CD2 4.4Å; E617-F649 HydrophobicContact CB-CE2 3.99Å; E617-F649 HydrophobicContact CB-CZ 4.39Å; E617-F649 HydrophobicContact CG-CD2 3.5Å; E617-F649 HydrophobicContact CG-CE2 3.59Å; E617-F649 HydrophobicContact CG-CG 4.03Å; E617-F649 HydrophobicContact CG-CZ 4.16Å; K620-F649 HydrophobicContact CB-CE1 3.96Å; K620-F649 HydrophobicContact CB-CZ 3.66Å; K620-F649 HydrophobicContact CG-CE1 3.78Å; K620-F649 HydrophobicContact CG-CZ 3.56Å; V644-F649 HydrophobicContact CG1-CD2 4.42Å; F649-Y651 HydrophobicContact CE2-CD1 4.41Å; F649-Y651 HydrophobicContact CZ-CD1 4.44Å |
| 650 | E | 89.7 | Confident | 89.2 | Confident | 58 Ų | 58 | 30.4 Ų | 30.4 | 27% | 0.271 | 14% | 0.138 | S | C | . | . | trans | -131 | 129.9 | 173.3 | -179.6 | 178.3 | -168.9 | 0 | 0 | 108.1 | W572 N645 R648 R652 | W572-E650 HydrophobicContact CH2-CB 4.34Å; W572-E650 HydrophobicContact CH2-CG 3.89Å; W572-E650 HydrophobicContact CZ3-CG 4.27Å; W572-E650 WeakPolarHBondContact CZ3-O 3.08Å; N645-E650 HydrophobicContact CB-CB 4.09Å; N645-E650 WeakPolarHBondContact CB-O 3.03Å; N645-E650 PolarHBondContact N-O 3.37Å; R648-E650 VanDerWaalsContact C-N 3.3Å; R648-E650 HydrophobicContact CG-CB 4.12Å; R648-E650 PolarHBondContact O-N 3.37Å; E650-R652 IonicContact OE1-CZ 3.02Å; E650-R652 IonicContact OE1-NH1 3.16Å; E650-R652 PolarHBondContact OE1-NH1 3.09Å; E650-R652 IonicContact OE1-NH2 2.75Å; E650-R652 PolarHBondContact OE1-NH2 2.99Å | ||
| 651 | Y | 94.2 | Very high | 88.6 | Confident | 23 Ų | 23 | 31 Ų | 31 | 9% | 0.09 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 162 | 178.6 | 73.8 | -88.1 | 0 | 0 | 0 | 112.3 | E502 P503 K620 L621 F642 A643 F649 | E502-Y651 WeakPolarHBondContact OE2-CE2 3.18Å; E502-Y651 PolarHBondContact OE2-OH 3.34Å; P503-Y651 HydrophobicContact CG-CD2 4.17Å; P503-Y651 HydrophobicContact CG-CE2 3.85Å; P503-Y651 WeakPolarHBondContact CG-O 3.34Å; K620-Y651 HydrophobicContact CG-CE1 4.3Å; L621-Y651 HydrophobicContact CD2-CD1 4.11Å; L621-Y651 HydrophobicContact CD2-CD2 3.83Å; L621-Y651 HydrophobicContact CD2-CE2 4.43Å; L621-Y651 HydrophobicContact CD2-CG 3.65Å; F642-Y651 AromaticContact CD1-CD2 3.83Å; F642-Y651 HydrophobicContact CD1-CD2 3.83Å; F642-Y651 HydrophobicContact CD1-CE2 4.24Å; F642-Y651 HydrophobicContact CE1-CD2 4.2Å; F642-Y651 HydrophobicContact CE1-CE2 4.13Å; A643-Y651 CarbonylContact O-C 3.53Å; A643-Y651 WeakPolarHBondContact O-CA 3.16Å; A643-Y651 WeakPolarHBondContact O-CB 3.49Å; F649-Y651 HydrophobicContact CE2-CD1 4.41Å; F649-Y651 HydrophobicContact CZ-CD1 4.44Å |
| 652 | R | 93 | Very high | 87.9 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.4 | 170.6 | -66.2 | -62.2 | -175.3 | -78.5 | -6.9 | 110.6 | P503 L569 W572 F642 A643 E650 I654 | P503-R652 CarbonylContact O-C 3.5Å; P503-R652 WeakPolarHBondContact O-CA 3.16Å; P503-R652 WeakPolarHBondContact O-CD 3.28Å; L569-R652 HydrophobicContact CD1-CB 3.88Å; L569-R652 HydrophobicContact CD1-CG 4.15Å; L569-R652 HydrophobicContact CD2-CG 4.46Å; W572-R652 HydrophobicContact CZ3-CG 4.35Å; F642-R652 CarbonylContact C-O 3.53Å; F642-R652 WeakPolarHBondContact CA-O 3.47Å; A643-R652 HydrophobicContact CB-CB 4.47Å; A643-R652 PolarHBondContact N-O 3.44Å; A643-R652 PolarHBondContact O-N 3.27Å; E650-R652 IonicContact OE1-CZ 3.02Å; E650-R652 IonicContact OE1-NH1 3.16Å; E650-R652 PolarHBondContact OE1-NH1 3.09Å; E650-R652 IonicContact OE1-NH2 2.75Å; E650-R652 PolarHBondContact OE1-NH2 2.99Å; R652-I654 PolarHBondContact O-N 3.41Å |
| 653 | V | 92.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.9 | 168.5 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | F493 M497 E502 P503 V504 I628 V640 F642 | F493-V653 HydrophobicContact CE1-CG1 4.31Å; F493-V653 HydrophobicContact CZ-CG1 3.74Å; M497-V653 HydrophobicContact SD-CG1 4.44Å; E502-V653 HydrophobicContact CB-CG2 4.22Å; P503-V653 PolarHBondContact O-N 3.29Å; V504-V653 HydrophobicContact CG1-CB 4.26Å; I628-V653 HydrophobicContact CD1-CG1 4.08Å; I628-V653 HydrophobicContact CD1-CG2 3.72Å; V640-V653 HydrophobicContact CG1-CG1 4.4Å; F642-V653 HydrophobicContact CD1-CG2 4.22Å; F642-V653 HydrophobicContact CE1-CG2 3.93Å |
| 654 | I | 86.9 | Confident | 86.6 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -52.9 | 179.3 | -60.6 | 177.6 | 0 | 0 | 0 | 109.6 | R530 E574 V597 Q641 A643 R652 | R530-I654 PolarHBondContact NH1-O 3.48Å; E574-I654 HydrophobicContact CG-CD1 4.01Å; V597-I654 HydrophobicContact CG2-CD1 4.14Å; Q641-I654 HydrophobicContact CB-CB 4.01Å; Q641-I654 HydrophobicContact CB-CD1 4.46Å; Q641-I654 WeakPolarHBondContact O-CB 3.36Å; Q641-I654 PolarHBondContact O-N 3.5Å; A643-I654 HydrophobicContact CB-CD1 3.93Å; A643-I654 HydrophobicContact CB-CG1 3.96Å; R652-I654 PolarHBondContact O-N 3.41Å |
| 655 | E | 87.3 | Confident | 85.8 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 15% | 0.145 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 164.9 | -179 | 64.3 | 177.6 | -159.4 | 0 | 0 | 112.5 | R490 Q641 N657 | R490-E655 IonicContact CZ-OE2 3.33Å; R490-E655 IonicContact NH1-OE2 3.4Å; R490-E655 PolarHBondContact NH1-OE2 3.45Å; R490-E655 IonicContact NH2-OE2 3.23Å; R490-E655 PolarHBondContact NH2-OE2 2.9Å; Q641-E655 HydrophobicContact CB-CG 4.14Å; Q641-E655 HydrophobicContact CG-CG 4.09Å; Q641-E655 PolarHBondContact N-O 3.4Å; Q641-E655 PolarHBondContact NE2-OE1 3.48Å; Q641-E655 PolarHBondContact OE1-OE1 3.23Å; E655-N657 PolarHBondContact OE1-ND2 3.4Å |
| 656 | V | 90.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.9 | 167.5 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | T487 F493 I628 L632 I634 N639 V640 | T487-V656 WeakPolarHBondContact CB-O 3.31Å; T487-V656 HydrophobicContact CG2-CB 4.1Å; T487-V656 HydrophobicContact CG2-CG1 3.97Å; F493-V656 HydrophobicContact CE2-CB 3.85Å; F493-V656 HydrophobicContact CE2-CG2 3.53Å; F493-V656 HydrophobicContact CZ-CB 4.42Å; F493-V656 HydrophobicContact CZ-CG2 3.85Å; I628-V656 HydrophobicContact CG2-CG2 3.51Å; L632-V656 HydrophobicContact CD1-CB 4.22Å; L632-V656 HydrophobicContact CD1-CG1 4.02Å; L632-V656 HydrophobicContact CD1-CG2 4.12Å; I634-V656 HydrophobicContact CD1-CG1 3.87Å; N639-V656 CarbonylContact O-C 3.51Å; N639-V656 WeakPolarHBondContact O-CA 3.48Å; V640-V656 HydrophobicContact CB-CG2 4.49Å; V640-V656 HydrophobicContact CG1-CG2 4.11Å; V640-V656 HydrophobicContact CG2-CG1 4.43Å; V640-V656 HydrophobicContact CG2-CG2 4.15Å |
| 657 | N | 88 | Confident | 85.2 | Confident | 21 Ų | 21 | 32.3 Ų | 32.3 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 99.8 | 172.4 | -67.3 | -66 | 0 | 0 | 0 | 108.1 | C638 N639 Q641 E655 R659 | C638-N657 WeakPolarHBondContact CA-O 3.38Å; C638-N657 WeakPolarHBondContact CB-O 3.35Å; N639-N657 HydrophobicContact CB-CB 4.31Å; N639-N657 PolarHBondContact N-O 3.45Å; N639-N657 PolarHBondContact O-N 3.09Å; Q641-N657 PolarHBondContact NE2-ND2 3Å; E655-N657 PolarHBondContact OE1-ND2 3.4Å; N657-R659 PolarHBondContact O-N 2.78Å |
| 658 | A | 88.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | trans | -76.3 | 44.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T479 T487 I634 | T479-A658 HydrophobicContact CG2-CB 4.18Å; T487-A658 HydrophobicContact CG2-CB 3.96Å; I634-A658 HydrophobicContact CD1-CB 3.73Å; I634-A658 HydrophobicContact CG1-CB 4.08Å | ||
| 659 | R | 86.9 | Confident | 85.2 | Confident | 21 Ų | 21 | 19.6 Ų | 19.6 | 8% | 0.079 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -164.1 | 166.2 | 179.4 | 59 | 157.5 | 173.7 | 88.9 | 7.4 | 110.9 | S450 G452 L457 E637 N657 S661 | S450-R659 WeakPolarHBondContact O-CB 3.25Å; G452-R659 VanDerWaalsContact O-CD 3.23Å; G452-R659 WeakPolarHBondContact O-CD 3.36Å; L457-R659 VanDerWaalsContact CD1-CD 3.43Å; L457-R659 HydrophobicContact CD1-CG 4.03Å; L457-R659 VanDerWaalsContact CD1-NE 3.35Å; E637-R659 VanDerWaalsContact OE2-C 3.26Å; N657-R659 PolarHBondContact O-N 2.78Å; R659-S661 PolarHBondContact O-N 3.3Å |
| 660 | L | 84.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | trans | -57 | 125.2 | 168.4 | -69.2 | 160.6 | 0 | 0 | 0 | 110.3 | Y390 S450 F451 E637 L675 A676 | Y390-L660 HydrophobicContact CD2-CB 4.3Å; Y390-L660 HydrophobicContact CE2-CB 4.39Å; Y390-L660 HydrophobicContact CG-CD1 4.44Å; S450-L660 PolarHBondContact O-N 3Å; F451-L660 HydrophobicContact CD1-CD1 3.43Å; F451-L660 VanDerWaalsContact CD1-CD1 3.43Å; F451-L660 HydrophobicContact CE1-CD1 3.61Å; F451-L660 HydrophobicContact CG-CD1 4.31Å; E637-L660 HydrophobicContact CB-CD2 4.22Å; E637-L660 HydrophobicContact CG-CD2 4.07Å; E637-L660 WeakPolarHBondContact OE2-CA 3.4Å; E637-L660 WeakPolarHBondContact OE2-CD2 3.28Å; E637-L660 WeakPolarHBondContact OE2-CG 3.48Å; E637-L660 PolarHBondContact OE2-N 2.8Å; E637-L660 VanDerWaalsContact OE2-N 3.1Å; L660-L675 HydrophobicContact CD2-CB 4.26Å; L660-A676 HydrophobicContact CD1-CB 3.71Å; L660-A676 HydrophobicContact CD2-CB 4.3Å | ||
| 661 | S | 80.2 | Confident | 85.2 | Confident | 11 Ų | 11 | 14.5 Ų | 14.5 | 8% | 0.077 | 7% | 0.068 | C | C | . | . | trans | -105.6 | -162.6 | -177.4 | 78.6 | 0 | 0 | 0 | 0 | 110.7 | Y390 R659 S663 S664 | Y390-S661 WeakPolarHBondContact CE2-O 3.29Å; Y390-S661 PolarHBondContact OH-O 3.43Å; R659-S661 PolarHBondContact O-N 3.3Å; S661-S663 WeakPolarHBondContact OG-CB 3.45Å; S661-S663 PolarHBondContact OG-N 3.49Å; S661-S663 VanDerWaalsContact OG-N 3.09Å; S661-S664 PolarHBondContact N-OG 3.06Å; S661-S664 PolarHBondContact OG-N 3.19Å; S661-S664 VanDerWaalsContact OG-N 3.15Å; S661-S664 PolarHBondContact OG-OG 2.8Å | ||
| 662 | R | 76 | Confident | 84.6 | Confident | 66 Ų | 66 | 13.4 Ų | 13.4 | 25% | 0.249 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -83.5 | -34.5 | 164 | -93.8 | -175 | 170.2 | 173.7 | -12.1 | 111.2 | Y390 S664 A665 L666 M733 E957 | Y390-R662 PolarHBondContact OH-O 3.45Å; R662-S664 PolarHBondContact O-N 3.02Å; R662-A665 PolarHBondContact O-N 3.27Å; R662-A665 VanDerWaalsContact O-N 3.1Å; R662-L666 PolarHBondContact O-N 3.03Å; R662-M733 PolarHBondContact NH1-SD 3.06Å; R662-E957 IonicContact CZ-OE1 3.26Å; R662-E957 IonicContact CZ-OE2 3.9Å; R662-E957 IonicContact NE-OE2 2.71Å; R662-E957 PolarHBondContact NE-OE2 3.13Å; R662-E957 IonicContact NH2-OE1 3.12Å; R662-E957 PolarHBondContact NH2-OE1 3.32Å; R662-E957 IonicContact NH2-OE2 2.77Å; R662-E957 PolarHBondContact NH2-OE2 2.93Å |
| 663 | S | 78.8 | Confident | 84.3 | Confident | 17 Ų | 17 | 10.5 Ų | 10.5 | 12% | 0.119 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.6 | -34.2 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | E576 E578 S661 A665 L666 A667 | E576-S663 WeakPolarHBondContact OE2-CB 3.44Å; E576-S663 PolarHBondContact OE2-OG 3.26Å; E578-S663 WeakPolarHBondContact OE1-CB 3.43Å; S661-S663 WeakPolarHBondContact OG-CB 3.45Å; S661-S663 PolarHBondContact OG-N 3.49Å; S661-S663 VanDerWaalsContact OG-N 3.09Å; S663-A665 VanDerWaalsContact C-N 3.33Å; S663-A665 PolarHBondContact O-N 3.4Å; S663-L666 CarbonylContact O-C 3.6Å; S663-L666 WeakPolarHBondContact O-CB 3.39Å; S663-L666 PolarHBondContact O-N 3.48Å; S663-A667 WeakPolarHBondContact O-CB 3.37Å; S663-A667 PolarHBondContact O-N 2.57Å |
| 664 | S | 81.2 | Confident | 84 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.8 | -36.2 | 175.1 | -42.2 | 0 | 0 | 0 | 0 | 113.5 | E578 E637 S661 R662 S668 L675 | E578-S664 PolarHBondContact OE1-N 3.39Å; E578-S664 PolarHBondContact OE2-OG 2.77Å; E637-S664 WeakPolarHBondContact OE1-CB 3.44Å; E637-S664 PolarHBondContact OE1-OG 3.26Å; S661-S664 PolarHBondContact N-OG 3.06Å; S661-S664 PolarHBondContact OG-N 3.19Å; S661-S664 VanDerWaalsContact OG-N 3.15Å; S661-S664 PolarHBondContact OG-OG 2.8Å; R662-S664 PolarHBondContact O-N 3.02Å; S664-S668 WeakPolarHBondContact O-CB 3.44Å; S664-S668 PolarHBondContact O-N 2.88Å; S664-S668 PolarHBondContact O-OG 3.3Å; S664-L675 WeakPolarHBondContact O-CD1 3.47Å |
| 665 | A | 76.9 | Confident | 84 | Confident | 4 Ų | 4 | 10.6 Ų | 10.6 | 3% | 0.033 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -73.7 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y390 R662 S663 A667 S668 K669 | Y390-A665 VanDerWaalsContact CE1-CA 3.44Å; Y390-A665 HydrophobicContact CE1-CB 3.41Å; Y390-A665 VanDerWaalsContact CE1-CB 3.41Å; Y390-A665 WeakPolarHBondContact OH-CA 3.2Å; Y390-A665 WeakPolarHBondContact OH-CB 3.11Å; Y390-A665 PolarHBondContact OH-N 3.01Å; R662-A665 PolarHBondContact O-N 3.27Å; R662-A665 VanDerWaalsContact O-N 3.1Å; S663-A665 VanDerWaalsContact C-N 3.33Å; S663-A665 PolarHBondContact O-N 3.4Å; A665-A667 VanDerWaalsContact C-N 3.29Å; A665-A667 PolarHBondContact O-N 3.03Å; A665-S668 PolarHBondContact O-N 2.58Å; A665-K669 VanDerWaalsContact O-CB 3.3Å; A665-K669 WeakPolarHBondContact O-CB 3.31Å; A665-K669 WeakPolarHBondContact O-CD 3.4Å; A665-K669 WeakPolarHBondContact O-CG 3.34Å; A665-K669 PolarHBondContact O-N 2.95Å |
| 666 | L | 79.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 9.1 Ų | 9.1 | 4% | 0.042 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 174.5 | -177 | 70.2 | 0 | 0 | 0 | 109.9 | M591 V606 R662 S663 K669 A670 K713 M740 P956 | M591-L666 HydrophobicContact SD-CD2 4.03Å; M591-L666 HydrophobicContact SD-CG 4.37Å; V606-L666 HydrophobicContact CB-CD2 4.29Å; V606-L666 HydrophobicContact CG1-CD2 4.17Å; R662-L666 PolarHBondContact O-N 3.03Å; S663-L666 CarbonylContact O-C 3.6Å; S663-L666 WeakPolarHBondContact O-CB 3.39Å; S663-L666 PolarHBondContact O-N 3.48Å; L666-K669 CarbonylContact O-C 3.59Å; L666-K669 PolarHBondContact O-N 2.81Å; L666-A670 WeakPolarHBondContact O-CB 3.48Å; L666-A670 PolarHBondContact O-N 3.24Å; L666-K713 HydrophobicContact CD1-CB 3.77Å; L666-K713 HydrophobicContact CD1-CG 3.97Å; L666-K713 HydrophobicContact CD2-CB 3.73Å; L666-K713 HydrophobicContact CD2-CD 3.94Å; L666-K713 HydrophobicContact CD2-CG 4.09Å; L666-K713 HydrophobicContact CG-CB 4.4Å; L666-M740 HydrophobicContact CD1-CB 4.34Å; L666-M740 HydrophobicContact CD1-CG 3.99Å; L666-M740 HydrophobicContact CD1-SD 3.61Å; L666-P956 HydrophobicContact CD1-CB 4.36Å |
| 667 | A | 84.5 | Confident | 83.8 | Confident | 5 Ų | 5 | 11.7 Ų | 11.7 | 4% | 0.041 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E578 M591 S663 A665 K669 A670 T671 L675 | E578-A667 HydrophobicContact CB-CB 4.29Å; E578-A667 HydrophobicContact CG-CB 3.71Å; M591-A667 HydrophobicContact CE-CB 3.88Å; M591-A667 HydrophobicContact SD-CB 4Å; S663-A667 WeakPolarHBondContact O-CB 3.37Å; S663-A667 PolarHBondContact O-N 2.57Å; A665-A667 VanDerWaalsContact C-N 3.29Å; A665-A667 PolarHBondContact O-N 3.03Å; A667-K669 PolarHBondContact O-N 3.48Å; A667-A670 PolarHBondContact O-N 3.33Å; A667-T671 WeakPolarHBondContact O-CB 3.3Å; A667-T671 WeakPolarHBondContact O-CG2 3.19Å; A667-T671 PolarHBondContact O-N 3.34Å; A667-T671 PolarHBondContact O-OG1 2.84Å; A667-L675 HydrophobicContact CB-CD1 4.26Å |
| 668 | S | 84.8 | Confident | 83.8 | Confident | 6 Ų | 6 | 10.7 Ų | 10.7 | 4% | 0.042 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.6 | -34.8 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | S664 A665 G672 Y673 L675 | S664-S668 WeakPolarHBondContact O-CB 3.44Å; S664-S668 PolarHBondContact O-N 2.88Å; S664-S668 PolarHBondContact O-OG 3.3Å; A665-S668 PolarHBondContact O-N 2.58Å; S668-G672 CarbonylContact O-C 3.44Å; S668-G672 WeakPolarHBondContact O-CA 3.35Å; S668-G672 PolarHBondContact O-N 2.91Å; S668-Y673 WeakPolarHBondContact CA-O 3.34Å; S668-Y673 WeakPolarHBondContact CB-O 3.32Å; S668-Y673 PolarHBondContact O-N 3.4Å; S668-Y673 PolarHBondContact OG-O 3.11Å; S668-L675 VanDerWaalsContact OG-CB 3.3Å; S668-L675 WeakPolarHBondContact OG-CB 3.33Å; S668-L675 WeakPolarHBondContact OG-CD1 3.5Å; S668-L675 VanDerWaalsContact OG-CG 3.24Å; S668-L675 WeakPolarHBondContact OG-CG 3.17Å; S668-L675 PolarHBondContact OG-N 3.43Å |
| 669 | K | 82.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -87.5 | -33.1 | -178.3 | -70.1 | 172.8 | -171 | -157.2 | 0 | 113.6 | A665 L666 A667 M740 Y896 P956 T958 S960 | A665-K669 VanDerWaalsContact O-CB 3.3Å; A665-K669 WeakPolarHBondContact O-CB 3.31Å; A665-K669 WeakPolarHBondContact O-CD 3.4Å; A665-K669 WeakPolarHBondContact O-CG 3.34Å; A665-K669 PolarHBondContact O-N 2.95Å; L666-K669 CarbonylContact O-C 3.59Å; L666-K669 PolarHBondContact O-N 2.81Å; A667-K669 PolarHBondContact O-N 3.48Å; K669-M740 HydrophobicContact CB-CE 3.74Å; K669-M740 HydrophobicContact CB-SD 4.03Å; K669-Y896 VanDerWaalsContact O-CE1 3.26Å; K669-Y896 WeakPolarHBondContact O-CE1 3.36Å; K669-Y896 PolarHBondContact O-OH 3.46Å; K669-Y896 VanDerWaalsContact O-OH 3.05Å; K669-P956 VanDerWaalsContact CD-CA 3.49Å; K669-P956 HydrophobicContact CD-CB 3.89Å; K669-P956 WeakPolarHBondContact CD-O 3.49Å; K669-P956 WeakPolarHBondContact CE-O 3.23Å; K669-P956 PolarHBondContact NZ-O 3.09Å; K669-T958 VanDerWaalsContact NZ-N 3.16Å; K669-T958 PolarHBondContact NZ-O 3.11Å; K669-S960 VanDerWaalsContact CE-OG 3.31Å; K669-S960 WeakPolarHBondContact CE-OG 3.47Å; K669-S960 PolarHBondContact NZ-OG 2.84Å |
| 670 | A | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -68.3 | -31.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A608 L666 A667 Y709 V711 | A608-A670 HydrophobicContact CB-CB 4.06Å; L666-A670 WeakPolarHBondContact O-CB 3.48Å; L666-A670 PolarHBondContact O-N 3.24Å; A667-A670 PolarHBondContact O-N 3.33Å; A670-Y709 WeakPolarHBondContact O-CE2 3.31Å; A670-Y709 PolarHBondContact O-OH 2.88Å; A670-V711 HydrophobicContact CB-CB 3.95Å; A670-V711 HydrophobicContact CB-CG1 3.85Å; A670-V711 HydrophobicContact CB-CG2 3.91Å |
| 671 | T | 85.8 | Confident | 84 | Confident | 6 Ų | 6 | 9.5 Ų | 9.5 | 4% | 0.037 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -103.3 | -28.1 | -177.2 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | A667 Y673 P705 M707 T885 | A667-T671 WeakPolarHBondContact O-CB 3.3Å; A667-T671 WeakPolarHBondContact O-CG2 3.19Å; A667-T671 PolarHBondContact O-N 3.34Å; A667-T671 PolarHBondContact O-OG1 2.84Å; T671-Y673 VanDerWaalsContact C-N 3.32Å; T671-Y673 WeakPolarHBondContact OG1-CB 3.29Å; T671-Y673 PolarHBondContact OG1-N 2.99Å; T671-Y673 VanDerWaalsContact OG1-N 3.15Å; T671-P705 HydrophobicContact CG2-CB 3.55Å; T671-P705 HydrophobicContact CG2-CG 3.94Å; T671-M707 HydrophobicContact CG2-CE 4.31Å; T671-M707 HydrophobicContact CG2-SD 4.12Å; T671-T885 WeakPolarHBondContact O-CG2 3.26Å |
| 672 | G | 82.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | 87.9 | -5.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S668 V695 Y963 | S668-G672 CarbonylContact O-C 3.44Å; S668-G672 WeakPolarHBondContact O-CA 3.35Å; S668-G672 PolarHBondContact O-N 2.91Å; G672-V695 WeakPolarHBondContact O-CG2 3.39Å; G672-Y963 PolarHBondContact O-OH 3.41Å | ||
| 673 | Y | 86.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 6.2 Ų | 6.2 | 0% | 0.004 | 3% | 0.034 | C | C | . | . | trans | -78.8 | 119 | -178 | -166.7 | -78.7 | 0 | 0 | 0 | 111.1 | V580 I588 S668 T671 L675 V678 C701 F703 P705 | V580-Y673 HydrophobicContact CG2-CE1 4.49Å; I588-Y673 HydrophobicContact CD1-CE1 4.48Å; I588-Y673 HydrophobicContact CD1-CE2 4.17Å; I588-Y673 WeakPolarHBondContact CD1-OH 3.43Å; S668-Y673 WeakPolarHBondContact CA-O 3.34Å; S668-Y673 WeakPolarHBondContact CB-O 3.32Å; S668-Y673 PolarHBondContact O-N 3.4Å; S668-Y673 PolarHBondContact OG-O 3.11Å; T671-Y673 VanDerWaalsContact C-N 3.32Å; T671-Y673 WeakPolarHBondContact OG1-CB 3.29Å; T671-Y673 PolarHBondContact OG1-N 2.99Å; T671-Y673 VanDerWaalsContact OG1-N 3.15Å; Y673-L675 HydrophobicContact CD1-CD2 3.66Å; Y673-L675 HydrophobicContact CD1-CG 4.25Å; Y673-L675 HydrophobicContact CE1-CD2 3.98Å; Y673-L675 PolarHBondContact O-N 2.98Å; Y673-V678 HydrophobicContact CE1-CB 4.18Å; Y673-V678 HydrophobicContact CE1-CG1 4.38Å; Y673-V678 HydrophobicContact CE1-CG2 3.77Å; Y673-C701 HydrophobicContact CE2-CB 4.42Å; Y673-C701 VanDerWaalsContact CE2-O 3.25Å; Y673-C701 WeakPolarHBondContact CE2-O 3.5Å; Y673-C701 WeakPolarHBondContact OH-CB 3.3Å; Y673-C701 PolarHBondContact OH-O 3.24Å; Y673-F703 HydrophobicContact CD2-CE1 4.1Å; Y673-F703 HydrophobicContact CD2-CE2 4.3Å; Y673-F703 AromaticContact CD2-CZ 3.74Å; Y673-F703 HydrophobicContact CD2-CZ 3.74Å; Y673-F703 HydrophobicContact CE2-CD1 4.37Å; Y673-F703 AromaticContact CE2-CE1 3.82Å; Y673-F703 HydrophobicContact CE2-CE1 3.82Å; Y673-F703 AromaticContact CE2-CZ 3.94Å; Y673-F703 HydrophobicContact CE2-CZ 3.94Å; Y673-P705 HydrophobicContact CD2-CG 4.08Å; Y673-P705 HydrophobicContact CG-CG 4.23Å | ||
| 674 | P | 85.2 | Confident | 85 | Confident | 7 Ų | 7 | 6 Ų | 6 | 5% | 0.045 | 3% | 0.031 | C | C | . | . | trans | -83.2 | 77.2 | -170.6 | 35.6 | -37.7 | 0 | 0 | 0 | 112.2 | A676 Y677 V678 | P674-A676 VanDerWaalsContact C-N 3.31Å; P674-A676 PolarHBondContact O-N 2.78Å; P674-Y677 HydrophobicContact CG-CD1 4.42Å; P674-Y677 WeakPolarHBondContact O-CB 3.43Å; P674-Y677 PolarHBondContact O-N 3.14Å; P674-Y677 VanDerWaalsContact O-N 3.1Å; P674-V678 HydrophobicContact CG-CG2 4.34Å; P674-V678 PolarHBondContact O-N 2.79Å | ||
| 675 | L | 87 | Confident | 85 | Confident | 8 Ų | 8 | 6.8 Ų | 6.8 | 4% | 0.042 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -53.2 | -42.5 | -172.2 | -65.3 | 175 | 0 | 0 | 0 | 113.4 | E578 V580 E637 L660 S664 A667 S668 Y673 V678 A679 | E578-L675 HydrophobicContact CB-CD1 4.49Å; V580-L675 HydrophobicContact CG2-CD2 3.26Å; E637-L675 HydrophobicContact CG-CB 4.4Å; E637-L675 HydrophobicContact CG-CD1 4.37Å; E637-L675 HydrophobicContact CG-CD2 4.46Å; L660-L675 HydrophobicContact CD2-CB 4.26Å; S664-L675 WeakPolarHBondContact O-CD1 3.47Å; A667-L675 HydrophobicContact CB-CD1 4.26Å; S668-L675 VanDerWaalsContact OG-CB 3.3Å; S668-L675 WeakPolarHBondContact OG-CB 3.33Å; S668-L675 WeakPolarHBondContact OG-CD1 3.5Å; S668-L675 VanDerWaalsContact OG-CG 3.24Å; S668-L675 WeakPolarHBondContact OG-CG 3.17Å; S668-L675 PolarHBondContact OG-N 3.43Å; Y673-L675 HydrophobicContact CD1-CD2 3.66Å; Y673-L675 HydrophobicContact CD1-CG 4.25Å; Y673-L675 HydrophobicContact CE1-CD2 3.98Å; Y673-L675 PolarHBondContact O-N 2.98Å; L675-V678 PolarHBondContact O-N 2.9Å; L675-A679 WeakPolarHBondContact O-CB 3.42Å; L675-A679 PolarHBondContact O-N 3.33Å |
| 676 | A | 86.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -73.7 | -32.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y390 Q393 F451 L660 P674 A680 | Y390-A676 HydrophobicContact CD1-CB 3.96Å; Y390-A676 HydrophobicContact CG-CB 4.24Å; Q393-A676 HydrophobicContact CB-CB 4.34Å; F451-A676 WeakPolarHBondContact CE1-O 3.47Å; L660-A676 HydrophobicContact CD1-CB 3.71Å; L660-A676 HydrophobicContact CD2-CB 4.3Å; P674-A676 VanDerWaalsContact C-N 3.31Å; P674-A676 PolarHBondContact O-N 2.78Å; A676-A680 WeakPolarHBondContact O-CB 3.27Å; A676-A680 PolarHBondContact O-N 3.16Å |
| 677 | Y | 86.8 | Confident | 85.6 | Confident | 56 Ų | 56 | 8.6 Ų | 8.6 | 22% | 0.22 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.4 | -51.3 | 171.1 | 174.2 | -87.1 | 0 | 0 | 0 | 109.9 | S397 E400 P674 A680 K681 | S397-Y677 PolarHBondContact OG-O 3.49Å; E400-Y677 WeakPolarHBondContact OE2-CE2 3.14Å; E400-Y677 PolarHBondContact OE2-OH 3.38Å; P674-Y677 HydrophobicContact CG-CD1 4.42Å; P674-Y677 WeakPolarHBondContact O-CB 3.43Å; P674-Y677 PolarHBondContact O-N 3.14Å; P674-Y677 VanDerWaalsContact O-N 3.1Å; Y677-A680 PolarHBondContact O-N 3.47Å; Y677-K681 HydrophobicContact CE1-CG 4.24Å; Y677-K681 VanDerWaalsContact CZ-CE 3.5Å; Y677-K681 PolarHBondContact O-N 3.04Å; Y677-K681 VanDerWaalsContact OH-CE 3.31Å; Y677-K681 WeakPolarHBondContact OH-CE 3.3Å |
| 678 | V | 88.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.5 | -52.7 | -179.4 | 175.4 | 0 | 0 | 0 | 0 | 110 | V580 Y673 P674 L675 A680 K681 L682 L691 C701 | V580-V678 HydrophobicContact CG1-CG1 3.97Å; Y673-V678 HydrophobicContact CE1-CB 4.18Å; Y673-V678 HydrophobicContact CE1-CG1 4.38Å; Y673-V678 HydrophobicContact CE1-CG2 3.77Å; P674-V678 HydrophobicContact CG-CG2 4.34Å; P674-V678 PolarHBondContact O-N 2.79Å; L675-V678 PolarHBondContact O-N 2.9Å; V678-A680 PolarHBondContact O-N 2.88Å; V678-K681 WeakPolarHBondContact O-CB 3.49Å; V678-K681 PolarHBondContact O-N 2.72Å; V678-L682 HydrophobicContact CG1-CD1 3.94Å; V678-L682 HydrophobicContact CG1-CG 4.05Å; V678-L682 WeakPolarHBondContact O-CG 3.43Å; V678-L682 PolarHBondContact O-N 3.2Å; V678-L691 HydrophobicContact CG1-CD1 4.09Å; V678-C701 HydrophobicContact CG2-CB 4.47Å |
| 679 | A | 89.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.6 | -33.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F451 E637 L675 L682 A683 | F451-A679 HydrophobicContact CE1-CB 4.22Å; F451-A679 HydrophobicContact CZ-CB 3.85Å; E637-A679 HydrophobicContact CB-CB 4.04Å; L675-A679 WeakPolarHBondContact O-CB 3.42Å; L675-A679 PolarHBondContact O-N 3.33Å; A679-L682 PolarHBondContact O-N 3.19Å; A679-A683 VanDerWaalsContact O-CB 3.31Å; A679-A683 WeakPolarHBondContact O-CB 3.27Å; A679-A683 PolarHBondContact O-N 3.39Å |
| 680 | A | 87 | Confident | 86.1 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71.2 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A394 F451 A676 Y677 V678 A683 L684 | A394-A680 HydrophobicContact CB-CB 3.83Å; F451-A680 HydrophobicContact CE1-CB 4.04Å; F451-A680 VanDerWaalsContact CZ-CA 3.48Å; F451-A680 HydrophobicContact CZ-CB 3.81Å; A676-A680 WeakPolarHBondContact O-CB 3.27Å; A676-A680 PolarHBondContact O-N 3.16Å; Y677-A680 PolarHBondContact O-N 3.47Å; V678-A680 PolarHBondContact O-N 2.88Å; A680-A683 PolarHBondContact O-N 3.43Å; A680-L684 PolarHBondContact O-N 2.98Å |
| 681 | K | 88.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 171.6 | -63 | -66.2 | -173.9 | -178.3 | 0 | 111.2 | S397 E400 E401 Y677 V678 A683 L684 L686 L691 | S397-K681 PolarHBondContact O-NZ 2.95Å; S397-K681 WeakPolarHBondContact OG-CD 3.46Å; S397-K681 WeakPolarHBondContact OG-CE 3.44Å; S397-K681 VanDerWaalsContact OG-CG 3.27Å; S397-K681 WeakPolarHBondContact OG-CG 3.44Å; E400-K681 IonicContact OE2-NZ 2.81Å; E400-K681 PolarHBondContact OE2-NZ 2.98Å; E401-K681 HydrophobicContact CG-CD 3.89Å; E401-K681 IonicContact OE1-NZ 3.33Å; E401-K681 PolarHBondContact OE1-NZ 2.75Å; Y677-K681 HydrophobicContact CE1-CG 4.24Å; Y677-K681 VanDerWaalsContact CZ-CE 3.5Å; Y677-K681 PolarHBondContact O-N 3.04Å; Y677-K681 VanDerWaalsContact OH-CE 3.31Å; Y677-K681 WeakPolarHBondContact OH-CE 3.3Å; V678-K681 WeakPolarHBondContact O-CB 3.49Å; V678-K681 PolarHBondContact O-N 2.72Å; K681-A683 VanDerWaalsContact C-N 3.29Å; K681-A683 PolarHBondContact O-N 3.39Å; K681-L684 WeakPolarHBondContact O-CB 3.38Å; K681-L684 PolarHBondContact O-N 3.1Å; K681-L686 HydrophobicContact CB-CB 4.44Å; K681-L686 HydrophobicContact CB-CD1 3.84Å; K681-L686 HydrophobicContact CD-CD1 3.79Å; K681-L686 HydrophobicContact CG-CD1 4.3Å; K681-L686 WeakPolarHBondContact O-CB 3.28Å; K681-L686 PolarHBondContact O-N 3.3Å; K681-L691 HydrophobicContact CB-CD1 3.72Å; K681-L691 HydrophobicContact CB-CD2 3.89Å; K681-L691 HydrophobicContact CB-CG 4.49Å; K681-L691 HydrophobicContact CG-CD1 4.33Å; K681-L691 HydrophobicContact CG-CD2 4.04Å |
| 682 | L | 88.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.3 | -36.2 | 179.4 | -60.4 | -173.3 | 0 | 0 | 0 | 112.3 | V580 D582 V678 A679 L684 G685 L686 M688 L691 | V580-L682 HydrophobicContact CG1-CD1 3.37Å; D582-L682 HydrophobicContact CB-CD1 4.03Å; D582-L682 HydrophobicContact CB-CD2 3.61Å; D582-L682 HydrophobicContact CB-CG 4.23Å; V678-L682 HydrophobicContact CG1-CD1 3.94Å; V678-L682 HydrophobicContact CG1-CG 4.05Å; V678-L682 WeakPolarHBondContact O-CG 3.43Å; V678-L682 PolarHBondContact O-N 3.2Å; A679-L682 PolarHBondContact O-N 3.19Å; L682-L684 PolarHBondContact O-N 3.15Å; L682-G685 PolarHBondContact O-N 3.44Å; L682-L686 WeakPolarHBondContact CD2-O 3.46Å; L682-M688 HydrophobicContact CD1-CE 3.88Å; L682-M688 HydrophobicContact CD2-CB 4.05Å; L682-M688 HydrophobicContact CD2-CG 4.47Å; L682-L691 HydrophobicContact CD2-CD1 3.79Å; L682-L691 HydrophobicContact CG-CD1 4.49Å |
| 683 | A | 85.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 6% | 0.058 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L448 F451 G478 A679 A680 K681 G685 | L448-A683 HydrophobicContact CD2-CB 3.3Å; F451-A683 HydrophobicContact CE2-CB 4.44Å; G478-A683 PolarHBondContact N-O 3.44Å; A679-A683 VanDerWaalsContact O-CB 3.31Å; A679-A683 WeakPolarHBondContact O-CB 3.27Å; A679-A683 PolarHBondContact O-N 3.39Å; A680-A683 PolarHBondContact O-N 3.43Å; K681-A683 VanDerWaalsContact C-N 3.29Å; K681-A683 PolarHBondContact O-N 3.39Å; A683-G685 VanDerWaalsContact C-N 3.34Å |
| 684 | L | 82.1 | Confident | 86.1 | Confident | 13 Ų | 13 | 24.1 Ų | 24.1 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 3.5 | 168.8 | -61 | 177.9 | 0 | 0 | 0 | 113.2 | R381 L398 E401 V403 A680 K681 L682 | R381-L684 HydrophobicContact CB-CD2 4.32Å; L398-L684 HydrophobicContact CD2-CD1 3.8Å; L398-L684 HydrophobicContact CD2-CD2 4.05Å; L398-L684 HydrophobicContact CD2-CG 4.09Å; E401-L684 HydrophobicContact CB-CD1 3.97Å; E401-L684 HydrophobicContact CG-CD1 3.86Å; V403-L684 HydrophobicContact CG2-CD1 4.18Å; V403-L684 HydrophobicContact CG2-CD2 4.48Å; A680-L684 PolarHBondContact O-N 2.98Å; K681-L684 WeakPolarHBondContact O-CB 3.38Å; K681-L684 PolarHBondContact O-N 3.1Å; L682-L684 PolarHBondContact O-N 3.15Å |
| 685 | G | 80.2 | Confident | 85.9 | Confident | 16 Ų | 16 | 23.8 Ų | 23.8 | 17% | 0.165 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L682 A683 | L682-G685 PolarHBondContact O-N 3.44Å; A683-G685 VanDerWaalsContact C-N 3.34Å |
| 686 | L | 84.8 | Confident | 85.7 | Confident | 45 Ų | 45 | 23.4 Ų | 23.4 | 24% | 0.236 | 12% | 0.118 | C | C | . | . | trans | -70.4 | 133.7 | 178 | -66.4 | 171.2 | 0 | 0 | 0 | 110.9 | E401 K681 L682 L691 | E401-L686 HydrophobicContact CG-CD1 4.41Å; K681-L686 HydrophobicContact CB-CB 4.44Å; K681-L686 HydrophobicContact CB-CD1 3.84Å; K681-L686 HydrophobicContact CD-CD1 3.79Å; K681-L686 HydrophobicContact CG-CD1 4.3Å; K681-L686 WeakPolarHBondContact O-CB 3.28Å; K681-L686 PolarHBondContact O-N 3.3Å; L682-L686 WeakPolarHBondContact CD2-O 3.46Å; L686-L691 HydrophobicContact CB-CD2 4.3Å; L686-L691 HydrophobicContact CD1-CD2 4.29Å | ||
| 687 | P | 84.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | trans | -67.4 | 136.9 | 174.6 | -9.1 | 20.5 | 0 | 0 | 0 | 111.4 | N289 Y584 P689 E690 | N289-P687 HydrophobicContact CB-CB 4.45Å; Y584-P687 HydrophobicContact CD2-CB 3.68Å; Y584-P687 HydrophobicContact CD2-CG 3.97Å; Y584-P687 HydrophobicContact CE2-CB 3.68Å; Y584-P687 HydrophobicContact CE2-CG 3.41Å; Y584-P687 VanDerWaalsContact CE2-CG 3.41Å; P687-P689 VanDerWaalsContact C-CD 3.44Å; P687-P689 VanDerWaalsContact C-N 3.33Å; P687-E690 HydrophobicContact CB-CG 4.25Å; P687-E690 HydrophobicContact CG-CG 4.09Å; P687-E690 PolarHBondContact O-N 3.34Å | ||
| 688 | M | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -57.4 | -38.3 | 176.9 | -159.9 | -176.8 | -49.3 | 0 | 0 | 113.5 | V580 D582 N586 I588 L682 E690 L691 T700 C701 C702 | V580-M688 HydrophobicContact CB-CE 4.27Å; V580-M688 HydrophobicContact CG1-CE 3.77Å; D582-M688 HydrophobicContact CB-CB 4.27Å; D582-M688 HydrophobicContact CB-CE 4.4Å; D582-M688 WeakPolarHBondContact OD2-CB 3.27Å; D582-M688 PolarHBondContact OD2-N 2.84Å; N586-M688 HydrophobicContact CB-CB 4.45Å; N586-M688 HydrophobicContact CB-CE 4.24Å; N586-M688 VanDerWaalsContact O-CE 3.29Å; N586-M688 WeakPolarHBondContact O-CE 3.42Å; I588-M688 HydrophobicContact CD1-SD 3.78Å; L682-M688 HydrophobicContact CD1-CE 3.88Å; L682-M688 HydrophobicContact CD2-CB 4.05Å; L682-M688 HydrophobicContact CD2-CG 4.47Å; M688-E690 VanDerWaalsContact C-N 3.25Å; M688-E690 PolarHBondContact O-N 3.38Å; M688-L691 WeakPolarHBondContact O-CB 3.48Å; M688-L691 PolarHBondContact O-N 3.17Å; M688-L691 VanDerWaalsContact O-N 3.13Å; M688-T700 PolarHBondContact O-OG1 3.15Å; M688-C701 HydrophobicContact CG-CB 4.3Å; M688-C702 HydrophobicContact CB-CB 4.3Å; M688-C702 HydrophobicContact CG-CB 4.05Å; M688-C702 HydrophobicContact SD-CB 4.17Å |
| 689 | P | 87.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 31.9 Ų | 31.9 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -60.3 | -31 | 178.1 | -28.6 | 38.6 | 0 | 0 | 0 | 114.6 | M284 C291 P687 L691 T700 C702 | M284-P689 HydrophobicContact CE-CB 4.03Å; M284-P689 HydrophobicContact CE-CG 4.24Å; M284-P689 HydrophobicContact SD-CB 3.42Å; M284-P689 WeakPolarHBondContact SD-CB 3.14Å; M284-P689 HydrophobicContact SD-CG 3.66Å; C291-P689 HydrophobicContact CB-CB 4.41Å; C291-P689 HydrophobicContact CB-CG 3.47Å; C291-P689 VanDerWaalsContact CB-CG 3.47Å; P687-P689 VanDerWaalsContact C-CD 3.44Å; P687-P689 VanDerWaalsContact C-N 3.33Å; P689-L691 VanDerWaalsContact C-N 3.31Å; P689-T700 VanDerWaalsContact C-OG1 3.3Å; P689-T700 WeakPolarHBondContact CA-OG1 3.28Å; P689-T700 WeakPolarHBondContact O-CB 3.4Å; P689-T700 PolarHBondContact O-OG1 2.81Å; P689-C702 HydrophobicContact CG-CB 4.25Å |
| 690 | E | 87 | Confident | 85.4 | Confident | 126 Ų | 126 | 32.1 Ų | 32.1 | 59% | 0.589 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -78.2 | -17.1 | 179.8 | -64.4 | -175.6 | -175.9 | 0 | 0 | 112.8 | P687 M688 | P687-E690 HydrophobicContact CB-CG 4.25Å; P687-E690 HydrophobicContact CG-CG 4.09Å; P687-E690 PolarHBondContact O-N 3.34Å; M688-E690 VanDerWaalsContact C-N 3.25Å; M688-E690 PolarHBondContact O-N 3.38Å |
| 691 | L | 87.9 | Confident | 85.4 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -79.4 | 129.6 | 177.8 | -56.8 | -179.1 | 0 | 0 | 0 | 110.1 | V678 K681 L682 L686 M688 P689 T700 C701 | V678-L691 HydrophobicContact CG1-CD1 4.09Å; K681-L691 HydrophobicContact CB-CD1 3.72Å; K681-L691 HydrophobicContact CB-CD2 3.89Å; K681-L691 HydrophobicContact CB-CG 4.49Å; K681-L691 HydrophobicContact CG-CD1 4.33Å; K681-L691 HydrophobicContact CG-CD2 4.04Å; L682-L691 HydrophobicContact CD2-CD1 3.79Å; L682-L691 HydrophobicContact CG-CD1 4.49Å; L686-L691 HydrophobicContact CB-CD2 4.3Å; L686-L691 HydrophobicContact CD1-CD2 4.29Å; M688-L691 WeakPolarHBondContact O-CB 3.48Å; M688-L691 PolarHBondContact O-N 3.17Å; M688-L691 VanDerWaalsContact O-N 3.13Å; P689-L691 VanDerWaalsContact C-N 3.31Å; L691-T700 CarbonylContact O-C 3.58Å; L691-T700 WeakPolarHBondContact O-CA 3.36Å; L691-T700 PolarHBondContact O-OG1 3.46Å; L691-C701 HydrophobicContact CB-CB 3.97Å; L691-C701 PolarHBondContact O-N 3.35Å |
| 692 | K | 86.7 | Confident | 85.4 | Confident | 155 Ų | 155 | 32.1 Ų | 32.1 | 67% | 0.674 | 16% | 0.161 | S | C | * | . | B | Isolated β-bridge | trans | -82.2 | 136 | 176.2 | -65.4 | -174.9 | 177.5 | -173.8 | 0 | 111.3 | S694 C701 | K692-S694 PolarHBondContact O-N 2.74Å; K692-C701 PolarHBondContact O-SG 3.35Å |
| 693 | N | 85.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 122.8 | 171 | -178.5 | -3.1 | 0 | 0 | 0 | 110.1 | V695 R697 T699 F703 T885 | N693-V695 PolarHBondContact O-N 2.63Å; N693-V695 WeakPolarHBondContact OD1-CB 3.46Å; N693-V695 PolarHBondContact OD1-N 3.49Å; N693-R697 VanDerWaalsContact O-CA 3.25Å; N693-R697 WeakPolarHBondContact O-CA 3.26Å; N693-R697 PolarHBondContact O-N 3.16Å; N693-T699 WeakPolarHBondContact CB-O 3.42Å; N693-T699 VanDerWaalsContact CB-OG1 3.27Å; N693-T699 WeakPolarHBondContact CB-OG1 3.48Å; N693-T699 PolarHBondContact N-O 2.71Å; N693-T699 PolarHBondContact ND2-OG1 3.47Å; N693-F703 HydrophobicContact CB-CE1 4.09Å; N693-F703 WeakPolarHBondContact ND2-CE1 3.3Å; N693-F703 VanDerWaalsContact ND2-CZ 3.26Å; N693-F703 WeakPolarHBondContact ND2-CZ 3.48Å; N693-T885 PolarHBondContact ND2-OG1 3.33Å |
| 694 | S | 79.6 | Confident | 85.1 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.1 | 179.4 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | K692 R697 Y963 | K692-S694 PolarHBondContact O-N 2.74Å; S694-R697 PolarHBondContact O-NE 3.49Å; S694-Y963 PolarHBondContact OG-OH 2.79Å |
| 695 | V | 81 | Confident | 85.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -41.8 | -178 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | G672 N693 T885 A892 Q893 T894 | G672-V695 WeakPolarHBondContact O-CG2 3.39Å; N693-V695 PolarHBondContact O-N 2.63Å; N693-V695 WeakPolarHBondContact OD1-CB 3.46Å; N693-V695 PolarHBondContact OD1-N 3.49Å; V695-T885 HydrophobicContact CB-CG2 4.25Å; V695-T885 HydrophobicContact CG1-CG2 4.5Å; V695-T885 HydrophobicContact CG2-CG2 3.78Å; V695-A892 HydrophobicContact CG1-CB 4.09Å; V695-Q893 CarbonylContact O-C 3.53Å; V695-Q893 WeakPolarHBondContact O-CA 3.43Å; V695-Q893 PolarHBondContact O-N 3.48Å; V695-T894 HydrophobicContact CG1-CG2 4.2Å |
| 696 | T | 83 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -23 | -179 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | V698 T699 L886 W890 | T696-V698 PolarHBondContact O-N 3.07Å; T696-V698 PolarHBondContact OG1-N 3.36Å; T696-T699 HydrophobicContact CG2-CG2 4.25Å; T696-T699 WeakPolarHBondContact OG1-CB 3.19Å; T696-T699 PolarHBondContact OG1-N 3.38Å; T696-T699 VanDerWaalsContact OG1-N 3.13Å; T696-T699 PolarHBondContact OG1-OG1 3.48Å; T696-L886 HydrophobicContact CG2-CD1 4Å; T696-W890 HydrophobicContact CG2-CB 3.96Å |
| 697 | R | 82.4 | Confident | 85.8 | Confident | 145 Ų | 145 | 29.4 Ų | 29.4 | 55% | 0.547 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 64.2 | -7.7 | -173.1 | -53.8 | -66 | -174.5 | 166.1 | -0.9 | 116 | N693 S694 Q893 | N693-R697 VanDerWaalsContact O-CA 3.25Å; N693-R697 WeakPolarHBondContact O-CA 3.26Å; N693-R697 PolarHBondContact O-N 3.16Å; S694-R697 PolarHBondContact O-NE 3.49Å; R697-Q893 HydrophobicContact CG-CB 4.43Å |
| 698 | V | 83.5 | Confident | 86.1 | Confident | 89 Ų | 89 | 29.1 Ų | 29.1 | 54% | 0.539 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -119.2 | -31.1 | -175.2 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | T696 W890 | T696-V698 PolarHBondContact O-N 3.07Å; T696-V698 PolarHBondContact OG1-N 3.36Å; V698-W890 HydrophobicContact CG2-CE3 4.14Å; V698-W890 HydrophobicContact CG2-CZ3 4.48Å |
| 699 | T | 88.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -84.2 | 159.5 | 179.5 | 68.6 | 0 | 0 | 0 | 0 | 110.9 | N319 N693 T696 L886 W890 | N319-T699 HydrophobicContact CB-CG2 4.36Å; N319-T699 VanDerWaalsContact OD1-CA 3.28Å; N319-T699 WeakPolarHBondContact OD1-CA 3.35Å; N319-T699 WeakPolarHBondContact OD1-CB 3.47Å; N693-T699 WeakPolarHBondContact CB-O 3.42Å; N693-T699 VanDerWaalsContact CB-OG1 3.27Å; N693-T699 WeakPolarHBondContact CB-OG1 3.48Å; N693-T699 PolarHBondContact N-O 2.71Å; N693-T699 PolarHBondContact ND2-OG1 3.47Å; T696-T699 HydrophobicContact CG2-CG2 4.25Å; T696-T699 WeakPolarHBondContact OG1-CB 3.19Å; T696-T699 PolarHBondContact OG1-N 3.38Å; T696-T699 VanDerWaalsContact OG1-N 3.13Å; T696-T699 PolarHBondContact OG1-OG1 3.48Å; T699-L886 HydrophobicContact CG2-CD1 4.09Å; T699-W890 HydrophobicContact CG2-CB 4.24Å; T699-W890 HydrophobicContact CG2-CD2 3.61Å; T699-W890 HydrophobicContact CG2-CE3 3.95Å; T699-W890 HydrophobicContact CG2-CG 3.73Å |
| 700 | T | 90 | Very high | 86.7 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -68.2 | 160.7 | 169.4 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | P282 A318 N319 M688 P689 L691 C702 F703 | P282-T700 HydrophobicContact CB-CG2 4.08Å; P282-T700 HydrophobicContact CG-CG2 3.73Å; A318-T700 HydrophobicContact CB-CG2 3.79Å; N319-T700 WeakPolarHBondContact OD1-CG2 3.45Å; N319-T700 PolarHBondContact OD1-N 2.96Å; M688-T700 PolarHBondContact O-OG1 3.15Å; P689-T700 VanDerWaalsContact C-OG1 3.3Å; P689-T700 WeakPolarHBondContact CA-OG1 3.28Å; P689-T700 WeakPolarHBondContact O-CB 3.4Å; P689-T700 PolarHBondContact O-OG1 2.81Å; L691-T700 CarbonylContact O-C 3.58Å; L691-T700 WeakPolarHBondContact O-CA 3.36Å; L691-T700 PolarHBondContact O-OG1 3.46Å; T700-C702 VanDerWaalsContact C-N 3.29Å; T700-C702 HydrophobicContact CG2-CB 3.97Å; T700-C702 PolarHBondContact OG1-N 3.37Å; T700-F703 WeakPolarHBondContact O-CD1 3.46Å; T700-F703 VanDerWaalsContact O-CE1 3.23Å; T700-F703 WeakPolarHBondContact O-CE1 3.35Å |
| 701 | C | 87.8 | Confident | 87 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -77 | -11.7 | 166.2 | -77.9 | 0 | 0 | 0 | 0 | 113.1 | Y673 V678 M688 L691 K692 F703 | Y673-C701 HydrophobicContact CE2-CB 4.42Å; Y673-C701 VanDerWaalsContact CE2-O 3.25Å; Y673-C701 WeakPolarHBondContact CE2-O 3.5Å; Y673-C701 WeakPolarHBondContact OH-CB 3.3Å; Y673-C701 PolarHBondContact OH-O 3.24Å; V678-C701 HydrophobicContact CG2-CB 4.47Å; M688-C701 HydrophobicContact CG-CB 4.3Å; L691-C701 HydrophobicContact CB-CB 3.97Å; L691-C701 PolarHBondContact O-N 3.35Å; K692-C701 PolarHBondContact O-SG 3.35Å; C701-F703 VanDerWaalsContact C-N 3.3Å; C701-F703 PolarHBondContact O-N 2.82Å |
| 702 | C | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | trans | -79.1 | 70.2 | -177.3 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | P282 C291 I293 M688 P689 T700 | P282-C702 VanDerWaalsContact CB-O 3.25Å; P282-C702 WeakPolarHBondContact CB-O 3.26Å; C291-C702 VanDerWaalsContact SG-SG 3.66Å; I293-C702 WeakPolarHBondContact CD1-O 3.37Å; M688-C702 HydrophobicContact CB-CB 4.3Å; M688-C702 HydrophobicContact CG-CB 4.05Å; M688-C702 HydrophobicContact SD-CB 4.17Å; P689-C702 HydrophobicContact CG-CB 4.25Å; T700-C702 VanDerWaalsContact C-N 3.29Å; T700-C702 HydrophobicContact CG2-CB 3.97Å; T700-C702 PolarHBondContact OG1-N 3.37Å | ||
| 703 | F | 85.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -157.8 | 161.2 | 179.1 | 71.8 | -85.4 | 0 | 0 | 0 | 111.8 | I588 Y673 N693 T700 C701 P705 T885 L886 | I588-F703 WeakPolarHBondContact CD1-O 3.48Å; I588-F703 WeakPolarHBondContact CG1-O 3.38Å; Y673-F703 HydrophobicContact CD2-CE1 4.1Å; Y673-F703 HydrophobicContact CD2-CE2 4.3Å; Y673-F703 AromaticContact CD2-CZ 3.74Å; Y673-F703 HydrophobicContact CD2-CZ 3.74Å; Y673-F703 HydrophobicContact CE2-CD1 4.37Å; Y673-F703 AromaticContact CE2-CE1 3.82Å; Y673-F703 HydrophobicContact CE2-CE1 3.82Å; Y673-F703 AromaticContact CE2-CZ 3.94Å; Y673-F703 HydrophobicContact CE2-CZ 3.94Å; N693-F703 HydrophobicContact CB-CE1 4.09Å; N693-F703 WeakPolarHBondContact ND2-CE1 3.3Å; N693-F703 VanDerWaalsContact ND2-CZ 3.26Å; N693-F703 WeakPolarHBondContact ND2-CZ 3.48Å; T700-F703 WeakPolarHBondContact O-CD1 3.46Å; T700-F703 VanDerWaalsContact O-CE1 3.23Å; T700-F703 WeakPolarHBondContact O-CE1 3.35Å; C701-F703 VanDerWaalsContact C-N 3.3Å; C701-F703 PolarHBondContact O-N 2.82Å; F703-P705 HydrophobicContact CE2-CG 4.38Å; F703-T885 HydrophobicContact CZ-CG2 4.33Å; F703-L886 HydrophobicContact CD2-CD2 3.43Å; F703-L886 VanDerWaalsContact CD2-CD2 3.43Å; F703-L886 HydrophobicContact CD2-CG 4.26Å; F703-L886 HydrophobicContact CE2-CD2 3.6Å; F703-L886 HydrophobicContact CE2-CG 3.95Å; F703-L886 HydrophobicContact CG-CD2 4.12Å; F703-L886 HydrophobicContact CZ-CD2 4.39Å; F703-L886 HydrophobicContact CZ-CG 4.38Å |
| 704 | E | 83.1 | Confident | 88.3 | Confident | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.047 | 8% | 0.078 | C | C | . | . | trans | -92.6 | 122.2 | 176.3 | -52.6 | -165.8 | 169.2 | 0 | 0 | 112.3 | N280 I588 R622 S706 | N280-E704 VanDerWaalsContact CG-O 3.27Å; N280-E704 PolarHBondContact ND2-N 3.12Å; N280-E704 PolarHBondContact ND2-O 3.25Å; N280-E704 WeakPolarHBondContact OD1-CA 3.46Å; N280-E704 WeakPolarHBondContact OD1-CB 3.33Å; N280-E704 PolarHBondContact OD1-N 2.85Å; I588-E704 HydrophobicContact CB-CG 4.41Å; I588-E704 HydrophobicContact CG1-CG 4.46Å; I588-E704 HydrophobicContact CG2-CB 4.48Å; I588-E704 HydrophobicContact CG2-CG 4.3Å; R622-E704 IonicContact CZ-OE1 2.76Å; R622-E704 IonicContact NE-OE1 3.56Å; R622-E704 PolarHBondContact NE-OE1 2.95Å; R622-E704 IonicContact NE-OE2 2.71Å; R622-E704 PolarHBondContact NE-OE2 3.28Å; R622-E704 VanDerWaalsContact NE-OE2 3.11Å; R622-E704 IonicContact NH2-OE1 3.6Å; R622-E704 PolarHBondContact NH2-OE1 3.16Å; E704-S706 PolarHBondContact O-N 3.01Å; E704-S706 VanDerWaalsContact O-N 3.17Å | ||
| 705 | P | 85 | Confident | 89 | Confident | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | trans | -56.7 | 127.1 | -176.7 | -27.3 | 35.1 | 0 | 0 | 0 | 113.5 | M34 T671 Y673 F703 T885 | M34-P705 VanDerWaalsContact CE-O 3.29Å; M34-P705 WeakPolarHBondContact CE-O 3.46Å; T671-P705 HydrophobicContact CG2-CB 3.55Å; T671-P705 HydrophobicContact CG2-CG 3.94Å; Y673-P705 HydrophobicContact CD2-CG 4.08Å; Y673-P705 HydrophobicContact CG-CG 4.23Å; F703-P705 HydrophobicContact CE2-CG 4.38Å; P705-T885 CarbonylContact C-O 3.42Å; P705-T885 VanDerWaalsContact CA-O 3.28Å; P705-T885 WeakPolarHBondContact CA-O 3.48Å | ||
| 706 | S | 87 | Confident | 89.5 | Confident | 8 Ų | 8 | 15.6 Ų | 15.6 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | B | Isolated β-bridge | trans | -104.6 | 121.8 | 173.3 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | E704 T885 A887 | E704-S706 PolarHBondContact O-N 3.01Å; E704-S706 VanDerWaalsContact O-N 3.17Å; S706-T885 PolarHBondContact N-O 3.2Å; S706-T885 CarbonylContact O-C 3.52Å; S706-A887 PolarHBondContact O-N 3.44Å |
| 707 | M | 88.8 | Confident | 89.9 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | trans | -103.6 | 135.1 | -175.9 | -68.6 | 176.6 | -81.7 | 0 | 0 | 110.7 | M34 Y55 A608 P609 T671 Y709 | M34-M707 HydrophobicContact SD-CB 4.3Å; M34-M707 HydrophobicContact SD-CE 4.23Å; M34-M707 PolarHBondContact SD-N 3.39Å; Y55-M707 WeakPolarHBondContact CD2-O 3.2Å; A608-M707 HydrophobicContact CB-CE 4.09Å; A608-M707 HydrophobicContact CB-SD 4.47Å; P609-M707 HydrophobicContact CB-CE 3.62Å; P609-M707 HydrophobicContact CG-CE 4Å; P609-M707 VanDerWaalsContact N-CE 3.31Å; T671-M707 HydrophobicContact CG2-CE 4.31Å; T671-M707 HydrophobicContact CG2-SD 4.12Å; M707-Y709 HydrophobicContact CB-CE1 4.32Å; M707-Y709 HydrophobicContact CG-CE1 4.39Å; M707-Y709 HydrophobicContact CG-CE2 4.3Å; M707-Y709 HydrophobicContact SD-CE2 4.27Å | ||
| 708 | D | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -103.6 | 30.8 | 167.5 | 70.6 | -41.3 | 0 | 0 | 0 | 110.5 | P56 R124 R744 A887 | P56-D708 VanDerWaalsContact CG-O 3.24Å; P56-D708 WeakPolarHBondContact CG-O 3.35Å; R124-D708 WeakPolarHBondContact CB-OD2 3.19Å; R124-D708 WeakPolarHBondContact CD-OD2 3.48Å; R124-D708 VanDerWaalsContact CG-OD2 3.22Å; R124-D708 WeakPolarHBondContact CG-OD2 3.23Å; R124-D708 IonicContact CZ-OD2 2.68Å; R124-D708 IonicContact NE-OD2 2.8Å; R124-D708 IonicContact NH1-OD1 3.3Å; R124-D708 PolarHBondContact NH1-OD1 3Å; R124-D708 IonicContact NH1-OD2 2.8Å; R124-D708 PolarHBondContact NH1-OD2 3.08Å; D708-R744 WeakPolarHBondContact O-CD 3.39Å; D708-R744 PolarHBondContact O-NH1 3.25Å; D708-R744 IonicContact OD2-NH1 3.73Å; D708-R744 PolarHBondContact OD2-NH1 2.86Å; D708-A887 HydrophobicContact CB-CB 3.92Å |
| 709 | Y | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -153.9 | 169.4 | 178 | 51.7 | -85 | 0 | 0 | 0 | 109 | A670 M707 V711 I742 G743 I883 D884 Y898 | A670-Y709 WeakPolarHBondContact O-CE2 3.31Å; A670-Y709 PolarHBondContact O-OH 2.88Å; M707-Y709 HydrophobicContact CB-CE1 4.32Å; M707-Y709 HydrophobicContact CG-CE1 4.39Å; M707-Y709 HydrophobicContact CG-CE2 4.3Å; M707-Y709 HydrophobicContact SD-CE2 4.27Å; Y709-V711 HydrophobicContact CD2-CG2 3.72Å; Y709-V711 HydrophobicContact CE2-CG2 3.68Å; Y709-I742 HydrophobicContact CD2-CG2 3.72Å; Y709-I742 HydrophobicContact CE2-CG2 4.29Å; Y709-I742 HydrophobicContact CG-CG2 4.4Å; Y709-G743 WeakPolarHBondContact CB-O 3.27Å; Y709-I883 HydrophobicContact CE2-CD1 3.94Å; Y709-I883 WeakPolarHBondContact OH-CG2 3.37Å; Y709-D884 PolarHBondContact OH-O 2.99Å; Y709-Y898 HydrophobicContact CD1-CE1 4.5Å; Y709-Y898 HydrophobicContact CG-CE1 4.45Å |
| 710 | C | 93.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 12.9 Ų | 12.9 | 3% | 0.027 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.4 | 176.7 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | V607 G743 A749 | V607-C710 VanDerWaalsContact CG2-SG 3.58Å; C710-G743 PolarHBondContact N-O 2.9Å; C710-G743 PolarHBondContact O-N 3.28Å; C710-G743 VanDerWaalsContact O-N 3.09Å; C710-G743 VanDerWaalsContact O-O 3.07Å; C710-A749 HydrophobicContact CB-CB 4.37Å; C710-A749 WeakPolarHBondContact O-CB 3.33Å |
| 711 | V | 94.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.6 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V607 A608 A670 Y709 M740 G741 I742 | V607-V711 WeakPolarHBondContact CA-O 3.26Å; A608-V711 HydrophobicContact CB-CB 4.38Å; A608-V711 PolarHBondContact N-O 3.16Å; A608-V711 PolarHBondContact O-N 3.48Å; A670-V711 HydrophobicContact CB-CB 3.95Å; A670-V711 HydrophobicContact CB-CG1 3.85Å; A670-V711 HydrophobicContact CB-CG2 3.91Å; Y709-V711 HydrophobicContact CD2-CG2 3.72Å; Y709-V711 HydrophobicContact CE2-CG2 3.68Å; V711-M740 HydrophobicContact CG1-CG 3.33Å; V711-M740 HydrophobicContact CG1-SD 3.5Å; V711-M740 WeakPolarHBondContact CG1-SD 3.39Å; V711-G741 WeakPolarHBondContact CA-O 3.4Å; V711-I742 HydrophobicContact CG1-CG1 4.44Å; V711-I742 HydrophobicContact CG2-CG1 4.3Å; V711-I742 HydrophobicContact CG2-CG2 4.31Å |
| 712 | V | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.1 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | V605 V606 V607 V714 M740 G741 F746 A749 F750 A753 | V605-V712 HydrophobicContact CG1-CG1 3.89Å; V606-V712 CarbonylContact O-C 3.54Å; V606-V712 WeakPolarHBondContact O-CA 3.44Å; V607-V712 HydrophobicContact CG2-CG2 4.24Å; V712-V714 HydrophobicContact CG1-CG2 4.24Å; V712-M740 CarbonylContact O-C 3.49Å; V712-M740 WeakPolarHBondContact O-CA 3.4Å; V712-G741 PolarHBondContact N-O 3.16Å; V712-G741 PolarHBondContact O-N 3.11Å; V712-F746 HydrophobicContact CG2-CD2 3.95Å; V712-F746 HydrophobicContact CG2-CE2 3.99Å; V712-A749 HydrophobicContact CB-CB 4.19Å; V712-A749 HydrophobicContact CG2-CB 3.75Å; V712-F750 HydrophobicContact CG1-CB 4.36Å; V712-F750 HydrophobicContact CG1-CD2 3.94Å; V712-F750 HydrophobicContact CG2-CB 4.33Å; V712-A753 HydrophobicContact CB-CB 4.46Å; V712-A753 HydrophobicContact CG1-CB 4.3Å; V712-A753 WeakPolarHBondContact O-CB 3.27Å |
| 713 | K | 94.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 18.1 Ų | 18.1 | 4% | 0.039 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.2 | 171.1 | -174.4 | -141.9 | 67.7 | -175.4 | 0 | 110.3 | T601 S604 V605 V606 L666 E738 S739 | T601-K713 PolarHBondContact O-NZ 3.19Å; S604-K713 WeakPolarHBondContact O-CE 3.48Å; S604-K713 PolarHBondContact O-NZ 3.37Å; V605-K713 VanDerWaalsContact CA-O 3.32Å; V605-K713 WeakPolarHBondContact CA-O 3.48Å; V605-K713 WeakPolarHBondContact CG1-O 3.27Å; V606-K713 HydrophobicContact CB-CB 4.23Å; V606-K713 HydrophobicContact CG2-CD 4.49Å; V606-K713 VanDerWaalsContact CG2-NZ 3.33Å; V606-K713 PolarHBondContact N-O 3.49Å; V606-K713 PolarHBondContact O-N 3.11Å; L666-K713 HydrophobicContact CD1-CB 3.77Å; L666-K713 HydrophobicContact CD1-CG 3.97Å; L666-K713 HydrophobicContact CD2-CB 3.73Å; L666-K713 HydrophobicContact CD2-CD 3.94Å; L666-K713 HydrophobicContact CD2-CG 4.09Å; L666-K713 HydrophobicContact CG-CB 4.4Å; K713-E738 HydrophobicContact CD-CB 4.05Å; K713-E738 HydrophobicContact CD-CG 4.21Å; K713-E738 HydrophobicContact CG-CB 3.88Å; K713-E738 HydrophobicContact CG-CG 4.13Å; K713-S739 CarbonylContact C-O 3.55Å; K713-S739 VanDerWaalsContact CA-O 3.31Å; K713-S739 WeakPolarHBondContact CA-O 3.45Å |
| 714 | V | 95.6 | Very high | 87.7 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.2 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | V605 V712 E738 S739 A753 V754 V757 | V605-V714 HydrophobicContact CG1-CG2 4.24Å; V605-V714 HydrophobicContact CG2-CG1 4.35Å; V605-V714 HydrophobicContact CG2-CG2 4.29Å; V712-V714 HydrophobicContact CG1-CG2 4.24Å; V714-E738 WeakPolarHBondContact O-CA 3.37Å; V714-S739 PolarHBondContact N-O 3.04Å; V714-S739 PolarHBondContact O-N 2.67Å; V714-S739 PolarHBondContact O-OG 2.91Å; V714-A753 HydrophobicContact CB-CB 4.3Å; V714-A753 HydrophobicContact CG2-CB 3.65Å; V714-V754 HydrophobicContact CG2-CG2 4.16Å; V714-V757 HydrophobicContact CB-CG2 3.8Å; V714-V757 HydrophobicContact CG1-CG2 3.59Å |
| 715 | P | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 153.4 | 177.8 | -13.7 | 25.8 | 0 | 0 | 0 | 112.8 | E603 S604 W717 | E603-P715 VanDerWaalsContact C-CG 3.44Å; E603-P715 WeakPolarHBondContact O-CG 3.48Å; S604-P715 WeakPolarHBondContact O-CG 3.07Å; P715-W717 HydrophobicContact CB-CH2 3.73Å; P715-W717 HydrophobicContact CB-CZ2 3.63Å; P715-W717 HydrophobicContact CB-CZ3 4.24Å; P715-W717 HydrophobicContact CG-CH2 3.77Å; P715-W717 HydrophobicContact CG-CZ2 3.84Å; P715-W717 VanDerWaalsContact O-CZ3 3.26Å; P715-W717 WeakPolarHBondContact O-CZ3 3.43Å |
| 716 | R | 92.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 24 Ų | 24 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.6 | 175.4 | 172.1 | 57.1 | -167.6 | -177.1 | -6.7 | 111.3 | D718 S735 I736 G737 V757 D758 V922 Y923 | R716-D718 IonicContact CZ-OD1 2.78Å; R716-D718 IonicContact NE-OD1 2.7Å; R716-D718 PolarHBondContact NE-OD1 3.32Å; R716-D718 IonicContact NH2-OD1 2.85Å; R716-D718 PolarHBondContact NH2-OD1 3.3Å; R716-S735 VanDerWaalsContact O-CA 3.28Å; R716-S735 WeakPolarHBondContact O-CA 3.4Å; R716-S735 WeakPolarHBondContact O-CB 3.41Å; R716-I736 HydrophobicContact CG-CG1 4.28Å; R716-I736 WeakPolarHBondContact O-CG1 3.45Å; R716-I736 PolarHBondContact O-N 3.35Å; R716-G737 WeakPolarHBondContact CB-O 3.35Å; R716-G737 PolarHBondContact N-O 2.93Å; R716-V757 HydrophobicContact CB-CG1 4.28Å; R716-V757 WeakPolarHBondContact CD-O 3.42Å; R716-D758 IonicContact CZ-OD2 2.66Å; R716-D758 VanDerWaalsContact CZ-OD2 3.26Å; R716-D758 IonicContact NH1-OD2 3.3Å; R716-D758 PolarHBondContact NH1-OD2 3.08Å; R716-D758 IonicContact NH2-OD2 3.46Å; R716-D758 PolarHBondContact NH2-OD2 3.19Å; R716-V922 HydrophobicContact CB-CG1 3.74Å; R716-V922 HydrophobicContact CG-CG1 3.99Å; R716-Y923 VanDerWaalsContact CG-O 3.25Å; R716-Y923 WeakPolarHBondContact CG-O 3.44Å |
| 717 | W | 91.5 | Very high | 87.6 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 13% | 0.129 | 16% | 0.157 | C | C | . | . | trans | -119.8 | 142.7 | 176.2 | -59.6 | -82.2 | 0 | 0 | 0 | 112.4 | E603 P715 L719 I729 D787 | E603-W717 WeakPolarHBondContact O-CZ2 3.36Å; E603-W717 PolarHBondContact OE2-NE1 2.91Å; P715-W717 HydrophobicContact CB-CH2 3.73Å; P715-W717 HydrophobicContact CB-CZ2 3.63Å; P715-W717 HydrophobicContact CB-CZ3 4.24Å; P715-W717 HydrophobicContact CG-CH2 3.77Å; P715-W717 HydrophobicContact CG-CZ2 3.84Å; P715-W717 VanDerWaalsContact O-CZ3 3.26Å; P715-W717 WeakPolarHBondContact O-CZ3 3.43Å; W717-L719 HydrophobicContact CB-CG 4.15Å; W717-I729 HydrophobicContact CZ2-CD1 4.34Å; W717-I729 HydrophobicContact CZ2-CG1 4.32Å; W717-D787 HydrophobicContact CB-CB 4.36Å; W717-D787 HydrophobicContact CD2-CB 3.98Å; W717-D787 HydrophobicContact CE3-CB 3.89Å; W717-D787 HydrophobicContact CG-CB 4.21Å | ||
| 718 | D | 87.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | trans | -114.1 | 31.5 | 171.4 | -84.8 | 5.7 | 0 | 0 | 0 | 112 | R716 N720 K721 I736 I925 | R716-D718 IonicContact CZ-OD1 2.78Å; R716-D718 IonicContact NE-OD1 2.7Å; R716-D718 PolarHBondContact NE-OD1 3.32Å; R716-D718 IonicContact NH2-OD1 2.85Å; R716-D718 PolarHBondContact NH2-OD1 3.3Å; D718-N720 PolarHBondContact O-N 2.9Å; D718-N720 VanDerWaalsContact O-N 3.1Å; D718-K721 HydrophobicContact CB-CD 4.11Å; D718-K721 HydrophobicContact CB-CG 4.35Å; D718-K721 WeakPolarHBondContact O-CB 3.1Å; D718-K721 PolarHBondContact O-N 3.22Å; D718-K721 WeakPolarHBondContact OD2-CE 3.49Å; D718-K721 IonicContact OD2-NZ 3.3Å; D718-K721 PolarHBondContact OD2-NZ 3.05Å; D718-I736 HydrophobicContact CB-CD1 3.65Å; D718-I736 WeakPolarHBondContact OD2-CD1 3.41Å; D718-I925 HydrophobicContact CB-CD1 3.94Å; D718-I925 HydrophobicContact CB-CG1 4.36Å; D718-I925 VanDerWaalsContact OD2-CB 3.27Å; D718-I925 WeakPolarHBondContact OD2-CB 3.48Å; D718-I925 PolarHBondContact OD2-N 3.3Å | ||
| 719 | L | 87.3 | Confident | 87.5 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -58.7 | -29.2 | -172.9 | -59.6 | 179 | 0 | 0 | 0 | 113.6 | W717 K721 F722 V725 I729 K734 D787 L1254 | W717-L719 HydrophobicContact CB-CG 4.15Å; L719-K721 PolarHBondContact O-N 2.9Å; L719-K721 VanDerWaalsContact O-N 3.12Å; L719-F722 PolarHBondContact O-N 3.42Å; L719-V725 HydrophobicContact CD2-CG1 4.05Å; L719-I729 HydrophobicContact CD1-CD1 4.32Å; L719-K734 HydrophobicContact CD2-CB 4.26Å; L719-K734 HydrophobicContact CD2-CD 4.3Å; L719-D787 HydrophobicContact CD1-CB 4.38Å; L719-L1254 HydrophobicContact CD2-CD2 3.73Å |
| 720 | N | 79.4 | Confident | 87 | Confident | 127 Ų | 127 | 30 Ų | 30 | 68% | 0.679 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -60.9 | -19.5 | 176.7 | -63.2 | -32.7 | 0 | 0 | 0 | 113.6 | D718 F722 | D718-N720 PolarHBondContact O-N 2.9Å; D718-N720 VanDerWaalsContact O-N 3.1Å; N720-F722 VanDerWaalsContact C-N 3.25Å; N720-F722 PolarHBondContact O-N 2.96Å |
| 721 | K | 78.5 | Confident | 86.2 | Confident | 29 Ų | 29 | 31 Ų | 31 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -75.2 | -13 | 175.1 | -63.7 | -172 | 174.2 | 161.4 | 0 | 113.4 | D718 L719 P723 I925 | D718-K721 HydrophobicContact CB-CD 4.11Å; D718-K721 HydrophobicContact CB-CG 4.35Å; D718-K721 WeakPolarHBondContact O-CB 3.1Å; D718-K721 PolarHBondContact O-N 3.22Å; D718-K721 WeakPolarHBondContact OD2-CE 3.49Å; D718-K721 IonicContact OD2-NZ 3.3Å; D718-K721 PolarHBondContact OD2-NZ 3.05Å; L719-K721 PolarHBondContact O-N 2.9Å; L719-K721 VanDerWaalsContact O-N 3.12Å; K721-P723 WeakPolarHBondContact O-CD 3.44Å; K721-I925 HydrophobicContact CD-CB 4.27Å; K721-I925 HydrophobicContact CD-CD1 4.33Å; K721-I925 HydrophobicContact CD-CG2 4.39Å; K721-I925 PolarHBondContact NZ-O 3.42Å |
| 722 | F | 81.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -120.8 | 86.5 | -174.5 | -55.9 | -82.8 | 0 | 0 | 0 | 110.8 | L719 N720 G724 V725 I925 F1251 L1254 A1257 | L719-F722 PolarHBondContact O-N 3.42Å; N720-F722 VanDerWaalsContact C-N 3.25Å; N720-F722 PolarHBondContact O-N 2.96Å; F722-G724 PolarHBondContact O-N 2.73Å; F722-V725 HydrophobicContact CB-CB 4.03Å; F722-V725 HydrophobicContact CB-CG2 3.38Å; F722-V725 HydrophobicContact CG-CG2 4.37Å; F722-V725 WeakPolarHBondContact O-CB 3.37Å; F722-V725 WeakPolarHBondContact O-CG2 3.1Å; F722-V725 PolarHBondContact O-N 3.3Å; F722-V725 VanDerWaalsContact O-N 3.07Å; F722-I925 HydrophobicContact CE2-CD1 3.61Å; F722-I925 HydrophobicContact CZ-CD1 3.65Å; F722-F1251 HydrophobicContact CE1-CE1 4.01Å; F722-L1254 HydrophobicContact CD1-CD1 4.13Å; F722-L1254 HydrophobicContact CD2-CD1 3.68Å; F722-L1254 HydrophobicContact CE1-CD1 3.98Å; F722-L1254 HydrophobicContact CE2-CD1 3.51Å; F722-L1254 HydrophobicContact CG-CD1 3.98Å; F722-L1254 HydrophobicContact CZ-CD1 3.66Å; F722-A1257 HydrophobicContact CB-CB 4.3Å; F722-A1257 HydrophobicContact CD1-CB 4.11Å; F722-A1257 HydrophobicContact CG-CB 4.48Å |
| 723 | P | 71.3 | Confident | 84.9 | Confident | 75 Ų | 75 | 33 Ų | 33 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133.3 | 176.1 | -25 | 32.7 | 0 | 0 | 0 | 111.6 | K721 V725 F1395 | K721-P723 WeakPolarHBondContact O-CD 3.44Å; P723-V725 VanDerWaalsContact C-N 3.34Å; P723-F1395 HydrophobicContact CB-CE2 4.31Å; P723-F1395 HydrophobicContact CB-CZ 4.2Å; P723-F1395 WeakPolarHBondContact O-CZ 3.4Å |
| 724 | G | 74.7 | Confident | 84.6 | Confident | 67 Ų | 67 | 34.2 Ų | 34.2 | 69% | 0.691 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -7.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F722 | F722-G724 PolarHBondContact O-N 2.73Š|
| 725 | V | 83.2 | Confident | 84.3 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | trans | -73.1 | 136.7 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | L719 F722 P723 T727 L1254 A1255 A1257 | L719-V725 HydrophobicContact CD2-CG1 4.05Å; F722-V725 HydrophobicContact CB-CB 4.03Å; F722-V725 HydrophobicContact CB-CG2 3.38Å; F722-V725 HydrophobicContact CG-CG2 4.37Å; F722-V725 WeakPolarHBondContact O-CB 3.37Å; F722-V725 WeakPolarHBondContact O-CG2 3.1Å; F722-V725 PolarHBondContact O-N 3.3Å; F722-V725 VanDerWaalsContact O-N 3.07Å; P723-V725 VanDerWaalsContact C-N 3.34Å; V725-T727 PolarHBondContact O-N 3.37Å; V725-L1254 HydrophobicContact CG1-CB 4.38Å; V725-L1254 HydrophobicContact CG1-CD2 4.24Å; V725-L1254 HydrophobicContact CG2-CB 4.04Å; V725-A1255 WeakPolarHBondContact CA-O 3.42Å; V725-A1257 HydrophobicContact CG2-CB 3.56Å | ||
| 726 | S | 83 | Confident | 83.9 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | trans | -67.8 | 127.8 | 174.6 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | T728 K734 | S726-T728 PolarHBondContact O-N 3.08Å; S726-T728 WeakPolarHBondContact OG-CB 3.5Å; S726-T728 PolarHBondContact OG-N 2.97Å; S726-T728 VanDerWaalsContact OG-N 3.13Å; S726-T728 PolarHBondContact OG-OG1 3Å; S726-K734 PolarHBondContact O-NZ 2.86Å | ||
| 727 | T | 87 | Confident | 83.8 | Confident | 42 Ų | 42 | 33.8 Ų | 33.8 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | trans | -79 | -1.7 | 172.4 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | V725 I729 T786 D787 | V725-T727 PolarHBondContact O-N 3.37Å; T727-I729 PolarHBondContact O-N 2.66Å; T727-T786 VanDerWaalsContact O-CA 3.24Å; T727-T786 WeakPolarHBondContact O-CA 3.45Å; T727-T786 WeakPolarHBondContact O-CB 3.39Å; T727-D787 WeakPolarHBondContact CB-OD1 3.32Å; T727-D787 PolarHBondContact O-N 3.19Å | ||
| 728 | T | 88.4 | Confident | 83.7 | Confident | 60 Ų | 60 | 32.3 Ų | 32.3 | 37% | 0.368 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -68.7 | 130.3 | 175.6 | -57 | 0 | 0 | 0 | 0 | 110.1 | S726 K734 P785 | S726-T728 PolarHBondContact O-N 3.08Å; S726-T728 WeakPolarHBondContact OG-CB 3.5Å; S726-T728 PolarHBondContact OG-N 2.97Å; S726-T728 VanDerWaalsContact OG-N 3.13Å; S726-T728 PolarHBondContact OG-OG1 3Å; T728-K734 PolarHBondContact O-NZ 2.66Å; T728-P785 CarbonylContact C-O 3.57Å; T728-P785 WeakPolarHBondContact CA-O 3.25Å |
| 729 | I | 88.5 | Confident | 84 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -98.4 | 144.1 | 176.5 | -57 | -51.3 | 0 | 0 | 0 | 108.6 | I599 E603 W717 L719 T727 K734 P785 | I599-I729 HydrophobicContact CG2-CG2 3.73Å; E603-I729 HydrophobicContact CB-CG2 3.51Å; E603-I729 HydrophobicContact CG-CG2 3.97Å; W717-I729 HydrophobicContact CZ2-CD1 4.34Å; W717-I729 HydrophobicContact CZ2-CG1 4.32Å; L719-I729 HydrophobicContact CD1-CD1 4.32Å; T727-I729 PolarHBondContact O-N 2.66Å; I729-K734 HydrophobicContact CD1-CD 4.49Å; I729-P785 HydrophobicContact CB-CB 4.16Å; I729-P785 PolarHBondContact N-O 3.23Å | ||
| 730 | G | 83.4 | Confident | 84.2 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 26% | 0.258 | 20% | 0.203 | S | C | . | . | trans | -163.2 | -152.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G598 H600 S732 | G598-G730 CarbonylContact O-C 3.44Å; H600-G730 PolarHBondContact N-O 2.83Å; G730-S732 PolarHBondContact O-N 2.83Å; G730-S732 VanDerWaalsContact O-N 3.14Å | ||
| 731 | S | 78.2 | Confident | 85 | Confident | 25 Ų | 25 | 25.5 Ų | 25.5 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -74.7 | 2.7 | -173.1 | 60.8 | 0 | 0 | 0 | 0 | 116.2 | G541 G598 | G541-S731 WeakPolarHBondContact CA-OG 3.47Å; G541-S731 PolarHBondContact N-OG 2.85Å; G598-S731 PolarHBondContact O-N 2.83Å |
| 732 | S | 78.6 | Confident | 85.8 | Confident | 28 Ų | 28 | 24.2 Ų | 24.2 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -120.1 | 131.7 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | G537 G730 | G537-S732 PolarHBondContact O-OG 2.91Å; G730-S732 PolarHBondContact O-N 2.83Å; G730-S732 VanDerWaalsContact O-N 3.14Å |
| 733 | M | 83.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 9% | 0.089 | 16% | 0.163 | C | C | . | . | trans | -70.5 | 132.2 | -174.2 | -168.1 | -172 | -58.4 | 0 | 0 | 112 | G536 H600 E603 R662 R1253 | G536-M733 PolarHBondContact O-N 3.06Å; H600-M733 WeakPolarHBondContact CE1-CE 3.43Å; E603-M733 HydrophobicContact CG-CG 4.44Å; E603-M733 VanDerWaalsContact OE1-CA 3.28Å; E603-M733 WeakPolarHBondContact OE1-CA 3.33Å; E603-M733 WeakPolarHBondContact OE1-CG 3.43Å; R662-M733 PolarHBondContact NH1-SD 3.06Å; M733-R1253 WeakPolarHBondContact O-CD 3.2Å | ||
| 734 | K | 88.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 20.1 Ų | 20.1 | 15% | 0.148 | 14% | 0.14 | C | C | . | . | trans | -123.3 | -16.5 | 174.3 | -66 | 178.9 | 179.3 | 175.5 | 0 | 112.8 | E603 L719 S726 T728 I729 L1254 | E603-K734 PolarHBondContact OE1-N 3.19Å; E603-K734 PolarHBondContact OE2-N 2.95Å; L719-K734 HydrophobicContact CD2-CB 4.26Å; L719-K734 HydrophobicContact CD2-CD 4.3Å; S726-K734 PolarHBondContact O-NZ 2.86Å; T728-K734 PolarHBondContact O-NZ 2.66Å; I729-K734 HydrophobicContact CD1-CD 4.49Å; K734-L1254 HydrophobicContact CB-CD2 4.47Å; K734-L1254 HydrophobicContact CG-CD2 4.47Å | ||
| 735 | S | 90.1 | Very high | 88.5 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | trans | -60.9 | 147.3 | 174.3 | 71.1 | 0 | 0 | 0 | 0 | 109.9 | G602 E603 R716 | G602-S735 PolarHBondContact O-OG 3.21Å; G602-S735 VanDerWaalsContact O-OG 3.11Å; E603-S735 WeakPolarHBondContact OE1-CA 3.4Å; E603-S735 WeakPolarHBondContact OE1-CB 3.3Å; E603-S735 PolarHBondContact OE1-N 3.26Å; E603-S735 PolarHBondContact OE1-OG 2.82Å; R716-S735 VanDerWaalsContact O-CA 3.28Å; R716-S735 WeakPolarHBondContact O-CA 3.4Å; R716-S735 WeakPolarHBondContact O-CB 3.41Å | ||
| 736 | I | 86.2 | Confident | 89.1 | Confident | 31 Ų | 31 | 16.8 Ų | 16.8 | 16% | 0.159 | 11% | 0.106 | C | C | . | . | trans | -111.8 | -11.6 | -177.6 | 56.1 | 174.4 | 0 | 0 | 0 | 112 | R716 D718 K924 I925 T1268 | R716-I736 HydrophobicContact CG-CG1 4.28Å; R716-I736 WeakPolarHBondContact O-CG1 3.45Å; R716-I736 PolarHBondContact O-N 3.35Å; D718-I736 HydrophobicContact CB-CD1 3.65Å; D718-I736 WeakPolarHBondContact OD2-CD1 3.41Å; I736-K924 VanDerWaalsContact CD1-CA 3.48Å; I736-K924 HydrophobicContact CD1-CB 4.27Å; I736-I925 HydrophobicContact CD1-CG1 3.88Å; I736-I925 VanDerWaalsContact CD1-N 3.33Å; I736-T1268 HydrophobicContact CG2-CG2 3.8Å | ||
| 737 | G | 89.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | -167.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R716 E957 | R716-G737 WeakPolarHBondContact CB-O 3.35Å; R716-G737 PolarHBondContact N-O 2.93Å; G737-E957 WeakPolarHBondContact CA-OE1 3.19Å |
| 738 | E | 90.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.019 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 158.8 | 177.8 | 53.7 | -116.8 | 179.2 | 0 | 0 | 111.7 | K713 V714 V922 P956 E957 | K713-E738 HydrophobicContact CD-CB 4.05Å; K713-E738 HydrophobicContact CD-CG 4.21Å; K713-E738 HydrophobicContact CG-CB 3.88Å; K713-E738 HydrophobicContact CG-CG 4.13Å; V714-E738 WeakPolarHBondContact O-CA 3.37Å; E738-V922 WeakPolarHBondContact O-CG1 3.34Å; E738-V922 WeakPolarHBondContact O-CG2 3.19Å; E738-P956 HydrophobicContact CB-CG 4.47Å; E738-P956 HydrophobicContact CG-CG 3.49Å; E738-P956 VanDerWaalsContact CG-CG 3.49Å; E738-P956 VanDerWaalsContact O-CD 3.22Å; E738-P956 WeakPolarHBondContact O-CD 3.3Å; E738-E957 WeakPolarHBondContact OE1-CG 3.23Å |
| 739 | S | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 148.1 | 168.4 | 59 | 0 | 0 | 0 | 0 | 110.2 | K713 V714 A753 V757 V922 | K713-S739 CarbonylContact C-O 3.55Å; K713-S739 VanDerWaalsContact CA-O 3.31Å; K713-S739 WeakPolarHBondContact CA-O 3.45Å; V714-S739 PolarHBondContact N-O 3.04Å; V714-S739 PolarHBondContact O-N 2.67Å; V714-S739 PolarHBondContact O-OG 2.91Å; S739-A753 PolarHBondContact OG-O 3.44Å; S739-V757 WeakPolarHBondContact OG-CG2 3.43Å; S739-V922 VanDerWaalsContact CB-CG2 3.47Å |
| 740 | M | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.4 | 174.3 | -177 | -178.5 | 75.6 | 0 | 0 | 109.6 | L666 K669 V711 V712 I742 Y896 P956 F971 | L666-M740 HydrophobicContact CD1-CB 4.34Å; L666-M740 HydrophobicContact CD1-CG 3.99Å; L666-M740 HydrophobicContact CD1-SD 3.61Å; K669-M740 HydrophobicContact CB-CE 3.74Å; K669-M740 HydrophobicContact CB-SD 4.03Å; V711-M740 HydrophobicContact CG1-CG 3.33Å; V711-M740 HydrophobicContact CG1-SD 3.5Å; V711-M740 WeakPolarHBondContact CG1-SD 3.39Å; V712-M740 CarbonylContact O-C 3.49Å; V712-M740 WeakPolarHBondContact O-CA 3.4Å; M740-I742 HydrophobicContact CE-CD1 3.85Å; M740-I742 HydrophobicContact CE-CG1 4.26Å; M740-Y896 WeakPolarHBondContact CE-OH 3.39Å; M740-P956 HydrophobicContact CB-CB 3.84Å; M740-P956 HydrophobicContact CB-CG 3.94Å; M740-P956 HydrophobicContact SD-CB 4.16Å; M740-F971 HydrophobicContact CB-CE1 3.93Å; M740-F971 HydrophobicContact CB-CZ 4.26Å; M740-F971 HydrophobicContact CE-CD1 3.75Å; M740-F971 HydrophobicContact CE-CE1 3.25Å; M740-F971 HydrophobicContact CE-CE2 4.23Å; M740-F971 HydrophobicContact CE-CG 4.42Å; M740-F971 HydrophobicContact CE-CZ 3.52Å; M740-F971 HydrophobicContact CG-CE1 4.37Å; M740-F971 WeakPolarHBondContact O-CE1 3.26Å |
| 741 | G | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V711 V712 A749 | V711-G741 WeakPolarHBondContact CA-O 3.4Å; V712-G741 PolarHBondContact N-O 3.16Å; V712-G741 PolarHBondContact O-N 3.11Å; G741-A749 WeakPolarHBondContact CA-O 3.5Å |
| 742 | I | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.4 | -179.1 | -48.8 | -179 | 0 | 0 | 0 | 108.8 | Y709 V711 M740 K752 I883 Y898 F971 | Y709-I742 HydrophobicContact CD2-CG2 3.72Å; Y709-I742 HydrophobicContact CE2-CG2 4.29Å; Y709-I742 HydrophobicContact CG-CG2 4.4Å; V711-I742 HydrophobicContact CG1-CG1 4.44Å; V711-I742 HydrophobicContact CG2-CG1 4.3Å; V711-I742 HydrophobicContact CG2-CG2 4.31Å; M740-I742 HydrophobicContact CE-CD1 3.85Å; M740-I742 HydrophobicContact CE-CG1 4.26Å; I742-K752 VanDerWaalsContact O-CD 3.28Å; I742-K752 WeakPolarHBondContact O-CD 3.47Å; I742-K752 PolarHBondContact O-NZ 3.15Å; I742-I883 HydrophobicContact CD1-CD1 3.57Å; I742-I883 HydrophobicContact CD1-CG1 4.46Å; I742-I883 HydrophobicContact CG2-CD1 3.93Å; I742-Y898 HydrophobicContact CB-CD2 4.23Å; I742-Y898 HydrophobicContact CB-CG 4.13Å; I742-Y898 HydrophobicContact CG2-CD1 3.86Å; I742-Y898 HydrophobicContact CG2-CD2 3.75Å; I742-Y898 HydrophobicContact CG2-CE1 4.12Å; I742-Y898 HydrophobicContact CG2-CE2 4.04Å; I742-Y898 HydrophobicContact CG2-CG 3.66Å; I742-F971 HydrophobicContact CD1-CD1 3.96Å; I742-F971 HydrophobicContact CG1-CD1 4.44Å |
| 743 | G | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 167.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y709 C710 S745 E748 | Y709-G743 WeakPolarHBondContact CB-O 3.27Å; C710-G743 PolarHBondContact N-O 2.9Å; C710-G743 PolarHBondContact O-N 3.28Å; C710-G743 VanDerWaalsContact O-N 3.09Å; C710-G743 VanDerWaalsContact O-O 3.07Å; G743-S745 PolarHBondContact O-N 3.3Å; G743-E748 VanDerWaalsContact CA-OE2 3.31Å; G743-E748 WeakPolarHBondContact CA-OE2 3.46Å |
| 744 | R | 94.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 5.5 Ų | 5.5 | 1% | 0.011 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -82 | -0 | 176.8 | -68.1 | -89.1 | -62.2 | 169.1 | 7.2 | 112.5 | P56 S89 T123 D708 E748 T900 N902 | P56-R744 WeakPolarHBondContact CB-O 3.4Å; S89-R744 VanDerWaalsContact CB-NH2 3.33Å; S89-R744 PolarHBondContact OG-NH2 3.33Å; T123-R744 PolarHBondContact OG1-NH2 3.1Å; D708-R744 WeakPolarHBondContact O-CD 3.39Å; D708-R744 PolarHBondContact O-NH1 3.25Å; D708-R744 IonicContact OD2-NH1 3.73Å; D708-R744 PolarHBondContact OD2-NH1 2.86Å; R744-E748 PolarHBondContact N-OE2 3.28Å; R744-T900 HydrophobicContact CG-CG2 4.1Å; R744-N902 HydrophobicContact CB-CB 3.52Å; R744-N902 HydrophobicContact CG-CB 4.08Å |
| 745 | S | 94.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 4.5 Ų | 4.5 | 5% | 0.049 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -136.1 | 156.9 | 172.4 | 69.6 | 0 | 0 | 0 | 0 | 110.3 | G743 E747 E748 A749 Q848 | G743-S745 PolarHBondContact O-N 3.3Å; S745-E747 VanDerWaalsContact C-N 3.34Å; S745-E747 PolarHBondContact O-N 3.48Å; S745-E748 PolarHBondContact O-N 3.31Å; S745-E748 VanDerWaalsContact OG-CB 3.32Å; S745-E748 WeakPolarHBondContact OG-CB 3.3Å; S745-E748 PolarHBondContact OG-N 3.4Å; S745-A749 PolarHBondContact O-N 3.19Å; S745-A749 VanDerWaalsContact O-N 3.14Å; S745-Q848 PolarHBondContact OG-O 2.84Å |
| 746 | F | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 4.9 Ų | 4.9 | 2% | 0.022 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.2 | 170.9 | -90.7 | 0 | 0 | 0 | 111.8 | V607 V712 E748 A749 F750 W815 F816 R819 L820 | V607-F746 HydrophobicContact CG2-CD2 4.16Å; V607-F746 HydrophobicContact CG2-CE2 4.47Å; V712-F746 HydrophobicContact CG2-CD2 3.95Å; V712-F746 HydrophobicContact CG2-CE2 3.99Å; F746-E748 PolarHBondContact O-N 3.02Å; F746-A749 PolarHBondContact O-N 3.37Å; F746-F750 HydrophobicContact CD1-CB 4.45Å; F746-F750 HydrophobicContact CE1-CB 4.13Å; F746-F750 HydrophobicContact CE1-CD2 4.4Å; F746-F750 HydrophobicContact CE1-CG 4.3Å; F746-F750 HydrophobicContact CZ-CB 4.22Å; F746-F750 AromaticContact CZ-CD2 3.94Å; F746-F750 HydrophobicContact CZ-CD2 3.94Å; F746-F750 HydrophobicContact CZ-CG 4.25Å; F746-F750 WeakPolarHBondContact O-CB 3.31Å; F746-F750 PolarHBondContact O-N 2.94Å; F746-W815 HydrophobicContact CB-CH2 3.96Å; F746-W815 HydrophobicContact CD2-CH2 4.18Å; F746-W815 HydrophobicContact CD2-CZ3 4.11Å; F746-W815 HydrophobicContact CE2-CZ3 4.45Å; F746-W815 HydrophobicContact CG-CH2 4Å; F746-W815 HydrophobicContact CG-CZ3 4.23Å; F746-F816 AromaticContact CE2-CD1 3.79Å; F746-F816 HydrophobicContact CE2-CD1 3.79Å; F746-F816 AromaticContact CE2-CE1 4Å; F746-F816 HydrophobicContact CE2-CE1 4Å; F746-F816 AromaticContact CZ-CD1 3.88Å; F746-F816 HydrophobicContact CZ-CD1 3.88Å; F746-R819 HydrophobicContact CD1-CB 3.39Å; F746-R819 HydrophobicContact CD1-CG 3.93Å; F746-R819 HydrophobicContact CE1-CB 3.66Å; F746-R819 HydrophobicContact CE1-CG 4.44Å; F746-R819 HydrophobicContact CG-CB 4.34Å; F746-R819 HydrophobicContact CG-CG 4.44Å; F746-L820 HydrophobicContact CE1-CD2 4.38Å |
| 747 | E | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.009 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | -178.1 | -66.4 | 87.5 | 162.9 | 0 | 0 | 111.9 | S745 Q751 R819 N822 I823 L849 | S745-E747 VanDerWaalsContact C-N 3.34Å; S745-E747 PolarHBondContact O-N 3.48Å; E747-Q751 WeakPolarHBondContact O-CB 3.31Å; E747-Q751 WeakPolarHBondContact O-CG 3.49Å; E747-Q751 PolarHBondContact O-N 2.87Å; E747-R819 VanDerWaalsContact CD-NE 3.29Å; E747-R819 VanDerWaalsContact CD-NH2 3.34Å; E747-R819 WeakPolarHBondContact CG-O 3.2Å; E747-R819 IonicContact OE1-CZ 3.11Å; E747-R819 IonicContact OE1-NE 2.79Å; E747-R819 PolarHBondContact OE1-NE 3.49Å; E747-R819 IonicContact OE1-NH2 3.69Å; E747-R819 PolarHBondContact OE1-NH2 3.13Å; E747-R819 IonicContact OE2-CZ 2.9Å; E747-R819 IonicContact OE2-NE 3.27Å; E747-R819 PolarHBondContact OE2-NE 2.95Å; E747-R819 IonicContact OE2-NH2 3.86Å; E747-R819 PolarHBondContact OE2-NH2 3.22Å; E747-N822 HydrophobicContact CG-CB 4.37Å; E747-N822 PolarHBondContact OE1-ND2 3.21Å; E747-I823 HydrophobicContact CB-CD1 3.96Å; E747-I823 HydrophobicContact CB-CG1 3.78Å; E747-I823 HydrophobicContact CG-CD1 3.94Å; E747-I823 HydrophobicContact CG-CG1 3.56Å; E747-L849 HydrophobicContact CB-CD2 3.85Å; E747-L849 HydrophobicContact CG-CD2 3.92Å |
| 748 | E | 98 | Very high | 95 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 176.2 | -175.7 | 178.2 | -153.2 | 0 | 0 | 110.9 | G743 R744 S745 F746 F750 K752 T900 Y901 N902 | G743-E748 VanDerWaalsContact CA-OE2 3.31Å; G743-E748 WeakPolarHBondContact CA-OE2 3.46Å; R744-E748 PolarHBondContact N-OE2 3.28Å; S745-E748 PolarHBondContact O-N 3.31Å; S745-E748 VanDerWaalsContact OG-CB 3.32Å; S745-E748 WeakPolarHBondContact OG-CB 3.3Å; S745-E748 PolarHBondContact OG-N 3.4Å; F746-E748 PolarHBondContact O-N 3.02Å; E748-F750 PolarHBondContact O-N 2.85Å; E748-K752 HydrophobicContact CG-CD 4.4Å; E748-K752 WeakPolarHBondContact O-CB 3.41Å; E748-K752 WeakPolarHBondContact O-CG 3.48Å; E748-K752 PolarHBondContact O-N 3.45Å; E748-K752 VanDerWaalsContact O-N 3.08Å; E748-T900 VanDerWaalsContact CD-OG1 3.27Å; E748-T900 VanDerWaalsContact OE1-CA 3.29Å; E748-T900 WeakPolarHBondContact OE1-CA 3.4Å; E748-T900 WeakPolarHBondContact OE1-CB 3.42Å; E748-T900 PolarHBondContact OE1-OG1 3.44Å; E748-T900 PolarHBondContact OE2-OG1 2.93Å; E748-Y901 PolarHBondContact OE1-N 2.93Å; E748-N902 PolarHBondContact OE2-ND2 3.42Å |
| 749 | A | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C710 V712 G741 S745 F746 K752 A753 | C710-A749 HydrophobicContact CB-CB 4.37Å; C710-A749 WeakPolarHBondContact O-CB 3.33Å; V712-A749 HydrophobicContact CB-CB 4.19Å; V712-A749 HydrophobicContact CG2-CB 3.75Å; G741-A749 WeakPolarHBondContact CA-O 3.5Å; S745-A749 PolarHBondContact O-N 3.19Å; S745-A749 VanDerWaalsContact O-N 3.14Å; F746-A749 PolarHBondContact O-N 3.37Å; A749-K752 PolarHBondContact O-N 2.81Å; A749-A753 WeakPolarHBondContact O-CB 3.49Å; A749-A753 PolarHBondContact O-N 3.47Å |
| 750 | F | 98.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.009 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64 | -49 | -179.8 | -179 | -91.3 | 0 | 0 | 0 | 112.2 | V605 V712 F746 E748 K752 A753 V754 Y764 L820 I823 | V605-F750 HydrophobicContact CG1-CE2 4.29Å; V712-F750 HydrophobicContact CG1-CB 4.36Å; V712-F750 HydrophobicContact CG1-CD2 3.94Å; V712-F750 HydrophobicContact CG2-CB 4.33Å; F746-F750 HydrophobicContact CD1-CB 4.45Å; F746-F750 HydrophobicContact CE1-CB 4.13Å; F746-F750 HydrophobicContact CE1-CD2 4.4Å; F746-F750 HydrophobicContact CE1-CG 4.3Å; F746-F750 HydrophobicContact CZ-CB 4.22Å; F746-F750 AromaticContact CZ-CD2 3.94Å; F746-F750 HydrophobicContact CZ-CD2 3.94Å; F746-F750 HydrophobicContact CZ-CG 4.25Å; F746-F750 WeakPolarHBondContact O-CB 3.31Å; F746-F750 PolarHBondContact O-N 2.94Å; E748-F750 PolarHBondContact O-N 2.85Å; F750-K752 VanDerWaalsContact C-N 3.34Å; F750-K752 PolarHBondContact O-N 3.3Å; F750-A753 PolarHBondContact O-N 3.28Å; F750-V754 HydrophobicContact CD1-CG2 4.09Å; F750-V754 HydrophobicContact CE1-CG2 3.65Å; F750-V754 HydrophobicContact CE2-CG2 4.24Å; F750-V754 HydrophobicContact CZ-CG2 3.72Å; F750-V754 WeakPolarHBondContact O-CG2 3.48Å; F750-V754 PolarHBondContact O-N 3.34Å; F750-Y764 HydrophobicContact CE1-CD1 4.38Å; F750-Y764 AromaticContact CE1-CD2 3.54Å; F750-Y764 HydrophobicContact CE1-CD2 3.54Å; F750-Y764 AromaticContact CE1-CE2 4Å; F750-Y764 HydrophobicContact CE1-CE2 4Å; F750-Y764 AromaticContact CE1-CG 3.73Å; F750-Y764 HydrophobicContact CE1-CG 3.73Å; F750-Y764 HydrophobicContact CZ-CD2 4.03Å; F750-Y764 HydrophobicContact CZ-CE2 4.12Å; F750-L820 HydrophobicContact CD1-CD2 3.75Å; F750-L820 HydrophobicContact CD2-CD2 4.32Å; F750-L820 HydrophobicContact CE1-CD2 3.36Å; F750-L820 HydrophobicContact CE2-CD2 4.01Å; F750-L820 HydrophobicContact CG-CD2 4.23Å; F750-L820 HydrophobicContact CZ-CD2 3.52Å; F750-I823 HydrophobicContact CD1-CD1 3.96Å |
| 751 | Q | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 179.3 | -75.5 | -136.6 | 84.7 | 0 | 0 | 112.7 | E747 R755 I823 L849 G850 F851 M855 | E747-Q751 WeakPolarHBondContact O-CB 3.31Å; E747-Q751 WeakPolarHBondContact O-CG 3.49Å; E747-Q751 PolarHBondContact O-N 2.87Å; Q751-R755 WeakPolarHBondContact O-CG 3.45Å; Q751-R755 PolarHBondContact O-N 3.19Å; Q751-R755 VanDerWaalsContact O-N 3.11Å; Q751-I823 HydrophobicContact CG-CD1 3.84Å; Q751-I823 HydrophobicContact CG-CG1 4.42Å; Q751-I823 HydrophobicContact CG-CG2 4.11Å; Q751-L849 PolarHBondContact NE2-O 2.87Å; Q751-G850 WeakPolarHBondContact CB-O 3.39Å; Q751-F851 VanDerWaalsContact NE2-CE2 3.34Å; Q751-M855 PolarHBondContact OE1-SD 3.3Å |
| 752 | K | 97.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.7 | -51.8 | 171.5 | -78.2 | 179.5 | 175.7 | -162.4 | 0 | 111.3 | I742 E748 A749 F750 V754 R755 M756 F899 D972 | I742-K752 VanDerWaalsContact O-CD 3.28Å; I742-K752 WeakPolarHBondContact O-CD 3.47Å; I742-K752 PolarHBondContact O-NZ 3.15Å; E748-K752 HydrophobicContact CG-CD 4.4Å; E748-K752 WeakPolarHBondContact O-CB 3.41Å; E748-K752 WeakPolarHBondContact O-CG 3.48Å; E748-K752 PolarHBondContact O-N 3.45Å; E748-K752 VanDerWaalsContact O-N 3.08Å; A749-K752 PolarHBondContact O-N 2.81Å; F750-K752 VanDerWaalsContact C-N 3.34Å; F750-K752 PolarHBondContact O-N 3.3Å; K752-V754 VanDerWaalsContact C-N 3.35Å; K752-V754 PolarHBondContact O-N 3.09Å; K752-R755 PolarHBondContact O-N 3.06Å; K752-M756 HydrophobicContact CB-CE 3.92Å; K752-M756 HydrophobicContact CB-SD 4.48Å; K752-M756 WeakPolarHBondContact O-CG 3.5Å; K752-M756 PolarHBondContact O-N 2.96Å; K752-M756 VanDerWaalsContact O-SD 3.4Å; K752-F899 PolarHBondContact NZ-O 3.33Å; K752-D972 IonicContact NZ-OD1 2.66Å; K752-D972 IonicContact NZ-OD2 3.11Å; K752-D972 PolarHBondContact NZ-OD2 3.35Å |
| 753 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56 | -50 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | V712 V714 S739 A749 F750 R755 M756 V757 | V712-A753 HydrophobicContact CB-CB 4.46Å; V712-A753 HydrophobicContact CG1-CB 4.3Å; V712-A753 WeakPolarHBondContact O-CB 3.27Å; V714-A753 HydrophobicContact CB-CB 4.3Å; V714-A753 HydrophobicContact CG2-CB 3.65Å; S739-A753 PolarHBondContact OG-O 3.44Å; A749-A753 WeakPolarHBondContact O-CB 3.49Å; A749-A753 PolarHBondContact O-N 3.47Å; F750-A753 PolarHBondContact O-N 3.28Å; A753-R755 VanDerWaalsContact C-N 3.33Å; A753-R755 PolarHBondContact O-N 3.48Å; A753-M756 WeakPolarHBondContact O-CB 3.42Å; A753-M756 PolarHBondContact O-N 2.82Å; A753-M756 VanDerWaalsContact O-N 3.07Å; A753-V757 WeakPolarHBondContact O-CG2 3.47Å; A753-V757 PolarHBondContact O-N 3.5Å; A753-V757 VanDerWaalsContact O-N 3.17Å |
| 754 | V | 96.2 | Very high | 93.9 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 179.7 | 169.5 | 0 | 0 | 0 | 0 | 113 | V714 F750 K752 I761 F791 | V714-V754 HydrophobicContact CG2-CG2 4.16Å; F750-V754 HydrophobicContact CD1-CG2 4.09Å; F750-V754 HydrophobicContact CE1-CG2 3.65Å; F750-V754 HydrophobicContact CE2-CG2 4.24Å; F750-V754 HydrophobicContact CZ-CG2 3.72Å; F750-V754 WeakPolarHBondContact O-CG2 3.48Å; F750-V754 PolarHBondContact O-N 3.34Å; K752-V754 VanDerWaalsContact C-N 3.35Å; K752-V754 PolarHBondContact O-N 3.09Å; V754-I761 HydrophobicContact CG1-CG2 3.53Å; V754-F791 HydrophobicContact CG1-CE1 4.21Å; V754-F791 HydrophobicContact CG1-CZ 3.86Å |
| 755 | R | 95.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 5% | 0.045 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | 175.1 | -72.4 | -174.9 | -68.4 | 147.9 | -9 | 112.8 | Q751 K752 A753 V757 D758 L762 G850 E973 | Q751-R755 WeakPolarHBondContact O-CG 3.45Å; Q751-R755 PolarHBondContact O-N 3.19Å; Q751-R755 VanDerWaalsContact O-N 3.11Å; K752-R755 PolarHBondContact O-N 3.06Å; A753-R755 VanDerWaalsContact C-N 3.33Å; A753-R755 PolarHBondContact O-N 3.48Å; R755-V757 VanDerWaalsContact C-N 3.28Å; R755-V757 PolarHBondContact O-N 2.73Å; R755-D758 CarbonylContact O-C 3.54Å; R755-D758 PolarHBondContact O-N 2.9Å; R755-L762 VanDerWaalsContact CD-O 3.23Å; R755-L762 WeakPolarHBondContact CD-O 3.37Å; R755-L762 WeakPolarHBondContact CG-O 3.19Å; R755-G850 PolarHBondContact NH2-O 2.8Å; R755-E973 IonicContact CZ-OE2 3.98Å; R755-E973 IonicContact NE-OE2 3.8Å; R755-E973 IonicContact NH1-OE2 3.67Å; R755-E973 PolarHBondContact NH1-OE2 3.06Å; R755-E973 IonicContact NH2-OE2 3.82Å |
| 756 | M | 94.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 18.4 Ų | 18.4 | 7% | 0.069 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -25.9 | -178.8 | -68.1 | 159.1 | -179.7 | 0 | 0 | 112.7 | K752 A753 D758 V922 C954 E973 | K752-M756 HydrophobicContact CB-CE 3.92Å; K752-M756 HydrophobicContact CB-SD 4.48Å; K752-M756 WeakPolarHBondContact O-CG 3.5Å; K752-M756 PolarHBondContact O-N 2.96Å; K752-M756 VanDerWaalsContact O-SD 3.4Å; A753-M756 WeakPolarHBondContact O-CB 3.42Å; A753-M756 PolarHBondContact O-N 2.82Å; A753-M756 VanDerWaalsContact O-N 3.07Å; M756-D758 VanDerWaalsContact C-N 3.34Å; M756-D758 PolarHBondContact O-N 3.05Å; M756-V922 HydrophobicContact CB-CG2 4.36Å; M756-V922 WeakPolarHBondContact O-CG2 3.39Å; M756-C954 HydrophobicContact CB-CB 4.34Å; M756-C954 HydrophobicContact CE-CB 4.16Å; M756-C954 HydrophobicContact CG-CB 3.87Å; M756-C954 HydrophobicContact SD-CB 3.74Å; M756-E973 HydrophobicContact CE-CB 3.95Å; M756-E973 HydrophobicContact CG-CB 3.91Å; M756-E973 HydrophobicContact CG-CG 3.96Å |
| 757 | V | 92.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | V714 R716 S739 A753 R755 | V714-V757 HydrophobicContact CB-CG2 3.8Å; V714-V757 HydrophobicContact CG1-CG2 3.59Å; R716-V757 HydrophobicContact CB-CG1 4.28Å; R716-V757 WeakPolarHBondContact CD-O 3.42Å; S739-V757 WeakPolarHBondContact OG-CG2 3.43Å; A753-V757 WeakPolarHBondContact O-CG2 3.47Å; A753-V757 PolarHBondContact O-N 3.5Å; A753-V757 VanDerWaalsContact O-N 3.17Å; R755-V757 VanDerWaalsContact C-N 3.28Å; R755-V757 PolarHBondContact O-N 2.73Å |
| 758 | D | 87.6 | Confident | 92.8 | Very high | 32 Ų | 32 | 25.8 Ų | 25.8 | 17% | 0.171 | 14% | 0.136 | C | C | . | . | trans | -154 | 130.5 | -175.6 | -162.9 | -64.1 | 0 | 0 | 0 | 111 | R716 R755 M756 S760 I761 | R716-D758 IonicContact CZ-OD2 2.66Å; R716-D758 VanDerWaalsContact CZ-OD2 3.26Å; R716-D758 IonicContact NH1-OD2 3.3Å; R716-D758 PolarHBondContact NH1-OD2 3.08Å; R716-D758 IonicContact NH2-OD2 3.46Å; R716-D758 PolarHBondContact NH2-OD2 3.19Å; R755-D758 CarbonylContact O-C 3.54Å; R755-D758 PolarHBondContact O-N 2.9Å; M756-D758 VanDerWaalsContact C-N 3.34Å; M756-D758 PolarHBondContact O-N 3.05Å; D758-S760 PolarHBondContact O-N 2.84Å; D758-S760 WeakPolarHBondContact OD1-CB 3.49Å; D758-S760 PolarHBondContact OD1-N 2.9Å; D758-S760 PolarHBondContact OD1-OG 3.36Å; D758-I761 HydrophobicContact CB-CD1 3.81Å; D758-I761 HydrophobicContact CB-CG1 4.02Å; D758-I761 WeakPolarHBondContact O-CB 3.09Å; D758-I761 PolarHBondContact O-N 2.84Å | ||
| 759 | E | 82.2 | Confident | 92 | Very high | 87 Ų | 87 | 27 Ų | 27 | 41% | 0.407 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.7 | -178 | 69.3 | -167.8 | 152.3 | 0 | 0 | 114 | L999 N1002 | E759-L999 HydrophobicContact CB-CD1 4.45Å; E759-N1002 PolarHBondContact OE2-ND2 2.83Å |
| 760 | S | 82.4 | Confident | 90.6 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 60% | 0.601 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.6 | 173.5 | 66 | 0 | 0 | 0 | 0 | 113.8 | D758 | D758-S760 PolarHBondContact O-N 2.84Å; D758-S760 WeakPolarHBondContact OD1-CB 3.49Å; D758-S760 PolarHBondContact OD1-N 2.9Å; D758-S760 PolarHBondContact OD1-OG 3.36Å |
| 761 | I | 90.6 | Very high | 88.8 | Confident | 29 Ų | 29 | 35 Ų | 35 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | trans | -91.3 | 109.9 | 179.8 | -61.6 | 172.5 | 0 | 0 | 0 | 108.9 | V754 D758 G763 F791 | V754-I761 HydrophobicContact CG1-CG2 3.53Å; D758-I761 HydrophobicContact CB-CD1 3.81Å; D758-I761 HydrophobicContact CB-CG1 4.02Å; D758-I761 WeakPolarHBondContact O-CB 3.09Å; D758-I761 PolarHBondContact O-N 2.84Å; I761-G763 VanDerWaalsContact C-N 3.28Å; I761-G763 WeakPolarHBondContact CG2-O 3.4Å; I761-G763 PolarHBondContact O-N 3.3Å; I761-F791 HydrophobicContact CD1-CE2 4.36Å; I761-F791 HydrophobicContact CD1-CZ 4.1Å; I761-F791 HydrophobicContact CG2-CE1 4.28Å; I761-F791 HydrophobicContact CG2-CZ 3.89Å | ||
| 762 | L | 91.6 | Very high | 86.8 | Confident | 58 Ų | 58 | 38 Ų | 38 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | trans | -75 | -17.3 | -179.2 | -58.5 | -176.7 | 0 | 0 | 0 | 113.9 | R755 S852 R854 M855 A858 | R755-L762 VanDerWaalsContact CD-O 3.23Å; R755-L762 WeakPolarHBondContact CD-O 3.37Å; R755-L762 WeakPolarHBondContact CG-O 3.19Å; L762-S852 PolarHBondContact O-OG 3.5Å; L762-R854 HydrophobicContact CD2-CB 4.09Å; L762-M855 HydrophobicContact CB-CB 4.3Å; L762-M855 HydrophobicContact CB-CG 4.44Å; L762-A858 HydrophobicContact CD1-CB 4Å | ||
| 763 | G | 94.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 154.9 | -162.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I761 D765 | I761-G763 VanDerWaalsContact C-N 3.28Å; I761-G763 WeakPolarHBondContact CG2-O 3.4Å; I761-G763 PolarHBondContact O-N 3.3Å; G763-D765 PolarHBondContact O-N 3.03Å |
| 764 | Y | 96.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -77 | 74.3 | 177.8 | -170.2 | -122.3 | 0 | 0 | 0 | 110.9 | F750 P766 M790 F791 A794 L820 I823 V824 | F750-Y764 HydrophobicContact CE1-CD1 4.38Å; F750-Y764 AromaticContact CE1-CD2 3.54Å; F750-Y764 HydrophobicContact CE1-CD2 3.54Å; F750-Y764 AromaticContact CE1-CE2 4Å; F750-Y764 HydrophobicContact CE1-CE2 4Å; F750-Y764 AromaticContact CE1-CG 3.73Å; F750-Y764 HydrophobicContact CE1-CG 3.73Å; F750-Y764 HydrophobicContact CZ-CD2 4.03Å; F750-Y764 HydrophobicContact CZ-CE2 4.12Å; Y764-P766 WeakPolarHBondContact O-CD 3.39Å; Y764-M790 HydrophobicContact CE2-CB 4.03Å; Y764-M790 WeakPolarHBondContact CE2-O 3.31Å; Y764-M790 PolarHBondContact OH-O 3.46Å; Y764-F791 HydrophobicContact CD2-CD1 4.49Å; Y764-A794 HydrophobicContact CD1-CB 4.25Å; Y764-A794 HydrophobicContact CD2-CB 4.31Å; Y764-A794 HydrophobicContact CE1-CB 3.67Å; Y764-A794 HydrophobicContact CE2-CB 3.76Å; Y764-A794 VanDerWaalsContact CZ-CB 3.41Å; Y764-A794 WeakPolarHBondContact OH-CA 3.19Å; Y764-A794 PolarHBondContact OH-N 3.05Å; Y764-A794 VanDerWaalsContact OH-N 3.08Å; Y764-L820 HydrophobicContact CD1-CD2 4.18Å; Y764-L820 HydrophobicContact CE1-CB 3.85Å; Y764-L820 HydrophobicContact CE1-CD2 3.74Å; Y764-L820 HydrophobicContact CE1-CG 4.28Å; Y764-L820 HydrophobicContact CE2-CD2 4.24Å; Y764-I823 HydrophobicContact CD1-CB 4.17Å; Y764-I823 HydrophobicContact CD1-CD1 4.32Å; Y764-I823 HydrophobicContact CD1-CG2 4.08Å; Y764-V824 HydrophobicContact CD1-CG2 4.09Å; Y764-V824 HydrophobicContact CE1-CG2 3.79Å |
| 765 | D | 93.5 | Very high | 83 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | trans | -85.1 | 113.7 | -172.4 | -171.9 | -18.2 | 0 | 0 | 0 | 112.1 | G763 F767 L768 Y827 | G763-D765 PolarHBondContact O-N 3.03Å; D765-F767 PolarHBondContact O-N 2.76Å; D765-F767 WeakPolarHBondContact OD1-CA 3.46Å; D765-F767 WeakPolarHBondContact OD1-CB 3.42Å; D765-F767 PolarHBondContact OD1-N 3.43Å; D765-L768 HydrophobicContact CB-CB 4.22Å; D765-L768 PolarHBondContact O-N 3.22Å; D765-Y827 HydrophobicContact CB-CE2 4.01Å; D765-Y827 VanDerWaalsContact CG-OH 3.22Å; D765-Y827 WeakPolarHBondContact OD1-CE2 3.5Å; D765-Y827 VanDerWaalsContact OD1-CZ 3.28Å; D765-Y827 PolarHBondContact OD1-OH 3.08Å; D765-Y827 PolarHBondContact OD2-OH 2.9Å; D765-Y827 VanDerWaalsContact OD2-OH 3.05Å | ||
| 766 | P | 92.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -4.9 | 178.1 | 31.1 | -33.8 | 0 | 0 | 0 | 114.1 | Y764 A794 S795 R798 V824 Y827 | Y764-P766 WeakPolarHBondContact O-CD 3.39Å; P766-A794 HydrophobicContact CB-CB 4.06Å; P766-A794 WeakPolarHBondContact CB-O 3.31Å; P766-S795 PolarHBondContact O-OG 3.27Å; P766-R798 HydrophobicContact CB-CB 3.91Å; P766-R798 HydrophobicContact CB-CG 4.42Å; P766-R798 PolarHBondContact O-NH1 2.95Å; P766-V824 HydrophobicContact CB-CG1 4.09Å; P766-V824 HydrophobicContact CB-CG2 4.25Å; P766-V824 HydrophobicContact CG-CG1 4.18Å; P766-Y827 HydrophobicContact CG-CD1 3.93Å; P766-Y827 HydrophobicContact CG-CD2 4.17Å; P766-Y827 HydrophobicContact CG-CE1 4.32Å; P766-Y827 HydrophobicContact CG-CG 3.91Å |
| 767 | F | 88 | Confident | 81.6 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -6.5 | 177.3 | -63 | -92.8 | 0 | 0 | 0 | 113.7 | D765 L769 R798 Y827 K831 | D765-F767 PolarHBondContact O-N 2.76Å; D765-F767 WeakPolarHBondContact OD1-CA 3.46Å; D765-F767 WeakPolarHBondContact OD1-CB 3.42Å; D765-F767 PolarHBondContact OD1-N 3.43Å; F767-L769 PolarHBondContact O-N 3.3Å; F767-R798 HydrophobicContact CZ-CG 4.34Å; F767-Y827 HydrophobicContact CD2-CD1 4.09Å; F767-Y827 AromaticContact CD2-CE1 3.39Å; F767-Y827 HydrophobicContact CD2-CE1 3.39Å; F767-Y827 AromaticContact CD2-CZ 3.85Å; F767-Y827 AromaticContact CE2-CD1 3.79Å; F767-Y827 HydrophobicContact CE2-CD1 3.79Å; F767-Y827 AromaticContact CE2-CE1 3.42Å; F767-Y827 HydrophobicContact CE2-CE1 3.42Å; F767-Y827 VanDerWaalsContact CE2-CE1 3.42Å; F767-K831 HydrophobicContact CD2-CD 4.43Å; F767-K831 HydrophobicContact CE2-CD 3.83Å; F767-K831 VanDerWaalsContact CG-NZ 3.33Å; F767-K831 HydrophobicContact CZ-CD 4.01Å |
| 768 | L | 84.6 | Confident | 81.4 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -57.5 | -36.4 | -179 | -177.4 | 64.6 | 0 | 0 | 0 | 112.3 | D765 F791 | D765-L768 HydrophobicContact CB-CB 4.22Å; D765-L768 PolarHBondContact O-N 3.22Å; L768-F791 HydrophobicContact CD2-CD1 3.72Å; L768-F791 HydrophobicContact CD2-CD2 4.15Å; L768-F791 HydrophobicContact CD2-CE1 3.81Å; L768-F791 HydrophobicContact CD2-CE2 4.24Å; L768-F791 HydrophobicContact CD2-CG 3.89Å; L768-F791 HydrophobicContact CD2-CZ 4.08Å |
| 769 | L | 82.9 | Confident | 81.5 | Confident | 25 Ų | 25 | 63 Ų | 63 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -110.9 | 129.9 | 173.8 | -57.6 | 178.8 | 0 | 0 | 0 | 108.6 | F767 P771 K788 F791 Y792 S795 | F767-L769 PolarHBondContact O-N 3.3Å; L769-P771 WeakPolarHBondContact O-CD 3.34Å; L769-K788 HydrophobicContact CD1-CB 4.22Å; L769-K788 HydrophobicContact CD2-CD 4.31Å; L769-F791 HydrophobicContact CD1-CB 3.78Å; L769-F791 HydrophobicContact CG-CB 4.2Å; L769-Y792 HydrophobicContact CD1-CD1 4Å; L769-Y792 HydrophobicContact CD1-CD2 3.84Å; L769-Y792 HydrophobicContact CD1-CE1 3.89Å; L769-Y792 HydrophobicContact CD1-CE2 3.71Å; L769-Y792 HydrophobicContact CD1-CG 3.98Å; L769-S795 PolarHBondContact O-OG 3.03Å |
| 770 | I | 66.9 | Low | 81.8 | Confident | 154 Ų | 154 | 62.9 Ų | 62.9 | 79% | 0.79 | 33% | 0.329 | S | S | * | . | trans | -89.9 | 104.5 | 170.1 | -56.8 | 173.7 | 0 | 0 | 0 | 106.1 | A772 | I770-A772 PolarHBondContact O-N 3.26Å; I770-A772 VanDerWaalsContact O-N 3.11Å | ||
| 771 | P | 61.2 | Low | 82.1 | Confident | 18 Ų | 18 | 62 Ų | 62 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | trans | -63.2 | 119.4 | 170.2 | 26.8 | -32 | 0 | 0 | 0 | 107.1 | L769 W773 F778 E799 | L769-P771 WeakPolarHBondContact O-CD 3.34Å; P771-W773 PolarHBondContact O-N 2.92Å; P771-F778 HydrophobicContact CB-CD2 3.88Å; P771-F778 HydrophobicContact CB-CE2 4.35Å; P771-E799 HydrophobicContact CG-CG 4.43Å | ||
| 772 | A | 56.5 | Low | 82.1 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 52% | 0.521 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -60.9 | 98.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | I770 L774 T775 | I770-A772 PolarHBondContact O-N 3.26Å; I770-A772 VanDerWaalsContact O-N 3.11Å; A772-L774 PolarHBondContact O-N 2.98Å; A772-T775 WeakPolarHBondContact O-CB 3.5Å; A772-T775 WeakPolarHBondContact O-CG2 3.34Å; A772-T775 PolarHBondContact O-N 2.75Å; A772-T775 PolarHBondContact O-OG1 2.86Å |
| 773 | W | 63.1 | Low | 82 | Confident | 245 Ų | 245 | 63 Ų | 63 | 93% | 0.928 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.6 | 74.9 | 170.6 | -61.2 | 83.8 | 0 | 0 | 0 | 115.9 | P771 T775 | P771-W773 PolarHBondContact O-N 2.92Å; W773-T775 VanDerWaalsContact O-CA 3.32Å; W773-T775 WeakPolarHBondContact O-CA 3.23Å; W773-T775 WeakPolarHBondContact O-CG2 3.34Å; W773-T775 PolarHBondContact O-N 3.07Å |
| 774 | L | 67 | Low | 81.7 | Confident | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.293 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 27.9 | 43.4 | 174.4 | -68.1 | 170.6 | 0 | 0 | 0 | 115.2 | A772 F778 W779 E799 Q801 | A772-L774 PolarHBondContact O-N 2.98Å; L774-F778 HydrophobicContact CD2-CD1 3.69Å; L774-F778 HydrophobicContact CD2-CE1 3.5Å; L774-F778 HydrophobicContact CD2-CG 4.38Å; L774-F778 HydrophobicContact CD2-CZ 4.04Å; L774-W779 HydrophobicContact CD2-CZ2 4.19Å; L774-W779 PolarHBondContact O-NE1 2.9Å; L774-E799 HydrophobicContact CD1-CB 4.49Å; L774-E799 HydrophobicContact CD2-CB 4.5Å; L774-Q801 HydrophobicContact CD1-CG 4.41Å; L774-Q801 HydrophobicContact CD2-CG 3.99Å |
| 775 | T | 78.7 | Confident | 81.4 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | trans | -73.8 | 168.9 | -167.8 | 41 | 0 | 0 | 0 | 0 | 109.6 | A772 W773 A777 F778 W779 | A772-T775 WeakPolarHBondContact O-CB 3.5Å; A772-T775 WeakPolarHBondContact O-CG2 3.34Å; A772-T775 PolarHBondContact O-N 2.75Å; A772-T775 PolarHBondContact O-OG1 2.86Å; W773-T775 VanDerWaalsContact O-CA 3.32Å; W773-T775 WeakPolarHBondContact O-CA 3.23Å; W773-T775 WeakPolarHBondContact O-CG2 3.34Å; W773-T775 PolarHBondContact O-N 3.07Å; T775-A777 PolarHBondContact O-N 2.81Å; T775-A777 VanDerWaalsContact O-N 3.11Å; T775-F778 WeakPolarHBondContact O-CB 3.5Å; T775-F778 PolarHBondContact O-N 3.22Å; T775-W779 PolarHBondContact O-N 3.49Å | ||
| 776 | I | 79 | Confident | 81.4 | Confident | 134 Ų | 134 | 70.4 Ų | 70.4 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -50.4 | -37.3 | 168.9 | -63.5 | 171.7 | 0 | 0 | 0 | 110.8 | F778 W779 Q780 | I776-F778 PolarHBondContact O-N 3.08Å; I776-W779 PolarHBondContact O-N 3.35Å; I776-Q780 HydrophobicContact CG2-CG 4.45Å; I776-Q780 WeakPolarHBondContact O-CB 3.36Å; I776-Q780 VanDerWaalsContact O-CG 3.29Å; I776-Q780 WeakPolarHBondContact O-CG 3.25Å; I776-Q780 PolarHBondContact O-N 2.96Å |
| 777 | A | 82 | Confident | 81.3 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | T775 K781 | T775-A777 PolarHBondContact O-N 2.81Å; T775-A777 VanDerWaalsContact O-N 3.11Å; A777-K781 VanDerWaalsContact O-CG 3.3Å; A777-K781 WeakPolarHBondContact O-CG 2.96Å; A777-K781 PolarHBondContact O-N 3.28Å |
| 778 | F | 88 | Confident | 81.5 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 2% | 0.022 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -52.4 | 174.4 | 168.3 | -93.9 | 0 | 0 | 0 | 110.9 | P771 L774 T775 I776 Q780 K781 V782 Y792 | P771-F778 HydrophobicContact CB-CD2 3.88Å; P771-F778 HydrophobicContact CB-CE2 4.35Å; L774-F778 HydrophobicContact CD2-CD1 3.69Å; L774-F778 HydrophobicContact CD2-CE1 3.5Å; L774-F778 HydrophobicContact CD2-CG 4.38Å; L774-F778 HydrophobicContact CD2-CZ 4.04Å; T775-F778 WeakPolarHBondContact O-CB 3.5Å; T775-F778 PolarHBondContact O-N 3.22Å; I776-F778 PolarHBondContact O-N 3.08Å; F778-Q780 VanDerWaalsContact C-N 3.28Å; F778-Q780 PolarHBondContact O-N 3.07Å; F778-K781 WeakPolarHBondContact O-CA 3.48Å; F778-K781 WeakPolarHBondContact O-CB 3.21Å; F778-K781 PolarHBondContact O-N 3Å; F778-V782 HydrophobicContact CE1-CG2 3.94Å; F778-V782 HydrophobicContact CE2-CG2 4.35Å; F778-V782 HydrophobicContact CZ-CG2 3.85Å; F778-V782 PolarHBondContact O-N 3.12Å; F778-Y792 AromaticContact CD2-CD1 3.9Å; F778-Y792 HydrophobicContact CD2-CD1 3.9Å; F778-Y792 HydrophobicContact CE2-CD1 4.14Å; F778-Y792 VanDerWaalsContact CE2-O 3.29Å; F778-Y792 WeakPolarHBondContact CE2-O 3.49Å; F778-Y792 WeakPolarHBondContact CZ-O 3.43Å |
| 779 | W | 89.7 | Confident | 81.9 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -37.2 | -178.6 | -67.6 | 113.9 | 0 | 0 | 0 | 112.3 | L774 T775 I776 K781 V782 E783 Q801 T805 L806 I809 | L774-W779 HydrophobicContact CD2-CZ2 4.19Å; L774-W779 PolarHBondContact O-NE1 2.9Å; T775-W779 PolarHBondContact O-N 3.49Å; I776-W779 PolarHBondContact O-N 3.35Å; W779-K781 PolarHBondContact O-N 2.97Å; W779-V782 PolarHBondContact O-N 3.37Å; W779-V782 VanDerWaalsContact O-N 3.14Å; W779-E783 WeakPolarHBondContact O-CB 3.4Å; W779-E783 PolarHBondContact O-N 3.14Å; W779-Q801 HydrophobicContact CH2-CB 4.43Å; W779-Q801 HydrophobicContact CH2-CG 3.91Å; W779-Q801 VanDerWaalsContact CH2-OE1 3.3Å; W779-Q801 HydrophobicContact CZ2-CG 4.38Å; W779-T805 HydrophobicContact CH2-CG2 3.83Å; W779-T805 HydrophobicContact CZ3-CG2 4.09Å; W779-L806 HydrophobicContact CZ3-CD2 4.14Å; W779-I809 HydrophobicContact CD2-CD1 4.1Å; W779-I809 HydrophobicContact CE3-CD1 3.31Å; W779-I809 HydrophobicContact CE3-CG2 4.38Å; W779-I809 HydrophobicContact CH2-CD1 4.21Å; W779-I809 HydrophobicContact CZ3-CD1 3.39Å |
| 780 | Q | 88.5 | Confident | 82.5 | Confident | 84 Ų | 84 | 68 Ų | 68 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -28.8 | 172.7 | -76.8 | 177.6 | -0.8 | 0 | 0 | 113.7 | I776 F778 R784 | I776-Q780 HydrophobicContact CG2-CG 4.45Å; I776-Q780 WeakPolarHBondContact O-CB 3.36Å; I776-Q780 VanDerWaalsContact O-CG 3.29Å; I776-Q780 WeakPolarHBondContact O-CG 3.25Å; I776-Q780 PolarHBondContact O-N 2.96Å; F778-Q780 VanDerWaalsContact C-N 3.28Å; F778-Q780 PolarHBondContact O-N 3.07Å; Q780-R784 WeakPolarHBondContact O-CA 3.31Å; Q780-R784 VanDerWaalsContact O-CB 3.22Å; Q780-R784 WeakPolarHBondContact O-CB 3.21Å; Q780-R784 PolarHBondContact O-N 3.24Å |
| 781 | K | 88.9 | Confident | 83.8 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -82.7 | -21.5 | 177.6 | -65.7 | -71 | -178.4 | -177.6 | 0 | 113.2 | A777 F778 W779 T786 Y792 | A777-K781 VanDerWaalsContact O-CG 3.3Å; A777-K781 WeakPolarHBondContact O-CG 2.96Å; A777-K781 PolarHBondContact O-N 3.28Å; F778-K781 WeakPolarHBondContact O-CA 3.48Å; F778-K781 WeakPolarHBondContact O-CB 3.21Å; F778-K781 PolarHBondContact O-N 3Å; W779-K781 PolarHBondContact O-N 2.97Å; K781-T786 HydrophobicContact CD-CG2 3.86Å; K781-Y792 HydrophobicContact CB-CD1 3.97Å; K781-Y792 HydrophobicContact CB-CD2 3.63Å; K781-Y792 HydrophobicContact CB-CE1 3.98Å; K781-Y792 HydrophobicContact CB-CE2 3.64Å; K781-Y792 HydrophobicContact CB-CG 3.79Å; K781-Y792 HydrophobicContact CD-CE2 4.04Å; K781-Y792 HydrophobicContact CG-CD2 4.36Å; K781-Y792 HydrophobicContact CG-CE1 4.06Å; K781-Y792 HydrophobicContact CG-CE2 3.86Å |
| 782 | V | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.7 | -46 | 169.3 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | F778 W779 R789 I793 L806 I809 | F778-V782 HydrophobicContact CE1-CG2 3.94Å; F778-V782 HydrophobicContact CE2-CG2 4.35Å; F778-V782 HydrophobicContact CZ-CG2 3.85Å; F778-V782 PolarHBondContact O-N 3.12Å; W779-V782 PolarHBondContact O-N 3.37Å; W779-V782 VanDerWaalsContact O-N 3.14Å; V782-R789 PolarHBondContact O-NE 3.06Å; V782-R789 PolarHBondContact O-NH2 3.23Å; V782-I793 HydrophobicContact CG1-CG1 4.32Å; V782-L806 HydrophobicContact CG1-CD2 4.26Å; V782-I809 HydrophobicContact CB-CG2 4.24Å; V782-I809 HydrophobicContact CG1-CB 4.46Å; V782-I809 HydrophobicContact CG1-CG2 3.98Å |
| 783 | E | 90.6 | Very high | 87.2 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.1 | -54.7 | 179.2 | -174 | -170 | -173.3 | 0 | 0 | 111.8 | W779 P785 R789 I809 | W779-E783 WeakPolarHBondContact O-CB 3.4Å; W779-E783 PolarHBondContact O-N 3.14Å; E783-P785 WeakPolarHBondContact O-CD 3.4Å; E783-R789 PolarHBondContact O-NH2 3.45Å; E783-I809 WeakPolarHBondContact CA-O 3.35Å; E783-I809 HydrophobicContact CB-CG2 3.84Å |
| 784 | R | 88 | Confident | 88.8 | Confident | 148 Ų | 148 | 48.2 Ų | 48.2 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -92.4 | 112.2 | -178 | -59.9 | -177.6 | -179.5 | 174.7 | -0.1 | 109.9 | Q780 T786 | Q780-R784 WeakPolarHBondContact O-CA 3.31Å; Q780-R784 VanDerWaalsContact O-CB 3.22Å; Q780-R784 WeakPolarHBondContact O-CB 3.21Å; Q780-R784 PolarHBondContact O-N 3.24Å; R784-T786 PolarHBondContact O-N 3.38Å |
| 785 | P | 90.1 | Very high | 90 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | trans | -55.5 | 136.7 | -174.6 | -24.8 | 34.4 | 0 | 0 | 0 | 112.4 | I599 T728 I729 E783 | I599-P785 HydrophobicContact CD1-CB 3.68Å; I599-P785 HydrophobicContact CD1-CG 3.45Å; I599-P785 VanDerWaalsContact CD1-CG 3.45Å; I599-P785 HydrophobicContact CG1-CB 3.93Å; I599-P785 HydrophobicContact CG1-CG 3.72Å; T728-P785 CarbonylContact C-O 3.57Å; T728-P785 WeakPolarHBondContact CA-O 3.25Å; I729-P785 HydrophobicContact CB-CB 4.16Å; I729-P785 PolarHBondContact N-O 3.23Å; E783-P785 WeakPolarHBondContact O-CD 3.4Å | ||
| 786 | T | 92.5 | Very high | 90.7 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -136.8 | 164 | 173.6 | 61.2 | 0 | 0 | 0 | 0 | 109.6 | T727 K781 R784 K788 R789 | T727-T786 VanDerWaalsContact O-CA 3.24Å; T727-T786 WeakPolarHBondContact O-CA 3.45Å; T727-T786 WeakPolarHBondContact O-CB 3.39Å; K781-T786 HydrophobicContact CD-CG2 3.86Å; R784-T786 PolarHBondContact O-N 3.38Å; T786-K788 PolarHBondContact O-N 2.89Å; T786-R789 VanDerWaalsContact O-CB 3.3Å; T786-R789 WeakPolarHBondContact O-CB 3.43Å; T786-R789 PolarHBondContact O-N 3.35Å; T786-R789 PolarHBondContact OG1-N 2.86Å |
| 787 | D | 90.4 | Very high | 91.4 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -18.3 | 172.5 | 65.1 | -40.6 | 0 | 0 | 0 | 114 | W717 L719 T727 | W717-D787 HydrophobicContact CB-CB 4.36Å; W717-D787 HydrophobicContact CD2-CB 3.98Å; W717-D787 HydrophobicContact CE3-CB 3.89Å; W717-D787 HydrophobicContact CG-CB 4.21Å; L719-D787 HydrophobicContact CD1-CB 4.38Å; T727-D787 WeakPolarHBondContact CB-OD1 3.32Å; T727-D787 PolarHBondContact O-N 3.19Å |
| 788 | K | 91.9 | Very high | 91.9 | Very high | 77 Ų | 77 | 36 Ų | 36 | 34% | 0.335 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 10.1 | 178.9 | -61.9 | -175.5 | 179.3 | -176.8 | 0 | 114.5 | L769 T786 M790 F791 Y792 | L769-K788 HydrophobicContact CD1-CB 4.22Å; L769-K788 HydrophobicContact CD2-CD 4.31Å; T786-K788 PolarHBondContact O-N 2.89Å; K788-M790 VanDerWaalsContact C-N 3.27Å; K788-M790 PolarHBondContact O-N 3.12Å; K788-F791 HydrophobicContact CB-CD2 4.49Å; K788-F791 PolarHBondContact O-N 3.36Å; K788-Y792 HydrophobicContact CB-CD2 4.34Å; K788-Y792 HydrophobicContact CB-CE2 4.06Å; K788-Y792 WeakPolarHBondContact O-CD2 3.29Å; K788-Y792 PolarHBondContact O-N 3.49Å |
| 789 | R | 94.2 | Very high | 92 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50 | -46.5 | -175.2 | -171 | -171.4 | -159 | -173.4 | 6.4 | 112.6 | D595 V782 E783 T786 F791 Y792 I793 S810 | D595-R789 IonicContact OD1-CZ 3.35Å; D595-R789 IonicContact OD1-NH1 2.9Å; D595-R789 PolarHBondContact OD1-NH1 3.45Å; V782-R789 PolarHBondContact O-NE 3.06Å; V782-R789 PolarHBondContact O-NH2 3.23Å; E783-R789 PolarHBondContact O-NH2 3.45Å; T786-R789 VanDerWaalsContact O-CB 3.3Å; T786-R789 WeakPolarHBondContact O-CB 3.43Å; T786-R789 PolarHBondContact O-N 3.35Å; T786-R789 PolarHBondContact OG1-N 2.86Å; R789-F791 VanDerWaalsContact C-N 3.27Å; R789-F791 PolarHBondContact O-N 3.5Å; R789-Y792 WeakPolarHBondContact O-CB 3.32Å; R789-Y792 PolarHBondContact O-N 2.96Å; R789-I793 HydrophobicContact CG-CD1 4.37Å; R789-I793 PolarHBondContact O-N 3.14Å; R789-S810 PolarHBondContact NH2-O 3.39Å |
| 790 | M | 95 | Very high | 91.9 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.6 | -36.7 | -178.3 | -63.9 | -58.3 | 163.9 | 0 | 0 | 112.1 | V594 V605 Y764 K788 I793 A794 I812 | V594-M790 HydrophobicContact CG1-CE 4.14Å; V605-M790 HydrophobicContact CB-CE 4.37Å; V605-M790 HydrophobicContact CG2-CE 3.96Å; V605-M790 HydrophobicContact CG2-CG 4.43Å; Y764-M790 HydrophobicContact CE2-CB 4.03Å; Y764-M790 WeakPolarHBondContact CE2-O 3.31Å; Y764-M790 PolarHBondContact OH-O 3.46Å; K788-M790 VanDerWaalsContact C-N 3.27Å; K788-M790 PolarHBondContact O-N 3.12Å; M790-I793 WeakPolarHBondContact O-CB 3.4Å; M790-I793 PolarHBondContact O-N 2.72Å; M790-I793 HydrophobicContact SD-CD1 4.25Å; M790-A794 PolarHBondContact O-N 2.98Å; M790-I812 HydrophobicContact CE-CD1 3.96Å; M790-I812 HydrophobicContact SD-CD1 4.49Å |
| 791 | F | 94.5 | Very high | 92.1 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75.6 | -27.2 | 177.1 | -59.7 | -73.3 | 0 | 0 | 0 | 113.6 | V754 I761 Y764 L768 L769 K788 R789 A794 S795 | V754-F791 HydrophobicContact CG1-CE1 4.21Å; V754-F791 HydrophobicContact CG1-CZ 3.86Å; I761-F791 HydrophobicContact CD1-CE2 4.36Å; I761-F791 HydrophobicContact CD1-CZ 4.1Å; I761-F791 HydrophobicContact CG2-CE1 4.28Å; I761-F791 HydrophobicContact CG2-CZ 3.89Å; Y764-F791 HydrophobicContact CD2-CD1 4.49Å; L768-F791 HydrophobicContact CD2-CD1 3.72Å; L768-F791 HydrophobicContact CD2-CD2 4.15Å; L768-F791 HydrophobicContact CD2-CE1 3.81Å; L768-F791 HydrophobicContact CD2-CE2 4.24Å; L768-F791 HydrophobicContact CD2-CG 3.89Å; L768-F791 HydrophobicContact CD2-CZ 4.08Å; L769-F791 HydrophobicContact CD1-CB 3.78Å; L769-F791 HydrophobicContact CG-CB 4.2Å; K788-F791 HydrophobicContact CB-CD2 4.49Å; K788-F791 PolarHBondContact O-N 3.36Å; R789-F791 VanDerWaalsContact C-N 3.27Å; R789-F791 PolarHBondContact O-N 3.5Å; F791-A794 WeakPolarHBondContact O-CB 3.5Å; F791-A794 PolarHBondContact O-N 3.47Å; F791-S795 PolarHBondContact O-N 3.01Å; F791-S795 PolarHBondContact O-OG 2.81Å |
| 792 | Y | 94 | Very high | 92.3 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 168.8 | -74.5 | -74.1 | 0 | 0 | 0 | 111.1 | L769 F778 K781 K788 R789 S795 G796 | L769-Y792 HydrophobicContact CD1-CD1 4Å; L769-Y792 HydrophobicContact CD1-CD2 3.84Å; L769-Y792 HydrophobicContact CD1-CE1 3.89Å; L769-Y792 HydrophobicContact CD1-CE2 3.71Å; L769-Y792 HydrophobicContact CD1-CG 3.98Å; F778-Y792 AromaticContact CD2-CD1 3.9Å; F778-Y792 HydrophobicContact CD2-CD1 3.9Å; F778-Y792 HydrophobicContact CE2-CD1 4.14Å; F778-Y792 VanDerWaalsContact CE2-O 3.29Å; F778-Y792 WeakPolarHBondContact CE2-O 3.49Å; F778-Y792 WeakPolarHBondContact CZ-O 3.43Å; K781-Y792 HydrophobicContact CB-CD1 3.97Å; K781-Y792 HydrophobicContact CB-CD2 3.63Å; K781-Y792 HydrophobicContact CB-CE1 3.98Å; K781-Y792 HydrophobicContact CB-CE2 3.64Å; K781-Y792 HydrophobicContact CB-CG 3.79Å; K781-Y792 HydrophobicContact CD-CE2 4.04Å; K781-Y792 HydrophobicContact CG-CD2 4.36Å; K781-Y792 HydrophobicContact CG-CE1 4.06Å; K781-Y792 HydrophobicContact CG-CE2 3.86Å; K788-Y792 HydrophobicContact CB-CD2 4.34Å; K788-Y792 HydrophobicContact CB-CE2 4.06Å; K788-Y792 WeakPolarHBondContact O-CD2 3.29Å; K788-Y792 PolarHBondContact O-N 3.49Å; R789-Y792 WeakPolarHBondContact O-CB 3.32Å; R789-Y792 PolarHBondContact O-N 2.96Å; Y792-S795 PolarHBondContact O-N 2.98Å; Y792-G796 PolarHBondContact O-N 3.25Å |
| 793 | I | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 172.7 | -64.7 | 169.3 | 0 | 0 | 0 | 110.4 | V782 R789 M790 S795 G796 L797 L806 I812 L820 | V782-I793 HydrophobicContact CG1-CG1 4.32Å; R789-I793 HydrophobicContact CG-CD1 4.37Å; R789-I793 PolarHBondContact O-N 3.14Å; M790-I793 WeakPolarHBondContact O-CB 3.4Å; M790-I793 PolarHBondContact O-N 2.72Å; M790-I793 HydrophobicContact SD-CD1 4.25Å; I793-S795 VanDerWaalsContact C-N 3.3Å; I793-S795 PolarHBondContact O-N 2.85Å; I793-G796 PolarHBondContact O-N 2.72Å; I793-G796 VanDerWaalsContact O-N 3.07Å; I793-L797 HydrophobicContact CG2-CD1 4.08Å; I793-L797 HydrophobicContact CG2-CG 4.46Å; I793-L797 WeakPolarHBondContact O-CG 3.46Å; I793-L797 PolarHBondContact O-N 3.11Å; I793-L806 HydrophobicContact CG2-CD1 4.36Å; I793-I812 HydrophobicContact CD1-CD1 3.55Å; I793-L820 HydrophobicContact CG2-CD1 4.41Å |
| 794 | A | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y764 P766 M790 F791 L797 R798 V824 | Y764-A794 HydrophobicContact CD1-CB 4.25Å; Y764-A794 HydrophobicContact CD2-CB 4.31Å; Y764-A794 HydrophobicContact CE1-CB 3.67Å; Y764-A794 HydrophobicContact CE2-CB 3.76Å; Y764-A794 VanDerWaalsContact CZ-CB 3.41Å; Y764-A794 WeakPolarHBondContact OH-CA 3.19Å; Y764-A794 PolarHBondContact OH-N 3.05Å; Y764-A794 VanDerWaalsContact OH-N 3.08Å; P766-A794 HydrophobicContact CB-CB 4.06Å; P766-A794 WeakPolarHBondContact CB-O 3.31Å; M790-A794 PolarHBondContact O-N 2.98Å; F791-A794 WeakPolarHBondContact O-CB 3.5Å; F791-A794 PolarHBondContact O-N 3.47Å; A794-L797 PolarHBondContact O-N 2.94Å; A794-R798 PolarHBondContact O-N 2.79Å; A794-V824 HydrophobicContact CB-CG2 4.33Å |
| 795 | S | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.5 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | P766 L769 F791 Y792 I793 R798 E799 | P766-S795 PolarHBondContact O-OG 3.27Å; L769-S795 PolarHBondContact O-OG 3.03Å; F791-S795 PolarHBondContact O-N 3.01Å; F791-S795 PolarHBondContact O-OG 2.81Å; Y792-S795 PolarHBondContact O-N 2.98Å; I793-S795 VanDerWaalsContact C-N 3.3Å; I793-S795 PolarHBondContact O-N 2.85Å; S795-R798 PolarHBondContact O-N 2.8Å; S795-E799 WeakPolarHBondContact O-CG 3.36Å; S795-E799 PolarHBondContact O-N 2.89Å; S795-E799 VanDerWaalsContact O-N 3.09Å |
| 796 | G | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y792 I793 R798 E799 N800 Q801 | Y792-G796 PolarHBondContact O-N 3.25Å; I793-G796 PolarHBondContact O-N 2.72Å; I793-G796 VanDerWaalsContact O-N 3.07Å; G796-R798 VanDerWaalsContact C-N 3.34Å; G796-R798 PolarHBondContact O-N 2.68Å; G796-E799 CarbonylContact O-C 3.47Å; G796-E799 PolarHBondContact O-N 3.38Å; G796-N800 PolarHBondContact O-N 2.79Å; G796-Q801 VanDerWaalsContact O-CB 3.28Å; G796-Q801 WeakPolarHBondContact O-CB 3.18Å; G796-Q801 VanDerWaalsContact O-CG 3.31Å; G796-Q801 WeakPolarHBondContact O-CG 3.35Å; G796-Q801 PolarHBondContact O-N 2.83Å |
| 797 | L | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.7 | -70.3 | 167.9 | 0 | 0 | 0 | 111.8 | I793 A794 E799 N800 V803 L806 I817 L820 K821 V824 | I793-L797 HydrophobicContact CG2-CD1 4.08Å; I793-L797 HydrophobicContact CG2-CG 4.46Å; I793-L797 WeakPolarHBondContact O-CG 3.46Å; I793-L797 PolarHBondContact O-N 3.11Å; A794-L797 PolarHBondContact O-N 2.94Å; L797-E799 VanDerWaalsContact C-N 3.32Å; L797-E799 PolarHBondContact O-N 2.78Å; L797-N800 WeakPolarHBondContact O-CA 3.21Å; L797-N800 PolarHBondContact O-N 3.15Å; L797-V803 HydrophobicContact CD2-CG2 4.32Å; L797-L806 HydrophobicContact CD2-CD1 3.55Å; L797-L806 HydrophobicContact CG-CD1 3.68Å; L797-I817 HydrophobicContact CD1-CG2 4.45Å; L797-I817 HydrophobicContact CD2-CG2 3.99Å; L797-L820 HydrophobicContact CD1-CB 4.1Å; L797-K821 HydrophobicContact CD1-CB 4.23Å; L797-K821 HydrophobicContact CD2-CB 3.98Å; L797-K821 HydrophobicContact CD2-CD 4.41Å; L797-K821 HydrophobicContact CD2-CG 4.02Å; L797-V824 HydrophobicContact CB-CB 4.28Å; L797-V824 HydrophobicContact CB-CG1 4.04Å; L797-V824 HydrophobicContact CB-CG2 4.16Å; L797-V824 HydrophobicContact CD1-CG2 4.15Å |
| 798 | R | 91.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 18% | 0.177 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 173.9 | -176.4 | -161.7 | 74.9 | -159.5 | 8.5 | 112.5 | P766 F767 A794 S795 G796 N800 V824 | P766-R798 HydrophobicContact CB-CB 3.91Å; P766-R798 HydrophobicContact CB-CG 4.42Å; P766-R798 PolarHBondContact O-NH1 2.95Å; F767-R798 HydrophobicContact CZ-CG 4.34Å; A794-R798 PolarHBondContact O-N 2.79Å; S795-R798 PolarHBondContact O-N 2.8Å; G796-R798 VanDerWaalsContact C-N 3.34Å; G796-R798 PolarHBondContact O-N 2.68Å; R798-N800 PolarHBondContact O-N 2.8Å; R798-N800 VanDerWaalsContact O-N 3.14Å; R798-V824 HydrophobicContact CB-CG1 4.22Å |
| 799 | E | 90.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 37.3 Ų | 37.3 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 21.8 | 174.4 | -60.6 | -55.7 | 137.9 | 0 | 0 | 112.9 | P771 L774 S795 G796 L797 Q801 | P771-E799 HydrophobicContact CG-CG 4.43Å; L774-E799 HydrophobicContact CD1-CB 4.49Å; L774-E799 HydrophobicContact CD2-CB 4.5Å; S795-E799 WeakPolarHBondContact O-CG 3.36Å; S795-E799 PolarHBondContact O-N 2.89Å; S795-E799 VanDerWaalsContact O-N 3.09Å; G796-E799 CarbonylContact O-C 3.47Å; G796-E799 PolarHBondContact O-N 3.38Å; L797-E799 VanDerWaalsContact C-N 3.32Å; L797-E799 PolarHBondContact O-N 2.78Å; E799-Q801 PolarHBondContact O-N 3.35Å; E799-Q801 VanDerWaalsContact O-N 3.13Å; E799-Q801 PolarHBondContact O-NE2 2.91Å |
| 800 | N | 88.9 | Confident | 92.9 | Very high | 139 Ų | 139 | 37.1 Ų | 37.1 | 74% | 0.743 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 29.8 | 177.5 | -61.4 | -60.6 | 0 | 0 | 0 | 114.4 | G796 L797 R798 | G796-N800 PolarHBondContact O-N 2.79Å; L797-N800 WeakPolarHBondContact O-CA 3.21Å; L797-N800 PolarHBondContact O-N 3.15Å; R798-N800 PolarHBondContact O-N 2.8Å; R798-N800 VanDerWaalsContact O-N 3.14Å |
| 801 | Q | 92 | Very high | 92.6 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 20% | 0.201 | 20% | 0.204 | C | C | . | . | trans | -67 | 136.4 | 170.4 | -61.6 | -53 | -66.9 | 0 | 0 | 109.8 | L774 W779 G796 E799 L806 | L774-Q801 HydrophobicContact CD1-CG 4.41Å; L774-Q801 HydrophobicContact CD2-CG 3.99Å; W779-Q801 HydrophobicContact CH2-CB 4.43Å; W779-Q801 HydrophobicContact CH2-CG 3.91Å; W779-Q801 VanDerWaalsContact CH2-OE1 3.3Å; W779-Q801 HydrophobicContact CZ2-CG 4.38Å; G796-Q801 VanDerWaalsContact O-CB 3.28Å; G796-Q801 WeakPolarHBondContact O-CB 3.18Å; G796-Q801 VanDerWaalsContact O-CG 3.31Å; G796-Q801 WeakPolarHBondContact O-CG 3.35Å; G796-Q801 PolarHBondContact O-N 2.83Å; E799-Q801 PolarHBondContact O-N 3.35Å; E799-Q801 VanDerWaalsContact O-N 3.13Å; E799-Q801 PolarHBondContact O-NE2 2.91Å; Q801-L806 HydrophobicContact CB-CD1 4.19Å; Q801-L806 HydrophobicContact CB-CD2 4.4Å; Q801-L806 HydrophobicContact CB-CG 4.13Å | ||
| 802 | S | 92.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | trans | -65.2 | 146.8 | -178.9 | 84.7 | 0 | 0 | 0 | 0 | 111 | F804 T805 L806 | S802-F804 VanDerWaalsContact C-N 3.26Å; S802-F804 PolarHBondContact O-N 2.97Å; S802-T805 PolarHBondContact O-N 3.26Å; S802-T805 VanDerWaalsContact O-N 3.15Å; S802-T805 WeakPolarHBondContact OG-CB 3.15Å; S802-T805 PolarHBondContact OG-N 3.13Å; S802-T805 PolarHBondContact OG-OG1 3.24Å; S802-L806 PolarHBondContact O-N 3.43Å; S802-L806 VanDerWaalsContact O-N 3.09Å | ||
| 803 | V | 92.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.1 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L797 T805 L806 S807 Q814 I817 Y818 K821 | L797-V803 HydrophobicContact CD2-CG2 4.32Å; V803-T805 PolarHBondContact O-N 2.8Å; V803-L806 PolarHBondContact O-N 2.94Å; V803-S807 VanDerWaalsContact O-CB 3.26Å; V803-S807 WeakPolarHBondContact O-CB 3.09Å; V803-S807 PolarHBondContact O-N 3.33Å; V803-Q814 HydrophobicContact CG1-CB 4.02Å; V803-Q814 HydrophobicContact CG1-CG 4.3Å; V803-Q814 WeakPolarHBondContact CG1-O 3.46Å; V803-I817 HydrophobicContact CB-CG2 4.18Å; V803-I817 HydrophobicContact CG1-CB 3.84Å; V803-I817 HydrophobicContact CG1-CG2 3.8Å; V803-I817 HydrophobicContact CG2-CG2 3.99Å; V803-Y818 HydrophobicContact CB-CD1 4.29Å; V803-Y818 HydrophobicContact CB-CD2 4.4Å; V803-Y818 HydrophobicContact CB-CE1 3.87Å; V803-Y818 HydrophobicContact CB-CE2 4.02Å; V803-Y818 HydrophobicContact CG1-CD1 4.3Å; V803-Y818 HydrophobicContact CG1-CD2 3.67Å; V803-Y818 HydrophobicContact CG1-CE1 4.19Å; V803-Y818 HydrophobicContact CG1-CE2 3.57Å; V803-Y818 HydrophobicContact CG1-CG 4.01Å; V803-Y818 HydrophobicContact CG2-CD1 3.66Å; V803-Y818 HydrophobicContact CG2-CE1 3.48Å; V803-Y818 VanDerWaalsContact CG2-CE1 3.48Å; V803-Y818 HydrophobicContact CG2-CE2 4.43Å; V803-Y818 HydrophobicContact CG2-CG 4.16Å; V803-K821 HydrophobicContact CG2-CD 4.19Å |
| 804 | F | 91.2 | Very high | 92.4 | Very high | 125 Ų | 125 | 37.4 Ų | 37.4 | 55% | 0.548 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.1 | -50.2 | 173.9 | 179 | -97.4 | 0 | 0 | 0 | 111.7 | S802 L806 S807 S808 | S802-F804 VanDerWaalsContact C-N 3.26Å; S802-F804 PolarHBondContact O-N 2.97Å; F804-L806 PolarHBondContact O-N 3.12Å; F804-S807 PolarHBondContact O-N 3.34Å; F804-S808 WeakPolarHBondContact O-CB 3.29Å; F804-S808 PolarHBondContact O-N 3.47Å; F804-S808 PolarHBondContact O-OG 3.12Å |
| 805 | T | 93.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 29% | 0.288 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 179.8 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | W779 S802 V803 S807 I809 | W779-T805 HydrophobicContact CH2-CG2 3.83Å; W779-T805 HydrophobicContact CZ3-CG2 4.09Å; S802-T805 PolarHBondContact O-N 3.26Å; S802-T805 VanDerWaalsContact O-N 3.15Å; S802-T805 WeakPolarHBondContact OG-CB 3.15Å; S802-T805 PolarHBondContact OG-N 3.13Å; S802-T805 PolarHBondContact OG-OG1 3.24Å; V803-T805 PolarHBondContact O-N 2.8Å; T805-S807 VanDerWaalsContact C-N 3.33Å; T805-S807 PolarHBondContact O-N 3Å; T805-I809 HydrophobicContact CG2-CD1 3.8Å; T805-I809 WeakPolarHBondContact O-CB 3.28Å; T805-I809 VanDerWaalsContact O-CG1 3.28Å; T805-I809 WeakPolarHBondContact O-CG1 3.15Å; T805-I809 PolarHBondContact O-N 2.83Å; T805-I809 VanDerWaalsContact O-N 3.12Å |
| 806 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 179.3 | -69.7 | 167.8 | 0 | 0 | 0 | 111.4 | W779 V782 I793 L797 Q801 S802 V803 F804 S810 I817 | W779-L806 HydrophobicContact CZ3-CD2 4.14Å; V782-L806 HydrophobicContact CG1-CD2 4.26Å; I793-L806 HydrophobicContact CG2-CD1 4.36Å; L797-L806 HydrophobicContact CD2-CD1 3.55Å; L797-L806 HydrophobicContact CG-CD1 3.68Å; Q801-L806 HydrophobicContact CB-CD1 4.19Å; Q801-L806 HydrophobicContact CB-CD2 4.4Å; Q801-L806 HydrophobicContact CB-CG 4.13Å; S802-L806 PolarHBondContact O-N 3.43Å; S802-L806 VanDerWaalsContact O-N 3.09Å; V803-L806 PolarHBondContact O-N 2.94Å; F804-L806 PolarHBondContact O-N 3.12Å; L806-S810 WeakPolarHBondContact O-CB 3.42Å; L806-S810 PolarHBondContact O-N 3.1Å; L806-S810 PolarHBondContact O-OG 3.07Å; L806-I817 HydrophobicContact CB-CD1 3.77Å; L806-I817 HydrophobicContact CB-CG2 4.25Å; L806-I817 HydrophobicContact CD1-CG2 4.24Å |
| 807 | S | 92.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -50.7 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | V803 F804 T805 I809 S810 G811 I812 Q814 I817 | V803-S807 VanDerWaalsContact O-CB 3.26Å; V803-S807 WeakPolarHBondContact O-CB 3.09Å; V803-S807 PolarHBondContact O-N 3.33Å; F804-S807 PolarHBondContact O-N 3.34Å; T805-S807 VanDerWaalsContact C-N 3.33Å; T805-S807 PolarHBondContact O-N 3Å; S807-I809 PolarHBondContact O-N 2.99Å; S807-S810 PolarHBondContact O-N 3.43Å; S807-G811 WeakPolarHBondContact O-CA 3.24Å; S807-G811 PolarHBondContact O-N 2.96Å; S807-I812 WeakPolarHBondContact CA-O 3.33Å; S807-I812 VanDerWaalsContact CB-O 3.3Å; S807-I812 WeakPolarHBondContact CB-O 3.48Å; S807-I812 PolarHBondContact OG-O 2.77Å; S807-Q814 VanDerWaalsContact CB-CG 3.48Å; S807-Q814 VanDerWaalsContact OG-CG 3.3Å; S807-Q814 WeakPolarHBondContact OG-CG 3.45Å; S807-I817 VanDerWaalsContact N-CD1 3.32Å |
| 808 | S | 91.2 | Very high | 92.3 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.4 | -33.8 | 179.1 | -57.7 | 0 | 0 | 0 | 0 | 113 | F804 | F804-S808 WeakPolarHBondContact O-CB 3.29Å; F804-S808 PolarHBondContact O-N 3.47Å; F804-S808 PolarHBondContact O-OG 3.12Å |
| 809 | I | 91.9 | Very high | 92.4 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 28% | 0.282 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -82.4 | -37.7 | 180 | -66.9 | 171.2 | 0 | 0 | 0 | 111.7 | W779 V782 E783 T805 S807 | W779-I809 HydrophobicContact CD2-CD1 4.1Å; W779-I809 HydrophobicContact CE3-CD1 3.31Å; W779-I809 HydrophobicContact CE3-CG2 4.38Å; W779-I809 HydrophobicContact CH2-CD1 4.21Å; W779-I809 HydrophobicContact CZ3-CD1 3.39Å; V782-I809 HydrophobicContact CB-CG2 4.24Å; V782-I809 HydrophobicContact CG1-CB 4.46Å; V782-I809 HydrophobicContact CG1-CG2 3.98Å; E783-I809 WeakPolarHBondContact CA-O 3.35Å; E783-I809 HydrophobicContact CB-CG2 3.84Å; T805-I809 HydrophobicContact CG2-CD1 3.8Å; T805-I809 WeakPolarHBondContact O-CB 3.28Å; T805-I809 VanDerWaalsContact O-CG1 3.28Å; T805-I809 WeakPolarHBondContact O-CG1 3.15Å; T805-I809 PolarHBondContact O-N 2.83Å; T805-I809 VanDerWaalsContact O-N 3.12Å; S807-I809 PolarHBondContact O-N 2.99Å |
| 810 | S | 93.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -87.4 | -23.4 | -177.4 | 64.1 | 0 | 0 | 0 | 0 | 114 | R789 L806 S807 I812 | R789-S810 PolarHBondContact NH2-O 3.39Å; L806-S810 WeakPolarHBondContact O-CB 3.42Å; L806-S810 PolarHBondContact O-N 3.1Å; L806-S810 PolarHBondContact O-OG 3.07Å; S807-S810 PolarHBondContact O-N 3.43Å; S810-I812 PolarHBondContact O-N 3.34Å; S810-I812 WeakPolarHBondContact OG-CB 3.49Å; S810-I812 PolarHBondContact OG-N 3.34Å; S810-I812 VanDerWaalsContact OG-N 3.17Å |
| 811 | G | 90.2 | Very high | 93 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 31% | 0.309 | 16% | 0.163 | S | C | . | . | trans | 70.4 | 3.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S807 | S807-G811 WeakPolarHBondContact O-CA 3.24Å; S807-G811 PolarHBondContact O-N 2.96Å | ||
| 812 | I | 94.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -74.2 | 136.2 | 174.2 | -64.1 | 171.3 | 0 | 0 | 0 | 108.2 | V594 M790 I793 S807 S810 Q814 F816 I817 | V594-I812 HydrophobicContact CG1-CG2 3.92Å; V594-I812 WeakPolarHBondContact O-CG2 3.12Å; M790-I812 HydrophobicContact CE-CD1 3.96Å; M790-I812 HydrophobicContact SD-CD1 4.49Å; I793-I812 HydrophobicContact CD1-CD1 3.55Å; S807-I812 WeakPolarHBondContact CA-O 3.33Å; S807-I812 VanDerWaalsContact CB-O 3.3Å; S807-I812 WeakPolarHBondContact CB-O 3.48Å; S807-I812 PolarHBondContact OG-O 2.77Å; S810-I812 PolarHBondContact O-N 3.34Å; S810-I812 WeakPolarHBondContact OG-CB 3.49Å; S810-I812 PolarHBondContact OG-N 3.34Å; S810-I812 VanDerWaalsContact OG-N 3.17Å; I812-Q814 PolarHBondContact O-N 2.8Å; I812-F816 HydrophobicContact CG2-CB 3.82Å; I812-F816 HydrophobicContact CG2-CD2 4.24Å; I812-F816 HydrophobicContact CG2-CG 4.45Å; I812-I817 HydrophobicContact CB-CD1 4.26Å; I812-I817 HydrophobicContact CB-CG1 4.33Å; I812-I817 HydrophobicContact CG2-CD1 4.36Å; I812-I817 HydrophobicContact CG2-CG1 3.88Å | ||
| 813 | D | 92.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | trans | -55.7 | 138.3 | 178.8 | -168.3 | -70.7 | 0 | 0 | 0 | 111.3 | K573 T612 W815 F816 I817 | K573-D813 WeakPolarHBondContact CE-OD2 3.21Å; K573-D813 IonicContact NZ-OD2 3.31Å; K573-D813 PolarHBondContact NZ-OD2 3.46Å; T612-D813 HydrophobicContact CG2-CB 4.17Å; D813-W815 PolarHBondContact O-N 3.03Å; D813-W815 VanDerWaalsContact O-N 3.14Å; D813-W815 VanDerWaalsContact OD1-CB 3.24Å; D813-W815 WeakPolarHBondContact OD1-CB 3.22Å; D813-W815 PolarHBondContact OD1-N 3.03Å; D813-F816 HydrophobicContact CB-CD2 3.87Å; D813-F816 HydrophobicContact CB-CE2 4.27Å; D813-F816 PolarHBondContact O-N 3.36Å; D813-F816 VanDerWaalsContact O-N 3.12Å; D813-I817 PolarHBondContact O-N 3.45Å | ||
| 814 | Q | 91.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.6 | -33.2 | -178.8 | -69.7 | -174.5 | 76.8 | 0 | 0 | 112.2 | T98 V803 S807 I812 F816 I817 Y818 | T98-Q814 HydrophobicContact CG2-CB 4.19Å; V803-Q814 HydrophobicContact CG1-CB 4.02Å; V803-Q814 HydrophobicContact CG1-CG 4.3Å; V803-Q814 WeakPolarHBondContact CG1-O 3.46Å; S807-Q814 VanDerWaalsContact CB-CG 3.48Å; S807-Q814 VanDerWaalsContact OG-CG 3.3Å; S807-Q814 WeakPolarHBondContact OG-CG 3.45Å; I812-Q814 PolarHBondContact O-N 2.8Å; Q814-F816 PolarHBondContact O-N 3.45Å; Q814-I817 PolarHBondContact O-N 2.81Å; Q814-Y818 HydrophobicContact CB-CD2 4.41Å; Q814-Y818 HydrophobicContact CB-CE2 4.42Å; Q814-Y818 WeakPolarHBondContact O-CD2 3.24Å; Q814-Y818 PolarHBondContact O-N 3.24Å |
| 815 | W | 91.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.2 | -49 | 177.6 | -176.6 | 92.7 | 0 | 0 | 0 | 111.7 | L57 H92 T98 Q611 T612 F746 D813 I817 Y818 R819 | L57-W815 HydrophobicContact CD2-CH2 4.37Å; L57-W815 HydrophobicContact CD2-CZ2 3.34Å; H92-W815 AromaticContact CE1-CD1 3.77Å; H92-W815 AromaticContact CE1-NE1 3.87Å; H92-W815 AromaticContact ND1-NE1 3.83Å; T98-W815 HydrophobicContact CG2-CB 4.1Å; Q611-W815 HydrophobicContact CB-CD2 4.36Å; Q611-W815 HydrophobicContact CB-CE3 3.81Å; Q611-W815 HydrophobicContact CB-CH2 3.65Å; Q611-W815 HydrophobicContact CB-CZ2 4.2Å; Q611-W815 HydrophobicContact CB-CZ3 3.44Å; Q611-W815 VanDerWaalsContact CB-CZ3 3.44Å; Q611-W815 HydrophobicContact CG-CE3 4.49Å; Q611-W815 HydrophobicContact CG-CH2 3.66Å; Q611-W815 HydrophobicContact CG-CZ3 3.64Å; T612-W815 HydrophobicContact CG2-CB 4.01Å; T612-W815 HydrophobicContact CG2-CD2 4.37Å; T612-W815 HydrophobicContact CG2-CE3 4.18Å; T612-W815 HydrophobicContact CG2-CG 4.32Å; F746-W815 HydrophobicContact CB-CH2 3.96Å; F746-W815 HydrophobicContact CD2-CH2 4.18Å; F746-W815 HydrophobicContact CD2-CZ3 4.11Å; F746-W815 HydrophobicContact CE2-CZ3 4.45Å; F746-W815 HydrophobicContact CG-CH2 4Å; F746-W815 HydrophobicContact CG-CZ3 4.23Å; D813-W815 PolarHBondContact O-N 3.03Å; D813-W815 VanDerWaalsContact O-N 3.14Å; D813-W815 VanDerWaalsContact OD1-CB 3.24Å; D813-W815 WeakPolarHBondContact OD1-CB 3.22Å; D813-W815 PolarHBondContact OD1-N 3.03Å; W815-I817 VanDerWaalsContact C-N 3.33Å; W815-I817 PolarHBondContact O-N 2.96Å; W815-Y818 WeakPolarHBondContact O-CB 3.5Å; W815-Y818 PolarHBondContact O-N 2.89Å; W815-R819 HydrophobicContact CD2-CG 4.06Å; W815-R819 HydrophobicContact CE3-CG 4.04Å; W815-R819 HydrophobicContact CH2-CG 3.61Å; W815-R819 HydrophobicContact CZ2-CG 3.6Å; W815-R819 HydrophobicContact CZ3-CG 3.82Å; W815-R819 WeakPolarHBondContact O-CG 3.37Å; W815-R819 PolarHBondContact O-N 2.92Å |
| 816 | F | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 178.9 | -69.5 | -63.7 | 0 | 0 | 0 | 111.5 | E592 V594 V607 Q611 T612 F746 I812 D813 Q814 Y818 R819 L820 | E592-F816 HydrophobicContact CG-CE2 4.45Å; E592-F816 HydrophobicContact CG-CZ 4.18Å; V594-F816 HydrophobicContact CB-CD2 4.41Å; V594-F816 HydrophobicContact CB-CE2 4.5Å; V594-F816 HydrophobicContact CB-CG 4.45Å; V594-F816 HydrophobicContact CG1-CB 4.07Å; V594-F816 HydrophobicContact CG1-CD1 4.24Å; V594-F816 HydrophobicContact CG1-CD2 4.07Å; V594-F816 HydrophobicContact CG1-CG 3.87Å; V594-F816 HydrophobicContact CG2-CD1 3.86Å; V594-F816 HydrophobicContact CG2-CE1 3.75Å; V594-F816 HydrophobicContact CG2-CE2 4.41Å; V594-F816 HydrophobicContact CG2-CG 4.27Å; V594-F816 HydrophobicContact CG2-CZ 4.05Å; V607-F816 HydrophobicContact CB-CE1 4.45Å; V607-F816 HydrophobicContact CG1-CE1 3.76Å; V607-F816 HydrophobicContact CG1-CZ 3.75Å; Q611-F816 HydrophobicContact CB-CE1 4.18Å; Q611-F816 HydrophobicContact CB-CZ 4.23Å; Q611-F816 HydrophobicContact CG-CE1 4.17Å; T612-F816 HydrophobicContact CG2-CD2 4.36Å; T612-F816 HydrophobicContact CG2-CE2 3.8Å; T612-F816 HydrophobicContact CG2-CZ 4.07Å; F746-F816 AromaticContact CE2-CD1 3.79Å; F746-F816 HydrophobicContact CE2-CD1 3.79Å; F746-F816 AromaticContact CE2-CE1 4Å; F746-F816 HydrophobicContact CE2-CE1 4Å; F746-F816 AromaticContact CZ-CD1 3.88Å; F746-F816 HydrophobicContact CZ-CD1 3.88Å; I812-F816 HydrophobicContact CG2-CB 3.82Å; I812-F816 HydrophobicContact CG2-CD2 4.24Å; I812-F816 HydrophobicContact CG2-CG 4.45Å; D813-F816 HydrophobicContact CB-CD2 3.87Å; D813-F816 HydrophobicContact CB-CE2 4.27Å; D813-F816 PolarHBondContact O-N 3.36Å; D813-F816 VanDerWaalsContact O-N 3.12Å; Q814-F816 PolarHBondContact O-N 3.45Å; F816-Y818 VanDerWaalsContact C-N 3.32Å; F816-Y818 PolarHBondContact O-N 3.46Å; F816-R819 PolarHBondContact O-N 2.91Å; F816-L820 VanDerWaalsContact O-CG 3.3Å; F816-L820 WeakPolarHBondContact O-CG 3.35Å; F816-L820 PolarHBondContact O-N 3.1Å |
| 817 | I | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -36.2 | 179.8 | -58.1 | -171.1 | 0 | 0 | 0 | 111.2 | L797 V803 L806 S807 I812 D813 Q814 W815 L820 K821 | L797-I817 HydrophobicContact CD1-CG2 4.45Å; L797-I817 HydrophobicContact CD2-CG2 3.99Å; V803-I817 HydrophobicContact CB-CG2 4.18Å; V803-I817 HydrophobicContact CG1-CB 3.84Å; V803-I817 HydrophobicContact CG1-CG2 3.8Å; V803-I817 HydrophobicContact CG2-CG2 3.99Å; L806-I817 HydrophobicContact CB-CD1 3.77Å; L806-I817 HydrophobicContact CB-CG2 4.25Å; L806-I817 HydrophobicContact CD1-CG2 4.24Å; S807-I817 VanDerWaalsContact N-CD1 3.32Å; I812-I817 HydrophobicContact CB-CD1 4.26Å; I812-I817 HydrophobicContact CB-CG1 4.33Å; I812-I817 HydrophobicContact CG2-CD1 4.36Å; I812-I817 HydrophobicContact CG2-CG1 3.88Å; D813-I817 PolarHBondContact O-N 3.45Å; Q814-I817 PolarHBondContact O-N 2.81Å; W815-I817 VanDerWaalsContact C-N 3.33Å; W815-I817 PolarHBondContact O-N 2.96Å; I817-L820 PolarHBondContact O-N 3.47Å; I817-K821 WeakPolarHBondContact O-CB 3.12Å; I817-K821 PolarHBondContact O-N 2.67Å |
| 818 | Y | 92.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 25.6 Ų | 25.6 | 12% | 0.122 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 171.6 | -87.4 | -58.7 | 0 | 0 | 0 | 112.3 | L94 E96 T98 V803 Q814 W815 F816 L820 K821 N822 | L94-Y818 HydrophobicContact CD1-CD1 3.46Å; L94-Y818 VanDerWaalsContact CD1-CD1 3.46Å; L94-Y818 HydrophobicContact CD1-CD2 3.63Å; L94-Y818 HydrophobicContact CD1-CE1 3.95Å; L94-Y818 HydrophobicContact CD1-CE2 4.08Å; L94-Y818 HydrophobicContact CD1-CG 3.34Å; E96-Y818 PolarHBondContact OE2-OH 3.41Å; T98-Y818 HydrophobicContact CG2-CD2 4Å; T98-Y818 HydrophobicContact CG2-CE2 4.33Å; V803-Y818 HydrophobicContact CB-CD1 4.29Å; V803-Y818 HydrophobicContact CB-CD2 4.4Å; V803-Y818 HydrophobicContact CB-CE1 3.87Å; V803-Y818 HydrophobicContact CB-CE2 4.02Å; V803-Y818 HydrophobicContact CG1-CD1 4.3Å; V803-Y818 HydrophobicContact CG1-CD2 3.67Å; V803-Y818 HydrophobicContact CG1-CE1 4.19Å; V803-Y818 HydrophobicContact CG1-CE2 3.57Å; V803-Y818 HydrophobicContact CG1-CG 4.01Å; V803-Y818 HydrophobicContact CG2-CD1 3.66Å; V803-Y818 HydrophobicContact CG2-CE1 3.48Å; V803-Y818 VanDerWaalsContact CG2-CE1 3.48Å; V803-Y818 HydrophobicContact CG2-CE2 4.43Å; V803-Y818 HydrophobicContact CG2-CG 4.16Å; Q814-Y818 HydrophobicContact CB-CD2 4.41Å; Q814-Y818 HydrophobicContact CB-CE2 4.42Å; Q814-Y818 WeakPolarHBondContact O-CD2 3.24Å; Q814-Y818 PolarHBondContact O-N 3.24Å; W815-Y818 WeakPolarHBondContact O-CB 3.5Å; W815-Y818 PolarHBondContact O-N 2.89Å; F816-Y818 VanDerWaalsContact C-N 3.32Å; F816-Y818 PolarHBondContact O-N 3.46Å; Y818-L820 VanDerWaalsContact C-N 3.34Å; Y818-L820 PolarHBondContact O-N 2.89Å; Y818-K821 VanDerWaalsContact O-CB 3.31Å; Y818-K821 WeakPolarHBondContact O-CB 3.18Å; Y818-K821 PolarHBondContact O-N 3.27Å; Y818-K821 VanDerWaalsContact O-N 3.16Å; Y818-N822 PolarHBondContact O-N 2.88Å; Y818-N822 VanDerWaalsContact O-N 3.14Å |
| 819 | R | 93.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.9 | -56.9 | -54.4 | -67.6 | -133 | 1 | 112.2 | E90 F746 E747 W815 F816 K821 N822 | E90-R819 VanDerWaalsContact CD-NH2 3.34Å; E90-R819 IonicContact OE1-CZ 2.96Å; E90-R819 IonicContact OE1-NH1 3.26Å; E90-R819 PolarHBondContact OE1-NH1 2.98Å; E90-R819 IonicContact OE1-NH2 2.72Å; E90-R819 PolarHBondContact OE1-NH2 3.28Å; E90-R819 IonicContact OE2-NH2 3.97Å; E90-R819 PolarHBondContact OE2-NH2 2.89Å; E90-R819 VanDerWaalsContact OE2-NH2 3.12Å; F746-R819 HydrophobicContact CD1-CB 3.39Å; F746-R819 HydrophobicContact CD1-CG 3.93Å; F746-R819 HydrophobicContact CE1-CB 3.66Å; F746-R819 HydrophobicContact CE1-CG 4.44Å; F746-R819 HydrophobicContact CG-CB 4.34Å; F746-R819 HydrophobicContact CG-CG 4.44Å; E747-R819 VanDerWaalsContact CD-NE 3.29Å; E747-R819 VanDerWaalsContact CD-NH2 3.34Å; E747-R819 WeakPolarHBondContact CG-O 3.2Å; E747-R819 IonicContact OE1-CZ 3.11Å; E747-R819 IonicContact OE1-NE 2.79Å; E747-R819 PolarHBondContact OE1-NE 3.49Å; E747-R819 IonicContact OE1-NH2 3.69Å; E747-R819 PolarHBondContact OE1-NH2 3.13Å; E747-R819 IonicContact OE2-CZ 2.9Å; E747-R819 IonicContact OE2-NE 3.27Å; E747-R819 PolarHBondContact OE2-NE 2.95Å; E747-R819 IonicContact OE2-NH2 3.86Å; E747-R819 PolarHBondContact OE2-NH2 3.22Å; W815-R819 HydrophobicContact CD2-CG 4.06Å; W815-R819 HydrophobicContact CE3-CG 4.04Å; W815-R819 HydrophobicContact CH2-CG 3.61Å; W815-R819 HydrophobicContact CZ2-CG 3.6Å; W815-R819 HydrophobicContact CZ3-CG 3.82Å; W815-R819 WeakPolarHBondContact O-CG 3.37Å; W815-R819 PolarHBondContact O-N 2.92Å; F816-R819 PolarHBondContact O-N 2.91Å; R819-K821 VanDerWaalsContact C-N 3.28Å; R819-K821 PolarHBondContact O-N 3.19Å; R819-N822 WeakPolarHBondContact O-CB 3.38Å; R819-N822 PolarHBondContact O-N 2.85Å |
| 820 | L | 96.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 173.5 | -70 | 174 | 0 | 0 | 0 | 111.8 | F746 F750 Y764 I793 L797 F816 I817 Y818 N822 I823 V824 | F746-L820 HydrophobicContact CE1-CD2 4.38Å; F750-L820 HydrophobicContact CD1-CD2 3.75Å; F750-L820 HydrophobicContact CD2-CD2 4.32Å; F750-L820 HydrophobicContact CE1-CD2 3.36Å; F750-L820 HydrophobicContact CE2-CD2 4.01Å; F750-L820 HydrophobicContact CG-CD2 4.23Å; F750-L820 HydrophobicContact CZ-CD2 3.52Å; Y764-L820 HydrophobicContact CD1-CD2 4.18Å; Y764-L820 HydrophobicContact CE1-CB 3.85Å; Y764-L820 HydrophobicContact CE1-CD2 3.74Å; Y764-L820 HydrophobicContact CE1-CG 4.28Å; Y764-L820 HydrophobicContact CE2-CD2 4.24Å; I793-L820 HydrophobicContact CG2-CD1 4.41Å; L797-L820 HydrophobicContact CD1-CB 4.1Å; F816-L820 VanDerWaalsContact O-CG 3.3Å; F816-L820 WeakPolarHBondContact O-CG 3.35Å; F816-L820 PolarHBondContact O-N 3.1Å; I817-L820 PolarHBondContact O-N 3.47Å; Y818-L820 VanDerWaalsContact C-N 3.34Å; Y818-L820 PolarHBondContact O-N 2.89Å; L820-N822 VanDerWaalsContact C-N 3.35Å; L820-N822 PolarHBondContact O-N 3.11Å; L820-I823 HydrophobicContact CD2-CD1 4.38Å; L820-I823 WeakPolarHBondContact O-CB 3.45Å; L820-I823 PolarHBondContact O-N 2.66Å; L820-V824 PolarHBondContact O-N 3.31Å |
| 821 | K | 95.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.1 | -167.4 | -173.7 | -172.3 | -47.4 | 0 | 112.1 | L797 V803 I817 Y818 R819 I823 V824 D825 | L797-K821 HydrophobicContact CD1-CB 4.23Å; L797-K821 HydrophobicContact CD2-CB 3.98Å; L797-K821 HydrophobicContact CD2-CD 4.41Å; L797-K821 HydrophobicContact CD2-CG 4.02Å; V803-K821 HydrophobicContact CG2-CD 4.19Å; I817-K821 WeakPolarHBondContact O-CB 3.12Å; I817-K821 PolarHBondContact O-N 2.67Å; Y818-K821 VanDerWaalsContact O-CB 3.31Å; Y818-K821 WeakPolarHBondContact O-CB 3.18Å; Y818-K821 PolarHBondContact O-N 3.27Å; Y818-K821 VanDerWaalsContact O-N 3.16Å; R819-K821 VanDerWaalsContact C-N 3.28Å; R819-K821 PolarHBondContact O-N 3.19Å; K821-I823 PolarHBondContact O-N 3.17Å; K821-V824 PolarHBondContact O-N 3.36Å; K821-D825 IonicContact NZ-OD1 2.71Å; K821-D825 PolarHBondContact NZ-OD1 3.05Å; K821-D825 IonicContact NZ-OD2 2.76Å; K821-D825 PolarHBondContact NZ-OD2 3.39Å; K821-D825 WeakPolarHBondContact O-CB 2.91Å; K821-D825 VanDerWaalsContact O-CG 3.29Å; K821-D825 PolarHBondContact O-N 3.28Å |
| 822 | N | 95.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 34% | 0.337 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.1 | -39.3 | 175.8 | -65.6 | -21.1 | 0 | 0 | 0 | 112 | E747 Y818 R819 L820 F826 | E747-N822 HydrophobicContact CG-CB 4.37Å; E747-N822 PolarHBondContact OE1-ND2 3.21Å; Y818-N822 PolarHBondContact O-N 2.88Å; Y818-N822 VanDerWaalsContact O-N 3.14Å; R819-N822 WeakPolarHBondContact O-CB 3.38Å; R819-N822 PolarHBondContact O-N 2.85Å; L820-N822 VanDerWaalsContact C-N 3.35Å; L820-N822 PolarHBondContact O-N 3.11Å; N822-F826 WeakPolarHBondContact O-CB 3.12Å; N822-F826 PolarHBondContact O-N 3.25Å; N822-F826 VanDerWaalsContact O-N 3.16Å |
| 823 | I | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -48.1 | 176 | -56.4 | 167.4 | 0 | 0 | 0 | 110.3 | E747 F750 Q751 Y764 L820 K821 D825 F826 Y827 F851 | E747-I823 HydrophobicContact CB-CD1 3.96Å; E747-I823 HydrophobicContact CB-CG1 3.78Å; E747-I823 HydrophobicContact CG-CD1 3.94Å; E747-I823 HydrophobicContact CG-CG1 3.56Å; F750-I823 HydrophobicContact CD1-CD1 3.96Å; Q751-I823 HydrophobicContact CG-CD1 3.84Å; Q751-I823 HydrophobicContact CG-CG1 4.42Å; Q751-I823 HydrophobicContact CG-CG2 4.11Å; Y764-I823 HydrophobicContact CD1-CB 4.17Å; Y764-I823 HydrophobicContact CD1-CD1 4.32Å; Y764-I823 HydrophobicContact CD1-CG2 4.08Å; L820-I823 HydrophobicContact CD2-CD1 4.38Å; L820-I823 WeakPolarHBondContact O-CB 3.45Å; L820-I823 PolarHBondContact O-N 2.66Å; K821-I823 PolarHBondContact O-N 3.17Å; I823-D825 PolarHBondContact O-N 3.18Å; I823-F826 PolarHBondContact O-N 3.44Å; I823-Y827 WeakPolarHBondContact O-CB 2.87Å; I823-Y827 PolarHBondContact O-N 3.03Å; I823-F851 HydrophobicContact CG2-CE2 4.14Å; I823-F851 HydrophobicContact CG2-CZ 3.89Å; I823-F851 WeakPolarHBondContact O-CZ 3.46Å |
| 824 | V | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | -178.3 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | Y764 P766 A794 L797 R798 L820 K821 Y827 T828 | Y764-V824 HydrophobicContact CD1-CG2 4.09Å; Y764-V824 HydrophobicContact CE1-CG2 3.79Å; P766-V824 HydrophobicContact CB-CG1 4.09Å; P766-V824 HydrophobicContact CB-CG2 4.25Å; P766-V824 HydrophobicContact CG-CG1 4.18Å; A794-V824 HydrophobicContact CB-CG2 4.33Å; L797-V824 HydrophobicContact CB-CB 4.28Å; L797-V824 HydrophobicContact CB-CG1 4.04Å; L797-V824 HydrophobicContact CB-CG2 4.16Å; L797-V824 HydrophobicContact CD1-CG2 4.15Å; R798-V824 HydrophobicContact CB-CG1 4.22Å; L820-V824 PolarHBondContact O-N 3.31Å; K821-V824 PolarHBondContact O-N 3.36Å; V824-Y827 WeakPolarHBondContact O-CB 3.41Å; V824-Y827 PolarHBondContact O-N 3.4Å; V824-T828 PolarHBondContact O-N 3.24Å; V824-T828 PolarHBondContact O-OG1 3.42Å |
| 825 | D | 95.7 | Very high | 93.6 | Very high | 71 Ų | 71 | 36.5 Ų | 36.5 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.3 | -45 | 177.7 | -70.5 | -8.3 | 0 | 0 | 0 | 110.5 | K821 I823 T828 K829 | K821-D825 IonicContact NZ-OD1 2.71Å; K821-D825 PolarHBondContact NZ-OD1 3.05Å; K821-D825 IonicContact NZ-OD2 2.76Å; K821-D825 PolarHBondContact NZ-OD2 3.39Å; K821-D825 WeakPolarHBondContact O-CB 2.91Å; K821-D825 VanDerWaalsContact O-CG 3.29Å; K821-D825 PolarHBondContact O-N 3.28Å; I823-D825 PolarHBondContact O-N 3.18Å; D825-T828 PolarHBondContact O-N 2.9Å; D825-K829 PolarHBondContact O-N 3.32Å |
| 826 | F | 96.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.7 | -34.5 | 177.8 | -160.4 | -91 | 0 | 0 | 0 | 112.5 | N822 I823 T828 K829 L830 R845 A846 L849 F851 | N822-F826 WeakPolarHBondContact O-CB 3.12Å; N822-F826 PolarHBondContact O-N 3.25Å; N822-F826 VanDerWaalsContact O-N 3.16Å; I823-F826 PolarHBondContact O-N 3.44Å; F826-T828 VanDerWaalsContact C-N 3.29Å; F826-T828 PolarHBondContact O-N 3.49Å; F826-K829 HydrophobicContact CD2-CD 4.3Å; F826-K829 HydrophobicContact CE2-CD 4.17Å; F826-K829 PolarHBondContact O-N 2.86Å; F826-L830 HydrophobicContact CD1-CD1 3.82Å; F826-L830 HydrophobicContact CD1-CG 3.86Å; F826-L830 HydrophobicContact CE1-CD1 3.79Å; F826-L830 HydrophobicContact CE1-CD2 3.87Å; F826-L830 HydrophobicContact CE1-CG 3.65Å; F826-L830 WeakPolarHBondContact O-CG 3.39Å; F826-L830 PolarHBondContact O-N 3.28Å; F826-R845 HydrophobicContact CD2-CG 4.05Å; F826-R845 HydrophobicContact CE2-CB 3.98Å; F826-R845 HydrophobicContact CE2-CG 3.44Å; F826-R845 VanDerWaalsContact CE2-CG 3.44Å; F826-R845 HydrophobicContact CZ-CB 3.95Å; F826-R845 HydrophobicContact CZ-CG 3.87Å; F826-A846 HydrophobicContact CD1-CB 4.49Å; F826-A846 HydrophobicContact CE1-CB 3.58Å; F826-A846 HydrophobicContact CZ-CB 4.23Å; F826-L849 HydrophobicContact CB-CD1 3.63Å; F826-L849 HydrophobicContact CD1-CD1 3.96Å; F826-L849 HydrophobicContact CD2-CD1 3.88Å; F826-L849 HydrophobicContact CG-CD1 3.53Å; F826-F851 HydrophobicContact CB-CE2 4.25Å; F826-F851 HydrophobicContact CB-CZ 4.37Å; F826-F851 HydrophobicContact CD1-CD2 4.26Å; F826-F851 AromaticContact CD1-CE2 3.77Å; F826-F851 HydrophobicContact CD1-CE2 3.77Å; F826-F851 HydrophobicContact CD1-CZ 4.13Å; F826-F851 HydrophobicContact CG-CE2 4.43Å |
| 827 | Y | 96.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.3 | -49.2 | 170.9 | -174.4 | -63.7 | 0 | 0 | 0 | 110 | D765 P766 F767 I823 V824 K829 L830 K831 F851 M855 | D765-Y827 HydrophobicContact CB-CE2 4.01Å; D765-Y827 VanDerWaalsContact CG-OH 3.22Å; D765-Y827 WeakPolarHBondContact OD1-CE2 3.5Å; D765-Y827 VanDerWaalsContact OD1-CZ 3.28Å; D765-Y827 PolarHBondContact OD1-OH 3.08Å; D765-Y827 PolarHBondContact OD2-OH 2.9Å; D765-Y827 VanDerWaalsContact OD2-OH 3.05Å; P766-Y827 HydrophobicContact CG-CD1 3.93Å; P766-Y827 HydrophobicContact CG-CD2 4.17Å; P766-Y827 HydrophobicContact CG-CE1 4.32Å; P766-Y827 HydrophobicContact CG-CG 3.91Å; F767-Y827 HydrophobicContact CD2-CD1 4.09Å; F767-Y827 AromaticContact CD2-CE1 3.39Å; F767-Y827 HydrophobicContact CD2-CE1 3.39Å; F767-Y827 AromaticContact CD2-CZ 3.85Å; F767-Y827 AromaticContact CE2-CD1 3.79Å; F767-Y827 HydrophobicContact CE2-CD1 3.79Å; F767-Y827 AromaticContact CE2-CE1 3.42Å; F767-Y827 HydrophobicContact CE2-CE1 3.42Å; F767-Y827 VanDerWaalsContact CE2-CE1 3.42Å; I823-Y827 WeakPolarHBondContact O-CB 2.87Å; I823-Y827 PolarHBondContact O-N 3.03Å; V824-Y827 WeakPolarHBondContact O-CB 3.41Å; V824-Y827 PolarHBondContact O-N 3.4Å; Y827-K829 VanDerWaalsContact C-N 3.35Å; Y827-K829 PolarHBondContact O-N 3.31Å; Y827-L830 WeakPolarHBondContact O-CB 3.1Å; Y827-L830 PolarHBondContact O-N 3.21Å; Y827-L830 VanDerWaalsContact O-N 3.13Å; Y827-K831 HydrophobicContact CD1-CD 4.5Å; Y827-K831 HydrophobicContact CD1-CG 4.45Å; Y827-K831 HydrophobicContact CE1-CD 3.83Å; Y827-K831 HydrophobicContact CE1-CG 3.98Å; Y827-K831 PolarHBondContact O-N 3.11Å; Y827-K831 VanDerWaalsContact O-N 3.14Å; Y827-F851 HydrophobicContact CD2-CE1 4.05Å; Y827-F851 HydrophobicContact CG-CE1 4.39Å; Y827-M855 HydrophobicContact CD2-CE 3.26Å; Y827-M855 HydrophobicContact CE2-CE 3.32Å |
| 828 | T | 93.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | -178.4 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | V824 D825 F826 L830 K831 D832 | V824-T828 PolarHBondContact O-N 3.24Å; V824-T828 PolarHBondContact O-OG1 3.42Å; D825-T828 PolarHBondContact O-N 2.9Å; F826-T828 VanDerWaalsContact C-N 3.29Å; F826-T828 PolarHBondContact O-N 3.49Å; T828-L830 VanDerWaalsContact C-N 3.32Å; T828-L830 PolarHBondContact O-N 3.35Å; T828-K831 PolarHBondContact O-N 3.04Å; T828-K831 VanDerWaalsContact O-N 3.15Å; T828-D832 PolarHBondContact O-N 3.28Å |
| 829 | K | 93.9 | Very high | 92.7 | Very high | 96 Ų | 96 | 47.1 Ų | 47.1 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57 | -41.3 | 172.3 | -178.2 | -175.9 | 171.5 | -169 | 0 | 112.7 | D825 F826 Y827 K831 D832 L833 N842 | D825-K829 PolarHBondContact O-N 3.32Å; F826-K829 HydrophobicContact CD2-CD 4.3Å; F826-K829 HydrophobicContact CE2-CD 4.17Å; F826-K829 PolarHBondContact O-N 2.86Å; Y827-K829 VanDerWaalsContact C-N 3.35Å; Y827-K829 PolarHBondContact O-N 3.31Å; K829-K831 VanDerWaalsContact C-N 3.32Å; K829-K831 PolarHBondContact O-N 3.32Å; K829-D832 PolarHBondContact O-N 3.35Å; K829-L833 WeakPolarHBondContact O-CG 3.25Å; K829-N842 PolarHBondContact NZ-OD1 2.78Å |
| 830 | L | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -33.5 | 178.6 | -78.1 | 174.1 | 0 | 0 | 0 | 112.8 | F826 Y827 T828 D832 L833 L838 A846 F851 I856 C859 | F826-L830 HydrophobicContact CD1-CD1 3.82Å; F826-L830 HydrophobicContact CD1-CG 3.86Å; F826-L830 HydrophobicContact CE1-CD1 3.79Å; F826-L830 HydrophobicContact CE1-CD2 3.87Å; F826-L830 HydrophobicContact CE1-CG 3.65Å; F826-L830 WeakPolarHBondContact O-CG 3.39Å; F826-L830 PolarHBondContact O-N 3.28Å; Y827-L830 WeakPolarHBondContact O-CB 3.1Å; Y827-L830 PolarHBondContact O-N 3.21Å; Y827-L830 VanDerWaalsContact O-N 3.13Å; T828-L830 VanDerWaalsContact C-N 3.32Å; T828-L830 PolarHBondContact O-N 3.35Å; L830-D832 VanDerWaalsContact C-N 3.27Å; L830-D832 PolarHBondContact O-N 2.96Å; L830-L833 PolarHBondContact O-N 3.43Å; L830-L838 HydrophobicContact CD2-CD2 3.86Å; L830-A846 HydrophobicContact CD1-CB 4.4Å; L830-F851 HydrophobicContact CD1-CD1 3.63Å; L830-F851 HydrophobicContact CD1-CE1 3.73Å; L830-F851 HydrophobicContact CD1-CG 4.08Å; L830-F851 HydrophobicContact CD1-CZ 4.24Å; L830-I856 HydrophobicContact CD1-CG1 4.38Å; L830-C859 HydrophobicContact CB-CB 3.92Å |
| 831 | K | 91.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 37% | 0.365 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.5 | -25.8 | 176.1 | -92 | -165.7 | 166.9 | 172.4 | 0 | 113.7 | F767 Y827 T828 K829 L833 C859 | F767-K831 HydrophobicContact CD2-CD 4.43Å; F767-K831 HydrophobicContact CE2-CD 3.83Å; F767-K831 VanDerWaalsContact CG-NZ 3.33Å; F767-K831 HydrophobicContact CZ-CD 4.01Å; Y827-K831 HydrophobicContact CD1-CD 4.5Å; Y827-K831 HydrophobicContact CD1-CG 4.45Å; Y827-K831 HydrophobicContact CE1-CD 3.83Å; Y827-K831 HydrophobicContact CE1-CG 3.98Å; Y827-K831 PolarHBondContact O-N 3.11Å; Y827-K831 VanDerWaalsContact O-N 3.14Å; T828-K831 PolarHBondContact O-N 3.04Å; T828-K831 VanDerWaalsContact O-N 3.15Å; K829-K831 VanDerWaalsContact C-N 3.32Å; K829-K831 PolarHBondContact O-N 3.32Å; K831-L833 PolarHBondContact O-N 3.17Å; K831-C859 HydrophobicContact CG-CB 4.08Å |
| 832 | D | 91 | Very high | 92.5 | Very high | 136 Ų | 136 | 55.8 Ų | 55.8 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -5.3 | 175.1 | -64.1 | -30.2 | 0 | 0 | 0 | 112.7 | T828 K829 L830 | T828-D832 PolarHBondContact O-N 3.28Å; K829-D832 PolarHBondContact O-N 3.35Å; L830-D832 VanDerWaalsContact C-N 3.27Å; L830-D832 PolarHBondContact O-N 2.96Å |
| 833 | L | 91.5 | Very high | 92.5 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | trans | -105.5 | 144.9 | 179.6 | -62.1 | 173.2 | 0 | 0 | 0 | 111.1 | K829 L830 K831 L838 S860 | K829-L833 WeakPolarHBondContact O-CG 3.25Å; L830-L833 PolarHBondContact O-N 3.43Å; K831-L833 PolarHBondContact O-N 3.17Å; L833-L838 HydrophobicContact CB-CD2 4.32Å; L833-L838 HydrophobicContact CD1-CD2 4.05Å; L833-S860 WeakPolarHBondContact O-CA 3.36Å | ||
| 834 | T | 89.2 | Confident | 92.5 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | trans | -95.1 | 161.9 | 166.7 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | N836 S837 L838 | T834-N836 PolarHBondContact O-N 3.02Å; T834-N836 VanDerWaalsContact O-N 3.08Å; T834-S837 PolarHBondContact N-OG 2.86Å; T834-S837 PolarHBondContact O-N 3.18Å; T834-S837 PolarHBondContact O-OG 3.11Å; T834-S837 PolarHBondContact OG1-N 3.09Å; T834-S837 PolarHBondContact OG1-OG 2.78Å; T834-L838 PolarHBondContact O-N 3.48Å | ||
| 835 | V | 83.6 | Confident | 92.4 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -55.1 | -31 | 178.5 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | L838 S862 V867 I870 | V835-L838 HydrophobicContact CG2-CD1 4.47Å; V835-S862 VanDerWaalsContact CG2-OG 3.28Å; V835-S862 WeakPolarHBondContact CG2-OG 3.33Å; V835-V867 HydrophobicContact CG2-CG2 4.44Å; V835-I870 HydrophobicContact CG2-CD1 3.4Å |
| 836 | N | 83.3 | Confident | 92.5 | Very high | 149 Ų | 149 | 57 Ų | 57 | 80% | 0.797 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -82.3 | -16.8 | 179.3 | -65.4 | -31 | 0 | 0 | 0 | 113.6 | T834 | T834-N836 PolarHBondContact O-N 3.02Å; T834-N836 VanDerWaalsContact O-N 3.08Å |
| 837 | S | 88.5 | Confident | 92.6 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -97.7 | 3.6 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | T834 S839 | T834-S837 PolarHBondContact N-OG 2.86Å; T834-S837 PolarHBondContact O-N 3.18Å; T834-S837 PolarHBondContact O-OG 3.11Å; T834-S837 PolarHBondContact OG1-N 3.09Å; T834-S837 PolarHBondContact OG1-OG 2.78Å; S837-S839 PolarHBondContact O-N 3.39Å |
| 838 | L | 89.6 | Confident | 92.6 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | trans | -72.9 | 103.5 | 173.5 | -72.3 | 170.9 | 0 | 0 | 0 | 109.8 | L830 L833 T834 V835 N842 L843 I856 | L830-L838 HydrophobicContact CD2-CD2 3.86Å; L833-L838 HydrophobicContact CB-CD2 4.32Å; L833-L838 HydrophobicContact CD1-CD2 4.05Å; T834-L838 PolarHBondContact O-N 3.48Å; V835-L838 HydrophobicContact CG2-CD1 4.47Å; L838-N842 HydrophobicContact CD2-CB 4.44Å; L838-L843 HydrophobicContact CB-CD1 4.45Å; L838-L843 HydrophobicContact CB-CD2 4.46Å; L838-L843 HydrophobicContact CB-CG 4.22Å; L838-L843 HydrophobicContact CD1-CD2 4.15Å; L838-I856 HydrophobicContact CD1-CG2 3.75Å | ||
| 839 | S | 93.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | trans | -69.8 | 164.3 | 170.6 | 84.1 | 0 | 0 | 0 | 0 | 111.6 | S837 E841 N842 L843 | S837-S839 PolarHBondContact O-N 3.39Å; S839-E841 VanDerWaalsContact C-N 3.26Å; S839-E841 WeakPolarHBondContact CB-OE2 3.35Å; S839-E841 PolarHBondContact O-N 3.23Å; S839-E841 PolarHBondContact OG-N 3.04Å; S839-E841 PolarHBondContact OG-OE2 3.38Å; S839-N842 PolarHBondContact O-N 3.46Å; S839-N842 PolarHBondContact OG-N 3Å; S839-N842 VanDerWaalsContact OG-N 3.15Å; S839-L843 PolarHBondContact O-N 3.33Å | ||
| 840 | K | 94.7 | Very high | 93 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 174.2 | -178.7 | 171.1 | 177.6 | 159.3 | 0 | 111.3 | L843 I844 L874 V876 | K840-L843 PolarHBondContact O-N 3.3Å; K840-I844 HydrophobicContact CD-CD1 4.47Å; K840-I844 HydrophobicContact CG-CD1 3.83Å; K840-I844 HydrophobicContact CG-CG1 4.43Å; K840-I844 WeakPolarHBondContact O-CG1 3.46Å; K840-I844 PolarHBondContact O-N 2.76Å; K840-L874 HydrophobicContact CB-CD1 4.25Å; K840-L874 HydrophobicContact CD-CB 4.49Å; K840-L874 VanDerWaalsContact CE-O 3.28Å; K840-L874 WeakPolarHBondContact CE-O 3.16Å; K840-L874 HydrophobicContact CG-CB 4.4Å; K840-L874 PolarHBondContact NZ-O 3.25Å; K840-V876 HydrophobicContact CG-CG2 3.93Å |
| 841 | E | 93.3 | Very high | 93.2 | Very high | 131 Ų | 131 | 51.2 Ų | 51.2 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 178.7 | -55.4 | 73.8 | -157.2 | 0 | 0 | 111.6 | S839 L843 R845 | S839-E841 VanDerWaalsContact C-N 3.26Å; S839-E841 WeakPolarHBondContact CB-OE2 3.35Å; S839-E841 PolarHBondContact O-N 3.23Å; S839-E841 PolarHBondContact OG-N 3.04Å; S839-E841 PolarHBondContact OG-OE2 3.38Å; E841-L843 VanDerWaalsContact C-N 3.34Å; E841-L843 PolarHBondContact O-N 3.04Å; E841-R845 VanDerWaalsContact O-CB 3.3Å; E841-R845 WeakPolarHBondContact O-CB 3.45Å; E841-R845 PolarHBondContact O-N 3.33Å |
| 842 | N | 94.8 | Very high | 93.5 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.5 | -76.1 | -28.9 | 0 | 0 | 0 | 111.2 | K829 L838 S839 A846 | K829-N842 PolarHBondContact NZ-OD1 2.78Å; L838-N842 HydrophobicContact CD2-CB 4.44Å; S839-N842 PolarHBondContact O-N 3.46Å; S839-N842 PolarHBondContact OG-N 3Å; S839-N842 VanDerWaalsContact OG-N 3.15Å; N842-A846 WeakPolarHBondContact O-CB 3.43Å; N842-A846 PolarHBondContact O-N 3.18Å |
| 843 | L | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -49.9 | 177.8 | -76.1 | 168.2 | 0 | 0 | 0 | 111.9 | L838 S839 K840 E841 R845 A846 K847 I856 V867 I870 R871 L874 V876 | L838-L843 HydrophobicContact CB-CD1 4.45Å; L838-L843 HydrophobicContact CB-CD2 4.46Å; L838-L843 HydrophobicContact CB-CG 4.22Å; L838-L843 HydrophobicContact CD1-CD2 4.15Å; S839-L843 PolarHBondContact O-N 3.33Å; K840-L843 PolarHBondContact O-N 3.3Å; E841-L843 VanDerWaalsContact C-N 3.34Å; E841-L843 PolarHBondContact O-N 3.04Å; L843-R845 VanDerWaalsContact C-N 3.29Å; L843-R845 PolarHBondContact O-N 3.03Å; L843-A846 WeakPolarHBondContact O-CB 3.25Å; L843-A846 PolarHBondContact O-N 3.02Å; L843-A846 VanDerWaalsContact O-N 3.17Å; L843-K847 VanDerWaalsContact O-CG 3.31Å; L843-K847 WeakPolarHBondContact O-CG 3.46Å; L843-K847 PolarHBondContact O-N 3.26Å; L843-I856 HydrophobicContact CD2-CD1 4.38Å; L843-I856 HydrophobicContact CD2-CG2 4.46Å; L843-V867 HydrophobicContact CD2-CG1 4.42Å; L843-I870 HydrophobicContact CD1-CG2 3.76Å; L843-R871 HydrophobicContact CD1-CG 4.34Å; L843-R871 HydrophobicContact CD2-CG 4.25Å; L843-L874 HydrophobicContact CD1-CD1 3.77Å; L843-V876 HydrophobicContact CB-CG1 4.45Å; L843-V876 HydrophobicContact CB-CG2 4.46Å |
| 844 | I | 95.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 43 Ų | 43 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 176.8 | -70.5 | 169.7 | 0 | 0 | 0 | 109.8 | K840 A846 K847 Q848 V876 | K840-I844 HydrophobicContact CD-CD1 4.47Å; K840-I844 HydrophobicContact CG-CD1 3.83Å; K840-I844 HydrophobicContact CG-CG1 4.43Å; K840-I844 WeakPolarHBondContact O-CG1 3.46Å; K840-I844 PolarHBondContact O-N 2.76Å; I844-A846 PolarHBondContact O-N 3.12Å; I844-K847 PolarHBondContact O-N 3.44Å; I844-Q848 HydrophobicContact CG2-CG 4.17Å; I844-Q848 WeakPolarHBondContact O-CB 3.31Å; I844-Q848 VanDerWaalsContact O-CG 3.26Å; I844-Q848 WeakPolarHBondContact O-CG 3.43Å; I844-Q848 PolarHBondContact O-N 3.29Å; I844-V876 HydrophobicContact CD1-CG2 4.42Å; I844-V876 HydrophobicContact CG1-CG1 3.9Å; I844-V876 HydrophobicContact CG1-CG2 3.89Å |
| 845 | R | 95.6 | Very high | 94.2 | Very high | 103 Ų | 103 | 39.3 Ų | 39.3 | 39% | 0.389 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 179.7 | -174.9 | 56.9 | 175.7 | 158.2 | -0.2 | 112.7 | F826 E841 L843 Q848 L849 | F826-R845 HydrophobicContact CD2-CG 4.05Å; F826-R845 HydrophobicContact CE2-CB 3.98Å; F826-R845 HydrophobicContact CE2-CG 3.44Å; F826-R845 VanDerWaalsContact CE2-CG 3.44Å; F826-R845 HydrophobicContact CZ-CB 3.95Å; F826-R845 HydrophobicContact CZ-CG 3.87Å; E841-R845 VanDerWaalsContact O-CB 3.3Å; E841-R845 WeakPolarHBondContact O-CB 3.45Å; E841-R845 PolarHBondContact O-N 3.33Å; L843-R845 VanDerWaalsContact C-N 3.29Å; L843-R845 PolarHBondContact O-N 3.03Å; R845-Q848 PolarHBondContact O-N 2.97Å; R845-L849 HydrophobicContact CG-CD1 4.19Å; R845-L849 WeakPolarHBondContact O-CG 3.34Å; R845-L849 PolarHBondContact O-N 3.15Å; R845-L849 VanDerWaalsContact O-N 3.1Å |
| 846 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F826 L830 N842 L843 I844 L849 G850 F851 I856 | F826-A846 HydrophobicContact CD1-CB 4.49Å; F826-A846 HydrophobicContact CE1-CB 3.58Å; F826-A846 HydrophobicContact CZ-CB 4.23Å; L830-A846 HydrophobicContact CD1-CB 4.4Å; N842-A846 WeakPolarHBondContact O-CB 3.43Å; N842-A846 PolarHBondContact O-N 3.18Å; L843-A846 WeakPolarHBondContact O-CB 3.25Å; L843-A846 PolarHBondContact O-N 3.02Å; L843-A846 VanDerWaalsContact O-N 3.17Å; I844-A846 PolarHBondContact O-N 3.12Å; A846-L849 CarbonylContact O-C 3.23Å; A846-L849 PolarHBondContact O-N 3.15Å; A846-G850 PolarHBondContact O-N 3.29Å; A846-F851 HydrophobicContact CB-CB 4.21Å; A846-F851 WeakPolarHBondContact O-CB 3.17Å; A846-F851 VanDerWaalsContact O-CD2 3.28Å; A846-F851 WeakPolarHBondContact O-CD2 3.47Å; A846-F851 PolarHBondContact O-N 2.79Å; A846-I856 HydrophobicContact CB-CD1 3.8Å; A846-I856 HydrophobicContact CB-CG1 4.27Å |
| 847 | K | 98.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.3 | -38.4 | -178.8 | -58.6 | -52 | -67 | -175.9 | 0 | 112.3 | L843 I844 L849 G850 F851 D853 I856 V876 Y901 E977 | L843-K847 VanDerWaalsContact O-CG 3.31Å; L843-K847 WeakPolarHBondContact O-CG 3.46Å; L843-K847 PolarHBondContact O-N 3.26Å; I844-K847 PolarHBondContact O-N 3.44Å; K847-L849 PolarHBondContact O-N 3.18Å; K847-G850 WeakPolarHBondContact O-CA 3.09Å; K847-G850 PolarHBondContact O-N 3.42Å; K847-F851 WeakPolarHBondContact CD-O 3.43Å; K847-F851 WeakPolarHBondContact CE-O 3.4Å; K847-F851 PolarHBondContact NZ-O 3.18Å; K847-D853 IonicContact NZ-OD1 3.7Å; K847-D853 PolarHBondContact NZ-OD1 2.91Å; K847-I856 HydrophobicContact CD-CD1 3.88Å; K847-V876 HydrophobicContact CG-CG1 4.41Å; K847-Y901 HydrophobicContact CB-CD1 3.5Å; K847-Y901 HydrophobicContact CB-CD2 3.54Å; K847-Y901 HydrophobicContact CB-CE1 3.81Å; K847-Y901 HydrophobicContact CB-CE2 3.85Å; K847-Y901 HydrophobicContact CB-CG 3.34Å; K847-Y901 HydrophobicContact CD-CE2 4.45Å; K847-Y901 VanDerWaalsContact CE-CE2 3.46Å; K847-Y901 VanDerWaalsContact CE-CZ 3.45Å; K847-Y901 WeakPolarHBondContact CE-OH 3.3Å; K847-Y901 HydrophobicContact CG-CD1 3.94Å; K847-Y901 HydrophobicContact CG-CD2 4.36Å; K847-Y901 HydrophobicContact CG-CE1 3.75Å; K847-Y901 HydrophobicContact CG-CE2 4.2Å; K847-Y901 HydrophobicContact CG-CG 4.23Å; K847-E977 IonicContact NZ-OE1 2.89Å; K847-E977 PolarHBondContact NZ-OE1 3.17Å; K847-E977 IonicContact NZ-OE2 2.82Å |
| 848 | Q | 96.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -22.6 | 174 | -74.6 | 178.3 | -24.8 | 0 | 0 | 113.9 | S745 I844 R845 G850 Y901 N902 | S745-Q848 PolarHBondContact OG-O 2.84Å; I844-Q848 HydrophobicContact CG2-CG 4.17Å; I844-Q848 WeakPolarHBondContact O-CB 3.31Å; I844-Q848 VanDerWaalsContact O-CG 3.26Å; I844-Q848 WeakPolarHBondContact O-CG 3.43Å; I844-Q848 PolarHBondContact O-N 3.29Å; R845-Q848 PolarHBondContact O-N 2.97Å; Q848-G850 VanDerWaalsContact C-N 3.35Å; Q848-Y901 WeakPolarHBondContact CG-O 3.35Å; Q848-Y901 PolarHBondContact NE2-O 2.97Å; Q848-N902 WeakPolarHBondContact CB-OD1 3.43Å; Q848-N902 VanDerWaalsContact CG-OD1 3.24Å; Q848-N902 WeakPolarHBondContact CG-OD1 3.35Å; Q848-N902 PolarHBondContact O-ND2 2.98Å; Q848-N902 VanDerWaalsContact O-ND2 3.09Å |
| 849 | L | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.9 | 171.2 | -69.2 | 172.5 | 0 | 0 | 0 | 112.7 | E747 Q751 F826 R845 A846 K847 F851 | E747-L849 HydrophobicContact CB-CD2 3.85Å; E747-L849 HydrophobicContact CG-CD2 3.92Å; Q751-L849 PolarHBondContact NE2-O 2.87Å; F826-L849 HydrophobicContact CB-CD1 3.63Å; F826-L849 HydrophobicContact CD1-CD1 3.96Å; F826-L849 HydrophobicContact CD2-CD1 3.88Å; F826-L849 HydrophobicContact CG-CD1 3.53Å; R845-L849 HydrophobicContact CG-CD1 4.19Å; R845-L849 WeakPolarHBondContact O-CG 3.34Å; R845-L849 PolarHBondContact O-N 3.15Å; R845-L849 VanDerWaalsContact O-N 3.1Å; A846-L849 CarbonylContact O-C 3.23Å; A846-L849 PolarHBondContact O-N 3.15Å; K847-L849 PolarHBondContact O-N 3.18Å; L849-F851 HydrophobicContact CB-CD2 3.82Å; L849-F851 HydrophobicContact CB-CE2 3.86Å; L849-F851 HydrophobicContact CD1-CE2 4.33Å |
| 850 | G | 97.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 12 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q751 R755 A846 K847 Q848 S852 | Q751-G850 WeakPolarHBondContact CB-O 3.39Å; R755-G850 PolarHBondContact NH2-O 2.8Å; A846-G850 PolarHBondContact O-N 3.29Å; K847-G850 WeakPolarHBondContact O-CA 3.09Å; K847-G850 PolarHBondContact O-N 3.42Å; Q848-G850 VanDerWaalsContact C-N 3.35Å; G850-S852 PolarHBondContact O-N 3.45Å |
| 851 | F | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -67.5 | 129.2 | 177.3 | -73.5 | -100.9 | 0 | 0 | 0 | 111.4 | Q751 I823 F826 Y827 L830 A846 K847 L849 M855 I856 | Q751-F851 VanDerWaalsContact NE2-CE2 3.34Å; I823-F851 HydrophobicContact CG2-CE2 4.14Å; I823-F851 HydrophobicContact CG2-CZ 3.89Å; I823-F851 WeakPolarHBondContact O-CZ 3.46Å; F826-F851 HydrophobicContact CB-CE2 4.25Å; F826-F851 HydrophobicContact CB-CZ 4.37Å; F826-F851 HydrophobicContact CD1-CD2 4.26Å; F826-F851 AromaticContact CD1-CE2 3.77Å; F826-F851 HydrophobicContact CD1-CE2 3.77Å; F826-F851 HydrophobicContact CD1-CZ 4.13Å; F826-F851 HydrophobicContact CG-CE2 4.43Å; Y827-F851 HydrophobicContact CD2-CE1 4.05Å; Y827-F851 HydrophobicContact CG-CE1 4.39Å; L830-F851 HydrophobicContact CD1-CD1 3.63Å; L830-F851 HydrophobicContact CD1-CE1 3.73Å; L830-F851 HydrophobicContact CD1-CG 4.08Å; L830-F851 HydrophobicContact CD1-CZ 4.24Å; A846-F851 HydrophobicContact CB-CB 4.21Å; A846-F851 WeakPolarHBondContact O-CB 3.17Å; A846-F851 VanDerWaalsContact O-CD2 3.28Å; A846-F851 WeakPolarHBondContact O-CD2 3.47Å; A846-F851 PolarHBondContact O-N 2.79Å; K847-F851 WeakPolarHBondContact CD-O 3.43Å; K847-F851 WeakPolarHBondContact CE-O 3.4Å; K847-F851 PolarHBondContact NZ-O 3.18Å; L849-F851 HydrophobicContact CB-CD2 3.82Å; L849-F851 HydrophobicContact CB-CE2 3.86Å; L849-F851 HydrophobicContact CD1-CE2 4.33Å; F851-M855 HydrophobicContact CD1-CE 3.94Å; F851-M855 HydrophobicContact CD1-CG 3.91Å; F851-M855 HydrophobicContact CD1-SD 3.47Å; F851-M855 WeakPolarHBondContact CD1-SD 3.49Å; F851-M855 HydrophobicContact CE1-CE 3.7Å; F851-M855 HydrophobicContact CE1-CG 4.45Å; F851-M855 HydrophobicContact CE1-SD 3.9Å; F851-M855 HydrophobicContact CG-SD 4.31Å; F851-I856 HydrophobicContact CB-CD1 4.23Å; F851-I856 HydrophobicContact CB-CG1 3.95Å | ||
| 852 | S | 97.1 | Very high | 95 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | trans | -74.4 | 156.9 | 172.9 | 68 | 0 | 0 | 0 | 0 | 111.9 | L762 G850 R854 M855 I856 E977 | L762-S852 PolarHBondContact O-OG 3.5Å; G850-S852 PolarHBondContact O-N 3.45Å; S852-R854 PolarHBondContact O-N 3.16Å; S852-M855 PolarHBondContact O-N 3.21Å; S852-M855 VanDerWaalsContact O-N 3.08Å; S852-M855 VanDerWaalsContact OG-CB 3.27Å; S852-M855 WeakPolarHBondContact OG-CB 3.46Å; S852-M855 PolarHBondContact OG-N 2.84Å; S852-I856 WeakPolarHBondContact O-CG1 3.48Å; S852-I856 PolarHBondContact O-N 2.86Å; S852-E977 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 853 | D | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 173.2 | -72 | 0.7 | 0 | 0 | 0 | 110.5 | K847 A857 E864 V867 R871 E977 | K847-D853 IonicContact NZ-OD1 3.7Å; K847-D853 PolarHBondContact NZ-OD1 2.91Å; D853-A857 WeakPolarHBondContact O-CB 3.42Å; D853-A857 PolarHBondContact O-N 3.39Å; D853-E864 HydrophobicContact CB-CG 3.95Å; D853-V867 HydrophobicContact CB-CB 4.3Å; D853-V867 HydrophobicContact CB-CG1 4.05Å; D853-R871 VanDerWaalsContact CG-NE 3.34Å; D853-R871 WeakPolarHBondContact OD1-CD 3.47Å; D853-R871 IonicContact OD1-CZ 2.91Å; D853-R871 IonicContact OD1-NE 3.73Å; D853-R871 PolarHBondContact OD1-NE 3.49Å; D853-R871 IonicContact OD1-NH2 2.62Å; D853-R871 IonicContact OD2-CZ 3.85Å; D853-R871 IonicContact OD2-NE 3.94Å; D853-R871 PolarHBondContact OD2-NE 3.19Å; D853-R871 IonicContact OD2-NH2 2.87Å; D853-R871 PolarHBondContact OD2-NH2 3.15Å; D853-E977 HydrophobicContact CB-CG 4.26Å; D853-E977 WeakPolarHBondContact CB-OE2 3.35Å; D853-E977 PolarHBondContact N-OE2 3.35Å |
| 854 | R | 95.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 28.9 Ų | 28.9 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 172 | -70.5 | -172.9 | 173 | 173.3 | 1 | 112.8 | L762 S852 A857 A858 E864 | L762-R854 HydrophobicContact CD2-CB 4.09Å; S852-R854 PolarHBondContact O-N 3.16Å; R854-A857 PolarHBondContact O-N 3.48Å; R854-A858 WeakPolarHBondContact O-CB 3.42Å; R854-A858 PolarHBondContact O-N 3.17Å; R854-E864 HydrophobicContact CG-CB 3.99Å; R854-E864 HydrophobicContact CG-CG 3.75Å; R854-E864 WeakPolarHBondContact CG-OE2 3.44Å; R854-E864 IonicContact CZ-OE2 2.74Å; R854-E864 IonicContact NE-OE1 3.34Å; R854-E864 PolarHBondContact NE-OE1 3.13Å; R854-E864 IonicContact NE-OE2 3.36Å; R854-E864 PolarHBondContact NE-OE2 2.76Å; R854-E864 IonicContact NH2-OE2 3.37Å; R854-E864 PolarHBondContact NH2-OE2 2.73Å |
| 855 | M | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.6 | -42.5 | -178.8 | -167.9 | 176.9 | -173.4 | 0 | 0 | 111.3 | Q751 L762 Y827 F851 S852 A857 A858 C859 | Q751-M855 PolarHBondContact OE1-SD 3.3Å; L762-M855 HydrophobicContact CB-CB 4.3Å; L762-M855 HydrophobicContact CB-CG 4.44Å; Y827-M855 HydrophobicContact CD2-CE 3.26Å; Y827-M855 HydrophobicContact CE2-CE 3.32Å; F851-M855 HydrophobicContact CD1-CE 3.94Å; F851-M855 HydrophobicContact CD1-CG 3.91Å; F851-M855 HydrophobicContact CD1-SD 3.47Å; F851-M855 WeakPolarHBondContact CD1-SD 3.49Å; F851-M855 HydrophobicContact CE1-CE 3.7Å; F851-M855 HydrophobicContact CE1-CG 4.45Å; F851-M855 HydrophobicContact CE1-SD 3.9Å; F851-M855 HydrophobicContact CG-SD 4.31Å; S852-M855 PolarHBondContact O-N 3.21Å; S852-M855 VanDerWaalsContact O-N 3.08Å; S852-M855 VanDerWaalsContact OG-CB 3.27Å; S852-M855 WeakPolarHBondContact OG-CB 3.46Å; S852-M855 PolarHBondContact OG-N 2.84Å; M855-A857 VanDerWaalsContact C-N 3.29Å; M855-A857 PolarHBondContact O-N 2.92Å; M855-A858 PolarHBondContact O-N 2.84Å; M855-C859 PolarHBondContact O-N 2.86Å; M855-C859 PolarHBondContact O-SG 2.91Å |
| 856 | I | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 172.9 | -63.3 | 168.9 | 0 | 0 | 0 | 109.9 | L830 L838 L843 A846 K847 F851 S852 C859 S860 V867 | L830-I856 HydrophobicContact CD1-CG1 4.38Å; L838-I856 HydrophobicContact CD1-CG2 3.75Å; L843-I856 HydrophobicContact CD2-CD1 4.38Å; L843-I856 HydrophobicContact CD2-CG2 4.46Å; A846-I856 HydrophobicContact CB-CD1 3.8Å; A846-I856 HydrophobicContact CB-CG1 4.27Å; K847-I856 HydrophobicContact CD-CD1 3.88Å; F851-I856 HydrophobicContact CB-CD1 4.23Å; F851-I856 HydrophobicContact CB-CG1 3.95Å; S852-I856 WeakPolarHBondContact O-CG1 3.48Å; S852-I856 PolarHBondContact O-N 2.86Å; I856-C859 PolarHBondContact O-N 3.28Å; I856-S860 VanDerWaalsContact O-CB 3.3Å; I856-S860 WeakPolarHBondContact O-CB 3.44Å; I856-S860 PolarHBondContact O-N 3.01Å; I856-S860 PolarHBondContact O-OG 2.97Å; I856-V867 HydrophobicContact CB-CG1 4.13Å; I856-V867 HydrophobicContact CB-CG2 4.42Å; I856-V867 HydrophobicContact CD1-CG1 4.39Å; I856-V867 HydrophobicContact CG2-CG1 3.89Å; I856-V867 HydrophobicContact CG2-CG2 4.01Å |
| 857 | A | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D853 R854 M855 C859 S860 G861 S862 V867 | D853-A857 WeakPolarHBondContact O-CB 3.42Å; D853-A857 PolarHBondContact O-N 3.39Å; R854-A857 PolarHBondContact O-N 3.48Å; M855-A857 VanDerWaalsContact C-N 3.29Å; M855-A857 PolarHBondContact O-N 2.92Å; A857-C859 PolarHBondContact O-N 3.48Å; A857-S860 PolarHBondContact O-N 3.09Å; A857-G861 PolarHBondContact O-N 3.41Å; A857-S862 PolarHBondContact O-N 2.8Å; A857-V867 HydrophobicContact CB-CG2 3.81Å |
| 858 | A | 91.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 50% | 0.496 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L762 R854 M855 | L762-A858 HydrophobicContact CD1-CB 4Å; R854-A858 WeakPolarHBondContact O-CB 3.42Å; R854-A858 PolarHBondContact O-N 3.17Å; M855-A858 PolarHBondContact O-N 2.84Å |
| 859 | C | 92.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | 177.3 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | L830 K831 M855 I856 A857 | L830-C859 HydrophobicContact CB-CB 3.92Å; K831-C859 HydrophobicContact CG-CB 4.08Å; M855-C859 PolarHBondContact O-N 2.86Å; M855-C859 PolarHBondContact O-SG 2.91Å; I856-C859 PolarHBondContact O-N 3.28Å; A857-C859 PolarHBondContact O-N 3.48Å |
| 860 | S | 88.5 | Confident | 94.1 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -93.9 | 4.4 | -174.1 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | L833 I856 A857 | L833-S860 WeakPolarHBondContact O-CA 3.36Å; I856-S860 VanDerWaalsContact O-CB 3.3Å; I856-S860 WeakPolarHBondContact O-CB 3.44Å; I856-S860 PolarHBondContact O-N 3.01Å; I856-S860 PolarHBondContact O-OG 2.97Å; A857-S860 PolarHBondContact O-N 3.09Å |
| 861 | G | 85.8 | Confident | 94 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 77% | 0.773 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 39.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A857 | A857-G861 PolarHBondContact O-N 3.41Š|
| 862 | S | 92.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | trans | -128.1 | -164.5 | -174.2 | -164.2 | 0 | 0 | 0 | 0 | 112.6 | V835 A857 A866 | V835-S862 VanDerWaalsContact CG2-OG 3.28Å; V835-S862 WeakPolarHBondContact CG2-OG 3.33Å; A857-S862 PolarHBondContact O-N 2.8Å; S862-A866 WeakPolarHBondContact OG-CB 3.48Å | ||
| 863 | T | 92.6 | Very high | 93.6 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 53% | 0.534 | 25% | 0.245 | S | C | . | . | trans | -118.6 | 151.5 | 175.3 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | V865 A866 V867 | T863-V865 PolarHBondContact O-N 2.81Å; T863-A866 WeakPolarHBondContact O-CB 3.2Å; T863-A866 PolarHBondContact O-N 3.27Å; T863-A866 WeakPolarHBondContact OG1-CB 3.4Å; T863-A866 PolarHBondContact OG1-N 3.16Å; T863-V867 PolarHBondContact O-N 3.11Å | ||
| 864 | E | 94.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -50.2 | -43.3 | 177.2 | -176.5 | 179.1 | -168.1 | 0 | 0 | 111.8 | D853 R854 A866 V867 R868 F976 E977 | D853-E864 HydrophobicContact CB-CG 3.95Å; R854-E864 HydrophobicContact CG-CB 3.99Å; R854-E864 HydrophobicContact CG-CG 3.75Å; R854-E864 WeakPolarHBondContact CG-OE2 3.44Å; R854-E864 IonicContact CZ-OE2 2.74Å; R854-E864 IonicContact NE-OE1 3.34Å; R854-E864 PolarHBondContact NE-OE1 3.13Å; R854-E864 IonicContact NE-OE2 3.36Å; R854-E864 PolarHBondContact NE-OE2 2.76Å; R854-E864 IonicContact NH2-OE2 3.37Å; R854-E864 PolarHBondContact NH2-OE2 2.73Å; E864-A866 PolarHBondContact O-N 2.69Å; E864-V867 PolarHBondContact O-N 2.8Å; E864-R868 PolarHBondContact O-N 2.96Å; E864-F976 HydrophobicContact CG-CD1 4.24Å; E864-E977 PolarHBondContact OE1-N 3.28Å |
| 865 | V | 93.7 | Very high | 93.4 | Very high | 67 Ų | 67 | 43 Ų | 43 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 179 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | T863 K869 F976 | T863-V865 PolarHBondContact O-N 2.81Å; V865-K869 WeakPolarHBondContact O-CB 3.45Å; V865-K869 PolarHBondContact O-N 3.26Å; V865-F976 HydrophobicContact CG2-CE1 4.17Å; V865-F976 HydrophobicContact CG2-CZ 4.43Å |
| 866 | A | 92.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S862 T863 E864 K869 I870 | S862-A866 WeakPolarHBondContact OG-CB 3.48Å; T863-A866 WeakPolarHBondContact O-CB 3.2Å; T863-A866 PolarHBondContact O-N 3.27Å; T863-A866 WeakPolarHBondContact OG1-CB 3.4Å; T863-A866 PolarHBondContact OG1-N 3.16Å; E864-A866 PolarHBondContact O-N 2.69Å; A866-K869 PolarHBondContact O-N 3.11Å; A866-I870 WeakPolarHBondContact O-CG1 3.19Å; A866-I870 PolarHBondContact O-N 2.77Å; A866-I870 VanDerWaalsContact O-N 3.14Å |
| 867 | V | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | V835 L843 D853 I856 A857 T863 E864 K869 I870 R871 | V835-V867 HydrophobicContact CG2-CG2 4.44Å; L843-V867 HydrophobicContact CD2-CG1 4.42Å; D853-V867 HydrophobicContact CB-CB 4.3Å; D853-V867 HydrophobicContact CB-CG1 4.05Å; I856-V867 HydrophobicContact CB-CG1 4.13Å; I856-V867 HydrophobicContact CB-CG2 4.42Å; I856-V867 HydrophobicContact CD1-CG1 4.39Å; I856-V867 HydrophobicContact CG2-CG1 3.89Å; I856-V867 HydrophobicContact CG2-CG2 4.01Å; A857-V867 HydrophobicContact CB-CG2 3.81Å; T863-V867 PolarHBondContact O-N 3.11Å; E864-V867 PolarHBondContact O-N 2.8Å; V867-K869 VanDerWaalsContact C-N 3.33Å; V867-K869 PolarHBondContact O-N 3.34Å; V867-I870 PolarHBondContact O-N 3.02Å; V867-R871 PolarHBondContact O-N 2.89Å |
| 868 | R | 95 | Very high | 93.5 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 4% | 0.038 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.2 | -48.5 | 175.1 | -178 | -179.3 | -168.6 | 72.1 | 10.9 | 112.2 | E864 I870 R871 Q872 E977 M980 D981 E984 | E864-R868 PolarHBondContact O-N 2.96Å; R868-I870 VanDerWaalsContact C-N 3.3Å; R868-I870 PolarHBondContact O-N 2.91Å; R868-R871 WeakPolarHBondContact O-CB 3.33Å; R868-R871 PolarHBondContact O-N 2.95Å; R868-Q872 HydrophobicContact CG-CG 4.45Å; R868-Q872 WeakPolarHBondContact O-CG 3.37Å; R868-Q872 PolarHBondContact O-N 3.12Å; R868-E977 PolarHBondContact NH1-O 3.39Å; R868-M980 VanDerWaalsContact CZ-CB 3.45Å; R868-D981 IonicContact CZ-OD1 2.78Å; R868-D981 IonicContact NH1-OD1 3.96Å; R868-D981 PolarHBondContact NH1-OD1 2.92Å; R868-D981 IonicContact NH2-OD1 3.52Å; R868-D981 PolarHBondContact NH2-OD1 3.29Å; R868-E984 IonicContact CZ-OE1 3.08Å; R868-E984 IonicContact NE-OE1 3.5Å; R868-E984 PolarHBondContact NE-OE1 3.41Å; R868-E984 IonicContact NH2-OE1 2.86Å; R868-E984 PolarHBondContact NH2-OE1 2.81Å; R868-E984 IonicContact NH2-OE2 3.23Å; R868-E984 PolarHBondContact NH2-OE2 2.83Å |
| 869 | K | 93.7 | Very high | 93.7 | Very high | 132 Ų | 132 | 46.3 Ų | 46.3 | 57% | 0.574 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62 | -38 | -178.7 | -170.1 | 170.4 | -175.4 | 175.3 | 0 | 112.4 | V865 A866 V867 N873 | V865-K869 WeakPolarHBondContact O-CB 3.45Å; V865-K869 PolarHBondContact O-N 3.26Å; A866-K869 PolarHBondContact O-N 3.11Å; V867-K869 VanDerWaalsContact C-N 3.33Å; V867-K869 PolarHBondContact O-N 3.34Å; K869-N873 WeakPolarHBondContact O-CB 3.41Å; K869-N873 PolarHBondContact O-N 2.74Å; K869-N873 PolarHBondContact O-ND2 3.34Å; K869-N873 PolarHBondContact O-OD1 3.04Å |
| 870 | I | 94.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 175.4 | -66.4 | 168.3 | 0 | 0 | 0 | 110.4 | V835 L843 A866 V867 R868 Q872 N873 L874 | V835-I870 HydrophobicContact CG2-CD1 3.4Å; L843-I870 HydrophobicContact CD1-CG2 3.76Å; A866-I870 WeakPolarHBondContact O-CG1 3.19Å; A866-I870 PolarHBondContact O-N 2.77Å; A866-I870 VanDerWaalsContact O-N 3.14Å; V867-I870 PolarHBondContact O-N 3.02Å; R868-I870 VanDerWaalsContact C-N 3.3Å; R868-I870 PolarHBondContact O-N 2.91Å; I870-Q872 VanDerWaalsContact C-N 3.33Å; I870-Q872 PolarHBondContact O-N 3.45Å; I870-N873 PolarHBondContact O-N 3.2Å; I870-L874 HydrophobicContact CG2-CD1 3.75Å; I870-L874 HydrophobicContact CG2-CG 4.41Å; I870-L874 WeakPolarHBondContact O-CB 3.44Å; I870-L874 WeakPolarHBondContact O-CG 3.34Å; I870-L874 PolarHBondContact O-N 2.96Å |
| 871 | R | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55 | -49.2 | 174.3 | -71.1 | -163.3 | -55 | 108 | -12.5 | 111.4 | L843 D853 V867 R868 N873 L874 G875 V876 Y901 D981 | L843-R871 HydrophobicContact CD1-CG 4.34Å; L843-R871 HydrophobicContact CD2-CG 4.25Å; D853-R871 VanDerWaalsContact CG-NE 3.34Å; D853-R871 WeakPolarHBondContact OD1-CD 3.47Å; D853-R871 IonicContact OD1-CZ 2.91Å; D853-R871 IonicContact OD1-NE 3.73Å; D853-R871 PolarHBondContact OD1-NE 3.49Å; D853-R871 IonicContact OD1-NH2 2.62Å; D853-R871 IonicContact OD2-CZ 3.85Å; D853-R871 IonicContact OD2-NE 3.94Å; D853-R871 PolarHBondContact OD2-NE 3.19Å; D853-R871 IonicContact OD2-NH2 2.87Å; D853-R871 PolarHBondContact OD2-NH2 3.15Å; V867-R871 PolarHBondContact O-N 2.89Å; R868-R871 WeakPolarHBondContact O-CB 3.33Å; R868-R871 PolarHBondContact O-N 2.95Å; R871-N873 PolarHBondContact O-N 3.14Å; R871-L874 CarbonylContact O-C 3.55Å; R871-L874 PolarHBondContact O-N 2.85Å; R871-G875 PolarHBondContact O-N 3.48Å; R871-V876 HydrophobicContact CB-CB 4.14Å; R871-V876 HydrophobicContact CG-CB 4.38Å; R871-V876 PolarHBondContact NH1-O 3.42Å; R871-V876 PolarHBondContact O-N 2.9Å; R871-Y901 PolarHBondContact NH1-OH 2.94Å; R871-D981 IonicContact NH2-OD1 3.6Å; R871-D981 PolarHBondContact NH2-OD1 3.32Å; R871-D981 IonicContact NH2-OD2 3.29Å |
| 872 | Q | 93.2 | Very high | 94.4 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 178.1 | -73 | 176.6 | -33.1 | 0 | 0 | 111.9 | R868 I870 L874 G875 E984 | R868-Q872 HydrophobicContact CG-CG 4.45Å; R868-Q872 WeakPolarHBondContact O-CG 3.37Å; R868-Q872 PolarHBondContact O-N 3.12Å; I870-Q872 VanDerWaalsContact C-N 3.33Å; I870-Q872 PolarHBondContact O-N 3.45Å; Q872-L874 PolarHBondContact O-N 2.86Å; Q872-G875 PolarHBondContact O-N 2.98Å; Q872-G875 VanDerWaalsContact O-N 3.07Å; Q872-E984 VanDerWaalsContact NE2-CD 3.26Å; Q872-E984 PolarHBondContact NE2-OE1 3.43Å; Q872-E984 PolarHBondContact NE2-OE2 3.29Å |
| 873 | N | 94.2 | Very high | 94.3 | Very high | 124 Ų | 124 | 41 Ų | 41 | 66% | 0.663 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.2 | -30.2 | 178 | -70.5 | -17.3 | 0 | 0 | 0 | 113.1 | K869 I870 R871 | K869-N873 WeakPolarHBondContact O-CB 3.41Å; K869-N873 PolarHBondContact O-N 2.74Å; K869-N873 PolarHBondContact O-ND2 3.34Å; K869-N873 PolarHBondContact O-OD1 3.04Å; I870-N873 PolarHBondContact O-N 3.2Å; R871-N873 PolarHBondContact O-N 3.14Å |
| 874 | L | 95 | Very high | 94.2 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -92.7 | -2.8 | 178.6 | -64.9 | 174.8 | 0 | 0 | 0 | 113.4 | K840 L843 I870 R871 Q872 V876 | K840-L874 HydrophobicContact CB-CD1 4.25Å; K840-L874 HydrophobicContact CD-CB 4.49Å; K840-L874 VanDerWaalsContact CE-O 3.28Å; K840-L874 WeakPolarHBondContact CE-O 3.16Å; K840-L874 HydrophobicContact CG-CB 4.4Å; K840-L874 PolarHBondContact NZ-O 3.25Å; L843-L874 HydrophobicContact CD1-CD1 3.77Å; I870-L874 HydrophobicContact CG2-CD1 3.75Å; I870-L874 HydrophobicContact CG2-CG 4.41Å; I870-L874 WeakPolarHBondContact O-CB 3.44Å; I870-L874 WeakPolarHBondContact O-CG 3.34Å; I870-L874 PolarHBondContact O-N 2.96Å; R871-L874 CarbonylContact O-C 3.55Å; R871-L874 PolarHBondContact O-N 2.85Å; Q872-L874 PolarHBondContact O-N 2.86Å; L874-V876 HydrophobicContact CB-CG2 4.08Å |
| 875 | G | 93.8 | Very high | 93.8 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 53% | 0.526 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 37.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R871 Q872 | R871-G875 PolarHBondContact O-N 3.48Å; Q872-G875 PolarHBondContact O-N 2.98Å; Q872-G875 VanDerWaalsContact O-N 3.07Å |
| 876 | V | 96.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | trans | -97.5 | 89.7 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | K840 L843 I844 K847 R871 L874 Y901 | K840-V876 HydrophobicContact CG-CG2 3.93Å; L843-V876 HydrophobicContact CB-CG1 4.45Å; L843-V876 HydrophobicContact CB-CG2 4.46Å; I844-V876 HydrophobicContact CD1-CG2 4.42Å; I844-V876 HydrophobicContact CG1-CG1 3.9Å; I844-V876 HydrophobicContact CG1-CG2 3.89Å; K847-V876 HydrophobicContact CG-CG1 4.41Å; R871-V876 HydrophobicContact CB-CB 4.14Å; R871-V876 HydrophobicContact CG-CB 4.38Å; R871-V876 PolarHBondContact NH1-O 3.42Å; R871-V876 PolarHBondContact O-N 2.9Å; L874-V876 HydrophobicContact CB-CG2 4.08Å; V876-Y901 HydrophobicContact CG1-CD1 4.18Å; V876-Y901 HydrophobicContact CG1-CE1 3.99Å | ||
| 877 | C | 95.5 | Very high | 93.4 | Very high | 58 Ų | 58 | 31.2 Ų | 31.2 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | trans | -122.9 | 153 | -177.7 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | Y901 | C877-Y901 VanDerWaalsContact C-CE1 3.47Š| ||
| 878 | P | 96.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 7% | 0.071 | 17% | 0.17 | C | C | . | . | trans | -77.2 | 159.7 | 175.2 | 32.6 | -32.7 | 0 | 0 | 0 | 111.6 | F899 T900 Y901 D981 | P878-F899 HydrophobicContact CB-CB 3.97Å; P878-F899 HydrophobicContact CB-CD1 3.78Å; P878-F899 HydrophobicContact CB-CE1 4.49Å; P878-F899 HydrophobicContact CB-CG 4.01Å; P878-F899 HydrophobicContact CG-CD1 3.81Å; P878-F899 HydrophobicContact CG-CE1 4.08Å; P878-F899 HydrophobicContact CG-CG 4.09Å; P878-T900 WeakPolarHBondContact CA-O 3.32Å; P878-Y901 HydrophobicContact CB-CD2 4.09Å; P878-Y901 HydrophobicContact CB-CE1 4.33Å; P878-Y901 HydrophobicContact CB-CE2 3.7Å; P878-Y901 WeakPolarHBondContact CD-OH 3.44Å; P878-Y901 HydrophobicContact CG-CE2 4.33Å; P878-D981 HydrophobicContact CG-CB 4.1Å | ||
| 879 | F | 96.2 | Very high | 92.9 | Very high | 61 Ų | 61 | 31 Ų | 31 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 146.3 | 172.7 | -63.3 | -76.9 | 0 | 0 | 0 | 111.2 | F899 T900 G903 D904 E905 | F879-F899 CarbonylContact O-C 3.53Å; F879-F899 WeakPolarHBondContact O-CA 3.39Å; F879-T900 PolarHBondContact N-O 3.22Å; F879-T900 PolarHBondContact O-N 3.42Å; F879-G903 WeakPolarHBondContact CD2-O 3.36Å; F879-G903 WeakPolarHBondContact CE2-O 3.27Å; F879-D904 WeakPolarHBondContact CE1-O 3.41Å; F879-D904 VanDerWaalsContact CZ-O 3.26Å; F879-D904 WeakPolarHBondContact CZ-O 3.38Å; F879-E905 VanDerWaalsContact CD1-C 3.4Å |
| 880 | L | 95 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.4 | 174.1 | -75.7 | 171.3 | 0 | 0 | 0 | 110.1 | L897 F899 S906 D907 I908 L970 V985 F986 | L880-L897 HydrophobicContact CD2-CB 4.33Å; L880-L897 HydrophobicContact CD2-CD1 4.39Å; L880-F899 HydrophobicContact CD2-CD1 3.68Å; L880-F899 HydrophobicContact CD2-CE1 3.42Å; L880-F899 VanDerWaalsContact CD2-CE1 3.42Å; L880-F899 HydrophobicContact CD2-CG 4.43Å; L880-F899 HydrophobicContact CD2-CZ 3.99Å; L880-F899 HydrophobicContact CG-CD1 4.06Å; L880-F899 HydrophobicContact CG-CE1 3.63Å; L880-F899 HydrophobicContact CG-CZ 4.46Å; L880-S906 PolarHBondContact N-OG 2.51Å; L880-S906 CarbonylContact O-C 3.33Å; L880-S906 WeakPolarHBondContact O-CA 3.1Å; L880-D907 PolarHBondContact O-N 2.83Å; L880-I908 HydrophobicContact CD1-CG2 4.49Å; L880-L970 HydrophobicContact CD2-CD1 3.85Å; L880-V985 HydrophobicContact CD1-CG1 3.54Å; L880-V985 HydrophobicContact CG-CG1 4.32Å; L880-F986 HydrophobicContact CD1-CE1 3.78Å; L880-F986 HydrophobicContact CD1-CZ 3.67Å; L880-F986 HydrophobicContact CD2-CZ 4.19Å |
| 881 | K | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.1 | 176 | -60.7 | -62.7 | -162.9 | 175.7 | 0 | 110.6 | D122 L897 Y898 T900 E905 D907 | D122-K881 IonicContact OD1-NZ 3.68Å; D122-K881 IonicContact OD2-NZ 3.91Å; D122-K881 PolarHBondContact OD2-NZ 3.08Å; K881-L897 VanDerWaalsContact O-CA 3.32Å; K881-L897 WeakPolarHBondContact O-CA 3.01Å; K881-Y898 HydrophobicContact CB-CD1 4.23Å; K881-Y898 HydrophobicContact CB-CE1 3.62Å; K881-Y898 HydrophobicContact CB-CE2 4.19Å; K881-Y898 PolarHBondContact N-O 3.14Å; K881-Y898 WeakPolarHBondContact O-CD1 3.4Å; K881-Y898 PolarHBondContact O-N 2.92Å; K881-T900 HydrophobicContact CG-CG2 3.61Å; K881-E905 WeakPolarHBondContact CE-O 3.37Å; K881-E905 PolarHBondContact NZ-O 2.69Å; K881-D907 WeakPolarHBondContact CA-OD2 3.38Å |
| 882 | H | 92.4 | Very high | 91.9 | Very high | 17 Ų | 17 | 28.3 Ų | 28.3 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 145 | 173.4 | -63.1 | 127.6 | 0 | 0 | 0 | 111.6 | R124 D884 A892 T894 L897 D907 | R124-H882 PolarHBondContact NH2-O 3.3Å; H882-D884 PolarHBondContact O-N 2.91Å; H882-A892 HydrophobicContact CB-CB 4.28Å; H882-T894 HydrophobicContact CB-CG2 3.73Å; H882-T894 PolarHBondContact CD2-O 2.96Å; H882-T894 PolarHBondContact NE2-O 2.86Å; H882-L897 WeakPolarHBondContact CD2-CD2 3.22Å; H882-D907 PolarHBondContact N-OD2 2.99Å; H882-D907 IonicContact ND1-OD2 3.49Å |
| 883 | I | 90.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -70.7 | 110.5 | 157 | -62.5 | -60.6 | 0 | 0 | 0 | 108 | Y709 I742 T894 Y896 Y898 | Y709-I883 HydrophobicContact CE2-CD1 3.94Å; Y709-I883 WeakPolarHBondContact OH-CG2 3.37Å; I742-I883 HydrophobicContact CD1-CD1 3.57Å; I742-I883 HydrophobicContact CD1-CG1 4.46Å; I742-I883 HydrophobicContact CG2-CD1 3.93Å; I883-T894 VanDerWaalsContact O-CG2 3.23Å; I883-T894 WeakPolarHBondContact O-CG2 3.23Å; I883-Y896 HydrophobicContact CB-CD1 3.47Å; I883-Y896 VanDerWaalsContact CB-CD1 3.47Å; I883-Y896 HydrophobicContact CB-CE1 3.91Å; I883-Y896 HydrophobicContact CB-CG 3.92Å; I883-Y896 HydrophobicContact CG1-CD1 3.56Å; I883-Y896 HydrophobicContact CG1-CD2 4.13Å; I883-Y896 HydrophobicContact CG1-CE1 3.69Å; I883-Y896 HydrophobicContact CG1-CE2 4.28Å; I883-Y896 HydrophobicContact CG1-CG 3.76Å; I883-Y896 HydrophobicContact CG2-CD1 3.51Å; I883-Y896 HydrophobicContact CG2-CE1 3.63Å; I883-Y896 HydrophobicContact CG2-CG 4.44Å; I883-Y896 PolarHBondContact N-O 2.8Å; I883-Y898 HydrophobicContact CD1-CD1 3.49Å; I883-Y898 VanDerWaalsContact CD1-CD1 3.49Å; I883-Y898 HydrophobicContact CD1-CE1 3.92Å; I883-Y898 HydrophobicContact CD1-CG 4.4Å; I883-Y898 HydrophobicContact CG1-CD1 4.21Å | ||
| 884 | D | 89.2 | Confident | 90.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -117.4 | 132.4 | -173.2 | -165.6 | -18.8 | 0 | 0 | 0 | 110.5 | R124 Y709 H882 L886 A888 A892 | R124-D884 IonicContact NH2-OD2 3.76Å; Y709-D884 PolarHBondContact OH-O 2.99Å; H882-D884 PolarHBondContact O-N 2.91Å; D884-L886 PolarHBondContact OD1-N 3.41Å; D884-A888 WeakPolarHBondContact OD2-CA 3.23Å; D884-A888 PolarHBondContact OD2-N 2.73Å; D884-A892 HydrophobicContact CB-CB 4.43Å | ||
| 885 | T | 85.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -83.2 | -12.7 | 178.3 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | T671 N693 V695 F703 P705 S706 | T671-T885 WeakPolarHBondContact O-CG2 3.26Å; N693-T885 PolarHBondContact ND2-OG1 3.33Å; V695-T885 HydrophobicContact CB-CG2 4.25Å; V695-T885 HydrophobicContact CG1-CG2 4.5Å; V695-T885 HydrophobicContact CG2-CG2 3.78Å; F703-T885 HydrophobicContact CZ-CG2 4.33Å; P705-T885 CarbonylContact C-O 3.42Å; P705-T885 VanDerWaalsContact CA-O 3.28Å; P705-T885 WeakPolarHBondContact CA-O 3.48Å; S706-T885 PolarHBondContact N-O 3.2Å; S706-T885 CarbonylContact O-C 3.52Å |
| 886 | L | 88.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -131.3 | 25.1 | -173.1 | -67.3 | 172.3 | 0 | 0 | 0 | 112.4 | T696 T699 F703 D884 A888 E889 W890 | T696-L886 HydrophobicContact CG2-CD1 4Å; T699-L886 HydrophobicContact CG2-CD1 4.09Å; F703-L886 HydrophobicContact CD2-CD2 3.43Å; F703-L886 VanDerWaalsContact CD2-CD2 3.43Å; F703-L886 HydrophobicContact CD2-CG 4.26Å; F703-L886 HydrophobicContact CE2-CD2 3.6Å; F703-L886 HydrophobicContact CE2-CG 3.95Å; F703-L886 HydrophobicContact CG-CD2 4.12Å; F703-L886 HydrophobicContact CZ-CD2 4.39Å; F703-L886 HydrophobicContact CZ-CG 4.38Å; D884-L886 PolarHBondContact OD1-N 3.41Å; L886-A888 VanDerWaalsContact C-N 3.26Å; L886-A888 PolarHBondContact O-N 3.14Å; L886-A888 VanDerWaalsContact O-N 3.07Å; L886-E889 WeakPolarHBondContact O-CB 3.23Å; L886-E889 PolarHBondContact O-N 3.07Å; L886-W890 HydrophobicContact CD1-CB 4.06Å; L886-W890 HydrophobicContact CD1-CG 4.06Å |
| 887 | A | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T32 T54 S706 D708 E889 | T32-A887 HydrophobicContact CG2-CB 4.05Å; T54-A887 WeakPolarHBondContact OG1-CB 3.36Å; S706-A887 PolarHBondContact O-N 3.44Å; D708-A887 HydrophobicContact CB-CB 3.92Å; A887-E889 PolarHBondContact O-N 3.42Å |
| 888 | A | 90.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 5.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | R124 T127 K128 R131 D884 L886 W890 | R124-A888 HydrophobicContact CG-CB 4Å; T127-A888 HydrophobicContact CG2-CB 4.12Å; K128-A888 HydrophobicContact CG-CB 4.12Å; R131-A888 PolarHBondContact NH1-O 2.66Å; D884-A888 WeakPolarHBondContact OD2-CA 3.23Å; D884-A888 PolarHBondContact OD2-N 2.73Å; L886-A888 VanDerWaalsContact C-N 3.26Å; L886-A888 PolarHBondContact O-N 3.14Å; L886-A888 VanDerWaalsContact O-N 3.07Å; A888-W890 VanDerWaalsContact C-N 3.26Å; A888-W890 PolarHBondContact O-N 3.16Å |
| 889 | E | 89.7 | Confident | 90.5 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -59.7 | -38.4 | 174.1 | -177.9 | 173.7 | 163.8 | 0 | 0 | 111.9 | F30 T32 R131 Q281 L886 A887 | F30-E889 HydrophobicContact CE2-CB 4.1Å; F30-E889 HydrophobicContact CE2-CG 3.86Å; F30-E889 HydrophobicContact CZ-CG 4.21Å; T32-E889 HydrophobicContact CG2-CB 3.97Å; T32-E889 WeakPolarHBondContact CG2-OE2 3.43Å; T32-E889 PolarHBondContact OG1-OE2 3.48Å; R131-E889 WeakPolarHBondContact CD-O 3.49Å; R131-E889 WeakPolarHBondContact CG-O 3.37Å; Q281-E889 PolarHBondContact NE2-OE1 3Å; L886-E889 WeakPolarHBondContact O-CB 3.23Å; L886-E889 PolarHBondContact O-N 3.07Å; A887-E889 PolarHBondContact O-N 3.42Å |
| 890 | W | 88.3 | Confident | 90.6 | Very high | 40 Ų | 40 | 15 Ų | 15 | 15% | 0.152 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -116.6 | 151.3 | 174 | -69.8 | 83.1 | 0 | 0 | 0 | 110.7 | R131 N319 D320 T696 V698 T699 L886 A888 A892 | R131-W890 PolarHBondContact NH1-O 2.94Å; N319-W890 HydrophobicContact CB-CH2 4.31Å; N319-W890 HydrophobicContact CB-CZ2 3.94Å; D320-W890 HydrophobicContact CB-CH2 4.09Å; T696-W890 HydrophobicContact CG2-CB 3.96Å; V698-W890 HydrophobicContact CG2-CE3 4.14Å; V698-W890 HydrophobicContact CG2-CZ3 4.48Å; T699-W890 HydrophobicContact CG2-CB 4.24Å; T699-W890 HydrophobicContact CG2-CD2 3.61Å; T699-W890 HydrophobicContact CG2-CE3 3.95Å; T699-W890 HydrophobicContact CG2-CG 3.73Å; L886-W890 HydrophobicContact CD1-CB 4.06Å; L886-W890 HydrophobicContact CD1-CG 4.06Å; A888-W890 VanDerWaalsContact C-N 3.26Å; A888-W890 PolarHBondContact O-N 3.16Å; W890-A892 PolarHBondContact O-N 3.22Å; W890-A892 VanDerWaalsContact O-N 3.1Å |
| 891 | P | 87.7 | Confident | 90.6 | Very high | 58 Ų | 58 | 16.1 Ų | 16.1 | 38% | 0.377 | 8% | 0.082 | S | C | . | . | trans | -63.1 | 114.6 | 176.8 | -21.6 | 33.9 | 0 | 0 | 0 | 111.6 | ||||
| 892 | A | 86.4 | Confident | 90.6 | Very high | 17 Ų | 17 | 17.6 Ų | 17.6 | 14% | 0.14 | 9% | 0.09 | C | C | . | . | trans | -73.9 | 125.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V695 H882 D884 W890 T894 | V695-A892 HydrophobicContact CG1-CB 4.09Å; H882-A892 HydrophobicContact CB-CB 4.28Å; D884-A892 HydrophobicContact CB-CB 4.43Å; W890-A892 PolarHBondContact O-N 3.22Å; W890-A892 VanDerWaalsContact O-N 3.1Å; A892-T894 HydrophobicContact CB-CG2 4.23Å | ||
| 893 | Q | 82.8 | Confident | 90.6 | Very high | 124 Ų | 124 | 17.1 Ų | 17.1 | 58% | 0.579 | 9% | 0.09 | S | C | * | . | trans | -113.5 | 47.2 | 173.9 | -61 | -173.6 | 10.4 | 0 | 0 | 110.2 | V695 R697 | V695-Q893 CarbonylContact O-C 3.53Å; V695-Q893 WeakPolarHBondContact O-CA 3.43Å; V695-Q893 PolarHBondContact O-N 3.48Å; R697-Q893 HydrophobicContact CG-CB 4.43Å | ||
| 894 | T | 84.9 | Confident | 90.6 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | trans | -103.7 | 145.4 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | V695 H882 I883 A892 Y896 | V695-T894 HydrophobicContact CG1-CG2 4.2Å; H882-T894 HydrophobicContact CB-CG2 3.73Å; H882-T894 PolarHBondContact CD2-O 2.96Å; H882-T894 PolarHBondContact NE2-O 2.86Å; I883-T894 VanDerWaalsContact O-CG2 3.23Å; I883-T894 WeakPolarHBondContact O-CG2 3.23Å; A892-T894 HydrophobicContact CB-CG2 4.23Å; T894-Y896 VanDerWaalsContact C-N 3.29Å; T894-Y896 WeakPolarHBondContact OG1-CB 3.35Å; T894-Y896 PolarHBondContact OG1-N 3.41Å | ||
| 895 | N | 88.5 | Confident | 90.8 | Very high | 29 Ų | 29 | 24.4 Ų | 24.4 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | trans | -90.2 | 5 | 172.9 | 66.8 | -34.8 | 0 | 0 | 0 | 112.6 | Y963 C966 D967 M968 L969 | N895-Y963 PolarHBondContact ND2-O 3.22Å; N895-Y963 WeakPolarHBondContact OD1-CD2 3.36Å; N895-C966 PolarHBondContact ND2-O 3.16Å; N895-D967 WeakPolarHBondContact CB-O 3.45Å; N895-M968 WeakPolarHBondContact O-CA 3.37Å; N895-L969 PolarHBondContact O-N 3.43Å | ||
| 896 | Y | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115 | -177.6 | -171.5 | -156.8 | 0 | 0 | 0 | 110.9 | K669 M740 I883 T894 Y963 L969 F971 | K669-Y896 VanDerWaalsContact O-CE1 3.26Å; K669-Y896 WeakPolarHBondContact O-CE1 3.36Å; K669-Y896 PolarHBondContact O-OH 3.46Å; K669-Y896 VanDerWaalsContact O-OH 3.05Å; M740-Y896 WeakPolarHBondContact CE-OH 3.39Å; I883-Y896 HydrophobicContact CB-CD1 3.47Å; I883-Y896 VanDerWaalsContact CB-CD1 3.47Å; I883-Y896 HydrophobicContact CB-CE1 3.91Å; I883-Y896 HydrophobicContact CB-CG 3.92Å; I883-Y896 HydrophobicContact CG1-CD1 3.56Å; I883-Y896 HydrophobicContact CG1-CD2 4.13Å; I883-Y896 HydrophobicContact CG1-CE1 3.69Å; I883-Y896 HydrophobicContact CG1-CE2 4.28Å; I883-Y896 HydrophobicContact CG1-CG 3.76Å; I883-Y896 HydrophobicContact CG2-CD1 3.51Å; I883-Y896 HydrophobicContact CG2-CE1 3.63Å; I883-Y896 HydrophobicContact CG2-CG 4.44Å; I883-Y896 PolarHBondContact N-O 2.8Å; T894-Y896 VanDerWaalsContact C-N 3.29Å; T894-Y896 WeakPolarHBondContact OG1-CB 3.35Å; T894-Y896 PolarHBondContact OG1-N 3.41Å; Y896-Y963 HydrophobicContact CD1-CD1 4.1Å; Y896-Y963 HydrophobicContact CD1-CG 4.49Å; Y896-Y963 HydrophobicContact CG-CD1 4.41Å; Y896-Y963 HydrophobicContact CG-CG 4.36Å; Y896-L969 HydrophobicContact CD2-CB 4.35Å; Y896-L969 HydrophobicContact CD2-CD2 3.6Å; Y896-L969 HydrophobicContact CD2-CG 4Å; Y896-L969 HydrophobicContact CE2-CD2 3.73Å; Y896-L969 HydrophobicContact CE2-CG 4.33Å; Y896-F971 HydrophobicContact CD2-CB 4.27Å; Y896-F971 HydrophobicContact CE2-CB 3.52Å; Y896-F971 AromaticContact CE2-CD2 3.88Å; Y896-F971 HydrophobicContact CE2-CD2 3.88Å; Y896-F971 AromaticContact CE2-CG 3.87Å; Y896-F971 HydrophobicContact CE2-CG 3.87Å |
| 897 | L | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156.4 | -164.4 | -57.6 | 172.1 | 0 | 0 | 0 | 112.1 | L880 K881 H882 I908 M968 L969 F971 | L880-L897 HydrophobicContact CD2-CB 4.33Å; L880-L897 HydrophobicContact CD2-CD1 4.39Å; K881-L897 VanDerWaalsContact O-CA 3.32Å; K881-L897 WeakPolarHBondContact O-CA 3.01Å; H882-L897 WeakPolarHBondContact CD2-CD2 3.22Å; L897-I908 HydrophobicContact CD1-CG2 3.98Å; L897-I908 HydrophobicContact CD2-CG2 3.84Å; L897-M968 HydrophobicContact CD1-CB 4.12Å; L897-M968 HydrophobicContact CD1-CG 4.23Å; L897-M968 HydrophobicContact CD1-SD 4.04Å; L897-L969 PolarHBondContact N-O 2.94Å; L897-F971 PolarHBondContact O-N 3.07Å |
| 898 | Y | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156 | 167.5 | 68.5 | -79.2 | 0 | 0 | 0 | 110.8 | Y709 I742 K881 I883 T900 | Y709-Y898 HydrophobicContact CD1-CE1 4.5Å; Y709-Y898 HydrophobicContact CG-CE1 4.45Å; I742-Y898 HydrophobicContact CB-CD2 4.23Å; I742-Y898 HydrophobicContact CB-CG 4.13Å; I742-Y898 HydrophobicContact CG2-CD1 3.86Å; I742-Y898 HydrophobicContact CG2-CD2 3.75Å; I742-Y898 HydrophobicContact CG2-CE1 4.12Å; I742-Y898 HydrophobicContact CG2-CE2 4.04Å; I742-Y898 HydrophobicContact CG2-CG 3.66Å; K881-Y898 HydrophobicContact CB-CD1 4.23Å; K881-Y898 HydrophobicContact CB-CE1 3.62Å; K881-Y898 HydrophobicContact CB-CE2 4.19Å; K881-Y898 PolarHBondContact N-O 3.14Å; K881-Y898 WeakPolarHBondContact O-CD1 3.4Å; K881-Y898 PolarHBondContact O-N 2.92Å; I883-Y898 HydrophobicContact CD1-CD1 3.49Å; I883-Y898 VanDerWaalsContact CD1-CD1 3.49Å; I883-Y898 HydrophobicContact CD1-CE1 3.92Å; I883-Y898 HydrophobicContact CD1-CG 4.4Å; I883-Y898 HydrophobicContact CG1-CD1 4.21Å; Y898-T900 HydrophobicContact CE2-CG2 3.96Å |
| 899 | F | 97.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.7 | 171.8 | -82.3 | -49.8 | 0 | 0 | 0 | 111.3 | K752 P878 F879 L880 L970 V978 D981 A982 V985 | K752-F899 PolarHBondContact NZ-O 3.33Å; P878-F899 HydrophobicContact CB-CB 3.97Å; P878-F899 HydrophobicContact CB-CD1 3.78Å; P878-F899 HydrophobicContact CB-CE1 4.49Å; P878-F899 HydrophobicContact CB-CG 4.01Å; P878-F899 HydrophobicContact CG-CD1 3.81Å; P878-F899 HydrophobicContact CG-CE1 4.08Å; P878-F899 HydrophobicContact CG-CG 4.09Å; F879-F899 CarbonylContact O-C 3.53Å; F879-F899 WeakPolarHBondContact O-CA 3.39Å; L880-F899 HydrophobicContact CD2-CD1 3.68Å; L880-F899 HydrophobicContact CD2-CE1 3.42Å; L880-F899 VanDerWaalsContact CD2-CE1 3.42Å; L880-F899 HydrophobicContact CD2-CG 4.43Å; L880-F899 HydrophobicContact CD2-CZ 3.99Å; L880-F899 HydrophobicContact CG-CD1 4.06Å; L880-F899 HydrophobicContact CG-CE1 3.63Å; L880-F899 HydrophobicContact CG-CZ 4.46Å; F899-L970 HydrophobicContact CD2-CD1 3.9Å; F899-L970 HydrophobicContact CD2-CD2 3.8Å; F899-L970 HydrophobicContact CD2-CG 4.42Å; F899-L970 HydrophobicContact CE2-CD1 4.16Å; F899-L970 HydrophobicContact CE2-CD2 3.39Å; F899-L970 HydrophobicContact CE2-CG 4.4Å; F899-L970 HydrophobicContact CG-CD1 4.2Å; F899-L970 HydrophobicContact CZ-CD2 4.1Å; F899-V978 HydrophobicContact CD2-CG1 4.3Å; F899-V978 HydrophobicContact CE2-CG1 4.46Å; F899-D981 HydrophobicContact CE2-CB 4.07Å; F899-D981 HydrophobicContact CZ-CB 4.28Å; F899-A982 HydrophobicContact CE2-CB 4.2Å; F899-A982 HydrophobicContact CZ-CB 4.44Å; F899-V985 HydrophobicContact CE1-CG2 4.13Å; F899-V985 HydrophobicContact CZ-CG2 4.16Å |
| 900 | T | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 151.8 | 167.9 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | R744 E748 P878 F879 K881 Y898 N902 | R744-T900 HydrophobicContact CG-CG2 4.1Å; E748-T900 VanDerWaalsContact CD-OG1 3.27Å; E748-T900 VanDerWaalsContact OE1-CA 3.29Å; E748-T900 WeakPolarHBondContact OE1-CA 3.4Å; E748-T900 WeakPolarHBondContact OE1-CB 3.42Å; E748-T900 PolarHBondContact OE1-OG1 3.44Å; E748-T900 PolarHBondContact OE2-OG1 2.93Å; P878-T900 WeakPolarHBondContact CA-O 3.32Å; F879-T900 PolarHBondContact N-O 3.22Å; F879-T900 PolarHBondContact O-N 3.42Å; K881-T900 HydrophobicContact CG-CG2 3.61Å; Y898-T900 HydrophobicContact CE2-CG2 3.96Å; T900-N902 WeakPolarHBondContact OG1-CB 3.03Å; T900-N902 PolarHBondContact OG1-N 3.41Å |
| 901 | Y | 96.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -96.7 | 1 | 170.7 | -70.4 | -98.7 | 0 | 0 | 0 | 112.8 | E748 K847 Q848 R871 V876 C877 P878 G903 | E748-Y901 PolarHBondContact OE1-N 2.93Å; K847-Y901 HydrophobicContact CB-CD1 3.5Å; K847-Y901 HydrophobicContact CB-CD2 3.54Å; K847-Y901 HydrophobicContact CB-CE1 3.81Å; K847-Y901 HydrophobicContact CB-CE2 3.85Å; K847-Y901 HydrophobicContact CB-CG 3.34Å; K847-Y901 HydrophobicContact CD-CE2 4.45Å; K847-Y901 VanDerWaalsContact CE-CE2 3.46Å; K847-Y901 VanDerWaalsContact CE-CZ 3.45Å; K847-Y901 WeakPolarHBondContact CE-OH 3.3Å; K847-Y901 HydrophobicContact CG-CD1 3.94Å; K847-Y901 HydrophobicContact CG-CD2 4.36Å; K847-Y901 HydrophobicContact CG-CE1 3.75Å; K847-Y901 HydrophobicContact CG-CE2 4.2Å; K847-Y901 HydrophobicContact CG-CG 4.23Å; Q848-Y901 WeakPolarHBondContact CG-O 3.35Å; Q848-Y901 PolarHBondContact NE2-O 2.97Å; R871-Y901 PolarHBondContact NH1-OH 2.94Å; V876-Y901 HydrophobicContact CG1-CD1 4.18Å; V876-Y901 HydrophobicContact CG1-CE1 3.99Å; C877-Y901 VanDerWaalsContact C-CE1 3.47Å; P878-Y901 HydrophobicContact CB-CD2 4.09Å; P878-Y901 HydrophobicContact CB-CE1 4.33Å; P878-Y901 HydrophobicContact CB-CE2 3.7Å; P878-Y901 WeakPolarHBondContact CD-OH 3.44Å; P878-Y901 HydrophobicContact CG-CE2 4.33Å; Y901-G903 VanDerWaalsContact C-N 3.34Å; Y901-G903 PolarHBondContact O-N 3.3Å |
| 902 | N | 94 | Very high | 91 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -99.7 | 48.7 | 177.5 | -72.1 | -65.1 | 0 | 0 | 0 | 110.4 | R744 E748 Q848 T900 | R744-N902 HydrophobicContact CB-CB 3.52Å; R744-N902 HydrophobicContact CG-CB 4.08Å; E748-N902 PolarHBondContact OE2-ND2 3.42Å; Q848-N902 WeakPolarHBondContact CB-OD1 3.43Å; Q848-N902 VanDerWaalsContact CG-OD1 3.24Å; Q848-N902 WeakPolarHBondContact CG-OD1 3.35Å; Q848-N902 PolarHBondContact O-ND2 2.98Å; Q848-N902 VanDerWaalsContact O-ND2 3.09Å; T900-N902 WeakPolarHBondContact OG1-CB 3.03Å; T900-N902 PolarHBondContact OG1-N 3.41Å |
| 903 | G | 92 | Very high | 91.3 | Very high | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | trans | -152.2 | 164.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | D122 F879 Y901 | D122-G903 VanDerWaalsContact OD2-CA 3.28Å; D122-G903 WeakPolarHBondContact OD2-CA 3.15Å; F879-G903 WeakPolarHBondContact CD2-O 3.36Å; F879-G903 WeakPolarHBondContact CE2-O 3.27Å; Y901-G903 VanDerWaalsContact C-N 3.34Å; Y901-G903 PolarHBondContact O-N 3.3Å | ||
| 904 | D | 91.3 | Very high | 91.9 | Very high | 89 Ų | 89 | 34.1 Ų | 34.1 | 48% | 0.476 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -103.7 | -20.6 | -179.2 | -70.2 | -22.2 | 0 | 0 | 0 | 113.2 | D122 R125 F879 | D122-D904 HydrophobicContact CB-CB 4.24Å; D122-D904 PolarHBondContact OD2-N 3.05Å; R125-D904 IonicContact NH1-OD2 2.79Å; F879-D904 WeakPolarHBondContact CE1-O 3.41Å; F879-D904 VanDerWaalsContact CZ-O 3.26Å; F879-D904 WeakPolarHBondContact CZ-O 3.38Å |
| 905 | E | 93 | Very high | 92.5 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -150.4 | 160.3 | -177.2 | 65.8 | 179.3 | -144.6 | 0 | 0 | 111.8 | R125 K128 F879 K881 | R125-E905 WeakPolarHBondContact CD-OE2 3.38Å; R125-E905 HydrophobicContact CG-CG 4.33Å; R125-E905 IonicContact NE-OE2 3.22Å; R125-E905 PolarHBondContact NE-OE2 2.76Å; K128-E905 IonicContact NZ-OE1 3.67Å; K128-E905 PolarHBondContact NZ-OE1 3.37Å; F879-E905 VanDerWaalsContact CD1-C 3.4Å; K881-E905 WeakPolarHBondContact CE-O 3.37Å; K881-E905 PolarHBondContact NZ-O 2.69Å |
| 906 | S | 94.3 | Very high | 93 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | trans | -86.2 | 144 | 170.6 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | L880 | L880-S906 PolarHBondContact N-OG 2.51Å; L880-S906 CarbonylContact O-C 3.33Å; L880-S906 WeakPolarHBondContact O-CA 3.1Å | ||
| 907 | D | 92.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -76.9 | -23.3 | -179.4 | -74.6 | -26.6 | 0 | 0 | 0 | 114.2 | R124 K128 L880 K881 H882 | R124-D907 IonicContact CZ-OD2 2.78Å; R124-D907 IonicContact NE-OD1 3.21Å; R124-D907 PolarHBondContact NE-OD1 3.26Å; R124-D907 IonicContact NE-OD2 2.67Å; R124-D907 PolarHBondContact NE-OD2 3.38Å; R124-D907 IonicContact NH2-OD2 3.2Å; R124-D907 PolarHBondContact NH2-OD2 3.49Å; K128-D907 IonicContact NZ-OD1 3.3Å; K128-D907 PolarHBondContact NZ-OD1 2.86Å; K128-D907 VanDerWaalsContact NZ-OD1 3.08Å; L880-D907 PolarHBondContact O-N 2.83Å; K881-D907 WeakPolarHBondContact CA-OD2 3.38Å; H882-D907 PolarHBondContact N-OD2 2.99Å; H882-D907 IonicContact ND1-OD2 3.49Å |
| 908 | I | 89.1 | Confident | 93.2 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -133.1 | 146.2 | -175.7 | -166.8 | 160.4 | 0 | 0 | 0 | 110.6 | L880 L897 M968 | L880-I908 HydrophobicContact CD1-CG2 4.49Å; L897-I908 HydrophobicContact CD1-CG2 3.98Å; L897-I908 HydrophobicContact CD2-CG2 3.84Å; I908-M968 HydrophobicContact CD1-CE 3.67Å; I908-M968 HydrophobicContact CG1-CE 4.02Å |
| 909 | A | 87.5 | Confident | 93.1 | Very high | 76 Ų | 76 | 33.9 Ų | 33.9 | 63% | 0.628 | 20% | 0.2 | S | C | * | . | trans | -69.2 | 141.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 910 | P | 82 | Confident | 92.7 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | trans | -64.2 | 147.4 | 179 | -19 | 31 | 0 | 0 | 0 | 113.3 | E912 V985 F986 | P910-E912 PolarHBondContact O-N 3.4Å; P910-V985 HydrophobicContact CB-CG1 3.94Å; P910-V985 WeakPolarHBondContact CB-O 3.13Å; P910-V985 HydrophobicContact CG-CG1 3.77Å; P910-V985 WeakPolarHBondContact CG-O 3.28Å; P910-F986 HydrophobicContact CB-CD1 4.02Å | ||
| 911 | L | 89.2 | Confident | 92.3 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | trans | -86.9 | 77.4 | 175.7 | -161.4 | 64.3 | 0 | 0 | 0 | 111.8 | S914 R948 V950 D967 M968 F986 | L911-S914 WeakPolarHBondContact O-CB 3.24Å; L911-S914 PolarHBondContact O-N 2.93Å; L911-S914 PolarHBondContact O-OG 3.16Å; L911-R948 HydrophobicContact CD2-CB 3.99Å; L911-R948 HydrophobicContact CG-CB 4.32Å; L911-V950 HydrophobicContact CB-CG2 4.49Å; L911-V950 HydrophobicContact CD2-CG2 4.34Å; L911-D967 HydrophobicContact CD2-CB 3.62Å; L911-M968 HydrophobicContact CB-CE 3.79Å; L911-M968 HydrophobicContact CB-SD 3.73Å; L911-M968 HydrophobicContact CD1-CE 4.47Å; L911-M968 HydrophobicContact CD2-CG 4.35Å; L911-M968 HydrophobicContact CD2-SD 4.5Å; L911-F986 HydrophobicContact CB-CD1 4.47Å | ||
| 912 | E | 91.6 | Very high | 92 | Very high | 132 Ų | 132 | 32.7 Ų | 32.7 | 62% | 0.617 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 142 | 179.3 | -68.7 | -169.8 | -179.3 | 0 | 0 | 113.4 | P910 S914 F986 | P910-E912 PolarHBondContact O-N 3.4Å; E912-S914 PolarHBondContact O-N 2.98Å; E912-F986 VanDerWaalsContact CA-O 3.27Å; E912-F986 WeakPolarHBondContact CA-O 3.21Å |
| 913 | G | 92.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 13.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | N987 | G913-N987 PolarHBondContact N-O 2.84Å; G913-N987 VanDerWaalsContact N-O 3.16Å |
| 914 | S | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 163.9 | 174.7 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | L911 E912 R948 V950 P988 A989 | L911-S914 WeakPolarHBondContact O-CB 3.24Å; L911-S914 PolarHBondContact O-N 2.93Å; L911-S914 PolarHBondContact O-OG 3.16Å; E912-S914 PolarHBondContact O-N 2.98Å; S914-R948 CarbonylContact C-O 3.48Å; S914-R948 WeakPolarHBondContact CA-O 3.37Å; S914-V950 WeakPolarHBondContact OG-CG2 3.34Å; S914-P988 CarbonylContact O-C 3.47Å; S914-P988 WeakPolarHBondContact O-CA 3.3Å; S914-P988 WeakPolarHBondContact O-CB 3.42Å; S914-A989 PolarHBondContact O-N 3.12Å |
| 915 | H | 97.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.7 | 172.5 | -62.7 | 69.4 | 0 | 0 | 0 | 108.4 | L942 R948 T949 V950 | H915-L942 HydrophobicContact CB-CD1 4.44Å; H915-L942 HydrophobicContact CB-CD2 4.32Å; H915-R948 PolarHBondContact N-O 3.13Å; H915-R948 PolarHBondContact ND1-O 3.16Å; H915-T949 WeakPolarHBondContact O-CA 3.47Å; H915-V950 PolarHBondContact O-N 3.21Å |
| 916 | V | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124 | 179.9 | 173 | 0 | 0 | 0 | 0 | 109.4 | L918 V950 I952 P988 G990 V991 I992 | V916-L918 HydrophobicContact CG1-CD2 3.83Å; V916-V950 CarbonylContact C-O 3.36Å; V916-V950 VanDerWaalsContact CA-O 3.25Å; V916-V950 WeakPolarHBondContact CA-O 3.18Å; V916-V950 HydrophobicContact CG2-CB 4.01Å; V916-V950 HydrophobicContact CG2-CG1 4.4Å; V916-I952 HydrophobicContact CG1-CD1 3.9Å; V916-I952 HydrophobicContact CG1-CG1 4.05Å; V916-P988 HydrophobicContact CB-CB 4.45Å; V916-P988 HydrophobicContact CG2-CB 3.62Å; V916-P988 HydrophobicContact CG2-CG 3.94Å; V916-G990 PolarHBondContact N-O 3.18Å; V916-V991 HydrophobicContact CB-CG1 4.43Å; V916-V991 HydrophobicContact CB-CG2 4.23Å; V916-V991 HydrophobicContact CG1-CG1 4.21Å; V916-V991 CarbonylContact O-C 3.59Å; V916-V991 WeakPolarHBondContact O-CA 3.34Å; V916-I992 PolarHBondContact O-N 3.22Å |
| 917 | V | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.8 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | A935 L939 L942 V950 M951 I952 I992 | V917-A935 HydrophobicContact CG1-CB 4.39Å; V917-L939 HydrophobicContact CB-CD2 4.23Å; V917-L939 HydrophobicContact CG2-CD2 3.83Å; V917-L939 HydrophobicContact CG2-CG 4.5Å; V917-L942 HydrophobicContact CG2-CD1 3.72Å; V917-V950 PolarHBondContact N-O 3.02Å; V917-M951 WeakPolarHBondContact O-CA 3.33Å; V917-I952 PolarHBondContact O-N 3.12Å; V917-I992 HydrophobicContact CG2-CB 4.43Å; V917-I992 HydrophobicContact CG2-CD1 4.38Å |
| 918 | L | 95.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125 | 173.1 | -56 | -165.3 | 0 | 0 | 0 | 110 | V916 I952 I974 V979 V991 I992 L993 P1000 V1003 | V916-L918 HydrophobicContact CG1-CD2 3.83Å; L918-I952 HydrophobicContact CD2-CB 3.91Å; L918-I952 HydrophobicContact CD2-CD1 3.81Å; L918-I952 HydrophobicContact CD2-CG1 4.06Å; L918-I974 HydrophobicContact CB-CG2 4.39Å; L918-I974 HydrophobicContact CD1-CG2 4.06Å; L918-V979 HydrophobicContact CD1-CG1 4.44Å; L918-V979 HydrophobicContact CD1-CG2 3.89Å; L918-V979 HydrophobicContact CD2-CG1 4.44Å; L918-V979 HydrophobicContact CD2-CG2 3.92Å; L918-V991 HydrophobicContact CD1-CG1 4.31Å; L918-V991 HydrophobicContact CD2-CG1 4.26Å; L918-V991 HydrophobicContact CG-CG1 3.96Å; L918-I992 PolarHBondContact N-O 3.48Å; L918-I992 VanDerWaalsContact N-O 3.11Å; L918-L993 HydrophobicContact CB-CD2 4.43Å; L918-L993 HydrophobicContact CD1-CD2 3.21Å; L918-L993 HydrophobicContact CG-CD2 3.74Å; L918-P1000 HydrophobicContact CB-CB 3.92Å; L918-P1000 HydrophobicContact CB-CG 3.81Å; L918-P1000 HydrophobicContact CD1-CB 4.14Å; L918-V1003 HydrophobicContact CD1-CG2 4.3Å |
| 919 | G | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -71.8 | -174.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | G921 I952 I974 P1000 | G919-G921 VanDerWaalsContact C-N 3.33Å; G919-I952 PolarHBondContact N-O 3.39Å; G919-I974 WeakPolarHBondContact O-CD1 3.44Å; G919-P1000 VanDerWaalsContact O-CG 3.26Å; G919-P1000 WeakPolarHBondContact O-CG 3.42Å | ||
| 920 | S | 88.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -77.6 | -18.7 | 180 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | D932 G996 | S920-D932 PolarHBondContact OG-OD1 3.01Å; S920-D932 PolarHBondContact OG-OD2 3.26Å; S920-G996 WeakPolarHBondContact CA-O 3.19Å | ||
| 921 | G | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | 64.7 | -161.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G919 N953 N955 | G919-G921 VanDerWaalsContact C-N 3.33Å; G921-N953 WeakPolarHBondContact CA-OD1 3.43Å; G921-N953 PolarHBondContact N-OD1 2.95Å; G921-N953 VanDerWaalsContact N-OD1 3.14Å; G921-N955 WeakPolarHBondContact O-CB 3.2Å | ||
| 922 | V | 90 | Very high | 90.4 | Very high | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.042 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -62.9 | 142.1 | -173.6 | 172.1 | 0 | 0 | 0 | 0 | 112.9 | R716 E738 S739 M756 | R716-V922 HydrophobicContact CB-CG1 3.74Å; R716-V922 HydrophobicContact CG-CG1 3.99Å; E738-V922 WeakPolarHBondContact O-CG1 3.34Å; E738-V922 WeakPolarHBondContact O-CG2 3.19Å; S739-V922 VanDerWaalsContact CB-CG2 3.47Å; M756-V922 HydrophobicContact CB-CG2 4.36Å; M756-V922 WeakPolarHBondContact O-CG2 3.39Å |
| 923 | Y | 88.5 | Confident | 90.2 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 2% | 0.024 | 5% | 0.054 | C | C | . | . | trans | -65.5 | 133.2 | 176.8 | -71.9 | -10.2 | 0 | 0 | 0 | 113.3 | R716 S927 S928 V929 D932 N955 E957 T958 | R716-Y923 VanDerWaalsContact CG-O 3.25Å; R716-Y923 WeakPolarHBondContact CG-O 3.44Å; Y923-S927 WeakPolarHBondContact CA-O 2.61Å; Y923-S928 VanDerWaalsContact CD1-CA 3.47Å; Y923-S928 VanDerWaalsContact CE1-CA 3.41Å; Y923-V929 HydrophobicContact CE2-CG1 4.22Å; Y923-V929 WeakPolarHBondContact OH-CA 3.03Å; Y923-V929 WeakPolarHBondContact OH-CB 3.23Å; Y923-V929 WeakPolarHBondContact OH-CG1 3.41Å; Y923-V929 PolarHBondContact OH-N 3.44Å; Y923-V929 VanDerWaalsContact OH-N 3.16Å; Y923-D932 WeakPolarHBondContact CE1-OD2 3.18Å; Y923-D932 PolarHBondContact OH-OD2 3.02Å; Y923-N955 WeakPolarHBondContact CD1-ND2 3.38Å; Y923-N955 WeakPolarHBondContact CE1-ND2 3.43Å; Y923-E957 HydrophobicContact CD2-CB 4.44Å; Y923-E957 HydrophobicContact CE2-CB 3.93Å; Y923-T958 HydrophobicContact CE1-CG2 4.25Å; Y923-T958 HydrophobicContact CE2-CG2 4.43Å; Y923-T958 WeakPolarHBondContact OH-CG2 3.45Å | ||
| 924 | K | 88.1 | Confident | 90.2 | Very high | 33 Ų | 33 | 6.2 Ų | 6.2 | 14% | 0.143 | 3% | 0.034 | C | C | . | . | B | Isolated β-bridge | trans | -146.2 | 162.5 | 173.5 | 52.2 | -173.3 | 162.3 | -173.4 | 0 | 110 | I736 G926 S927 L1076 | I736-K924 VanDerWaalsContact CD1-CA 3.48Å; I736-K924 HydrophobicContact CD1-CB 4.27Å; K924-G926 PolarHBondContact O-N 2.89Å; K924-S927 PolarHBondContact N-O 3.05Å; K924-S927 CarbonylContact O-C 3.52Å; K924-S927 PolarHBondContact O-N 2.94Å; K924-L1076 HydrophobicContact CD-CD2 4.49Å |
| 925 | I | 86.3 | Confident | 90.1 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.01 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 116 | 176.1 | -68.6 | 167.4 | 0 | 0 | 0 | 106.6 | D718 K721 F722 I736 S1077 M1265 S1267 T1268 | D718-I925 HydrophobicContact CB-CD1 3.94Å; D718-I925 HydrophobicContact CB-CG1 4.36Å; D718-I925 VanDerWaalsContact OD2-CB 3.27Å; D718-I925 WeakPolarHBondContact OD2-CB 3.48Å; D718-I925 PolarHBondContact OD2-N 3.3Å; K721-I925 HydrophobicContact CD-CB 4.27Å; K721-I925 HydrophobicContact CD-CD1 4.33Å; K721-I925 HydrophobicContact CD-CG2 4.39Å; K721-I925 PolarHBondContact NZ-O 3.42Å; F722-I925 HydrophobicContact CE2-CD1 3.61Å; F722-I925 HydrophobicContact CZ-CD1 3.65Å; I736-I925 HydrophobicContact CD1-CG1 3.88Å; I736-I925 VanDerWaalsContact CD1-N 3.33Å; I925-S1077 WeakPolarHBondContact O-CB 3.44Å; I925-S1077 PolarHBondContact O-OG 2.93Å; I925-M1265 HydrophobicContact CG2-CB 3.89Å; I925-M1265 HydrophobicContact CG2-CE 4.27Å; I925-M1265 HydrophobicContact CG2-CG 3.8Å; I925-M1265 VanDerWaalsContact CG2-O 3.26Å; I925-M1265 WeakPolarHBondContact CG2-O 3.4Å; I925-M1265 HydrophobicContact CG2-SD 4.09Å; I925-S1267 WeakPolarHBondContact CG2-O 3.3Å; I925-T1268 HydrophobicContact CD1-CG2 4.37Å; I925-T1268 HydrophobicContact CG1-CG2 4.08Å |
| 926 | G | 82.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 4.9 Ų | 4.9 | 5% | 0.052 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108 | -18.2 | -172 | 0 | 0 | 0 | 0 | 0 | 116.6 | K924 S1077 R1204 M1265 | K924-G926 PolarHBondContact O-N 2.89Å; G926-S1077 VanDerWaalsContact CA-OG 3.3Å; G926-S1077 WeakPolarHBondContact CA-OG 3.35Å; G926-R1204 VanDerWaalsContact C-NE 3.29Å; G926-R1204 VanDerWaalsContact CA-NH2 3.32Å; G926-R1204 VanDerWaalsContact N-NH2 3.14Å; G926-R1204 PolarHBondContact O-NE 2.96Å; G926-M1265 WeakPolarHBondContact CA-SD 3.42Å; G926-M1265 PolarHBondContact N-SD 3.18Å |
| 927 | S | 85.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 5 Ų | 5 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | B | Isolated β-bridge | trans | -137.9 | 113.5 | 172 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | Y923 K924 F931 | Y923-S927 WeakPolarHBondContact CA-O 2.61Å; K924-S927 PolarHBondContact N-O 3.05Å; K924-S927 CarbonylContact O-C 3.52Å; K924-S927 PolarHBondContact O-N 2.94Å; S927-F931 WeakPolarHBondContact OG-CD2 3.48Å |
| 928 | S | 84.7 | Confident | 89.3 | Confident | 14 Ų | 14 | 5 Ų | 5 | 10% | 0.098 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -144.1 | -151.9 | 178.6 | -165 | 0 | 0 | 0 | 0 | 111.5 | Y923 E930 F931 | Y923-S928 VanDerWaalsContact CD1-CA 3.47Å; Y923-S928 VanDerWaalsContact CE1-CA 3.41Å; S928-E930 VanDerWaalsContact CA-OE2 3.3Å; S928-E930 WeakPolarHBondContact CA-OE2 3.44Å; S928-E930 VanDerWaalsContact CB-OE2 3.28Å; S928-E930 WeakPolarHBondContact CB-OE2 3.4Å; S928-E930 PolarHBondContact N-OE2 3.02Å; S928-E930 PolarHBondContact O-N 2.6Å; S928-F931 PolarHBondContact O-N 3.07Å |
| 929 | V | 86.3 | Confident | 89.2 | Confident | 17 Ų | 17 | 5 Ų | 5 | 10% | 0.103 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -47.5 | -25.4 | -177.1 | -75.3 | 0 | 0 | 0 | 0 | 114.3 | A413 Y923 F931 D932 C933 | A413-V929 HydrophobicContact CB-CB 4.35Å; A413-V929 HydrophobicContact CB-CG2 3.51Å; Y923-V929 HydrophobicContact CE2-CG1 4.22Å; Y923-V929 WeakPolarHBondContact OH-CA 3.03Å; Y923-V929 WeakPolarHBondContact OH-CB 3.23Å; Y923-V929 WeakPolarHBondContact OH-CG1 3.41Å; Y923-V929 PolarHBondContact OH-N 3.44Å; Y923-V929 VanDerWaalsContact OH-N 3.16Å; V929-F931 PolarHBondContact O-N 3.18Å; V929-D932 PolarHBondContact O-N 3.13Å; V929-C933 PolarHBondContact O-N 2.69Å |
| 930 | E | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | -176.9 | -51.5 | 84.1 | 164.4 | 0 | 0 | 111.8 | A413 S928 C933 C934 R1204 P1207 | A413-E930 HydrophobicContact CB-CB 4.28Å; A413-E930 HydrophobicContact CB-CG 3.64Å; S928-E930 VanDerWaalsContact CA-OE2 3.3Å; S928-E930 WeakPolarHBondContact CA-OE2 3.44Å; S928-E930 VanDerWaalsContact CB-OE2 3.28Å; S928-E930 WeakPolarHBondContact CB-OE2 3.4Å; S928-E930 PolarHBondContact N-OE2 3.02Å; S928-E930 PolarHBondContact O-N 2.6Å; E930-C933 PolarHBondContact O-N 3.48Å; E930-C934 PolarHBondContact O-N 3.02Å; E930-C934 VanDerWaalsContact O-N 3.08Å; E930-C934 PolarHBondContact O-SG 3.43Å; E930-R1204 HydrophobicContact CB-CB 4.32Å; E930-R1204 HydrophobicContact CB-CG 4.2Å; E930-R1204 HydrophobicContact CG-CB 3.89Å; E930-R1204 HydrophobicContact CG-CG 3.89Å; E930-R1204 IonicContact OE1-CZ 2.77Å; E930-R1204 VanDerWaalsContact OE1-CZ 3.27Å; E930-R1204 IonicContact OE1-NE 2.7Å; E930-R1204 IonicContact OE1-NH1 3.13Å; E930-R1204 PolarHBondContact OE1-NH1 3.42Å; E930-R1204 IonicContact OE2-CZ 2.91Å; E930-R1204 IonicContact OE2-NE 2.75Å; E930-R1204 IonicContact OE2-NH1 2.94Å; E930-R1204 IonicContact OE2-NH2 3.97Å; E930-P1207 HydrophobicContact CB-CG 4.13Å |
| 931 | F | 91 | Very high | 89.4 | Confident | 4 Ų | 4 | 9.9 Ų | 9.9 | 2% | 0.018 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -75.1 | -30.3 | -178.6 | -65.4 | -64.1 | 0 | 0 | 0 | 112 | S927 S928 V929 C934 A935 A1202 R1204 | S927-F931 WeakPolarHBondContact OG-CD2 3.48Å; S928-F931 PolarHBondContact O-N 3.07Å; V929-F931 PolarHBondContact O-N 3.18Å; F931-C934 WeakPolarHBondContact O-CB 3.22Å; F931-C934 PolarHBondContact O-N 2.86Å; F931-A935 WeakPolarHBondContact O-CB 3.34Å; F931-A935 PolarHBondContact O-N 3.19Å; F931-A1202 WeakPolarHBondContact CE1-O 3.22Å; F931-R1204 HydrophobicContact CE2-CG 4.03Å; F931-R1204 HydrophobicContact CZ-CG 4.11Å |
| 932 | D | 87.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 171.7 | -74.7 | -42.5 | 0 | 0 | 0 | 111.3 | S920 Y923 V929 C934 A935 V936 N953 N955 T958 V959 | S920-D932 PolarHBondContact OG-OD1 3.01Å; S920-D932 PolarHBondContact OG-OD2 3.26Å; Y923-D932 WeakPolarHBondContact CE1-OD2 3.18Å; Y923-D932 PolarHBondContact OH-OD2 3.02Å; V929-D932 PolarHBondContact O-N 3.13Å; D932-C934 VanDerWaalsContact C-N 3.3Å; D932-C934 PolarHBondContact O-N 2.98Å; D932-A935 PolarHBondContact O-N 3.38Å; D932-V936 WeakPolarHBondContact O-CG2 3.43Å; D932-V936 PolarHBondContact O-N 3.45Å; D932-N953 PolarHBondContact OD1-ND2 2.94Å; D932-N955 PolarHBondContact OD2-ND2 2.75Å; D932-T958 HydrophobicContact CB-CG2 3.94Å; D932-T958 VanDerWaalsContact CG-CB 3.46Å; D932-T958 PolarHBondContact OD1-OG1 2.95Å; D932-T958 WeakPolarHBondContact OD2-CB 3.48Å; D932-T958 WeakPolarHBondContact OD2-CG2 3.33Å; D932-T958 PolarHBondContact OD2-OG1 2.9Å; D932-V959 HydrophobicContact CB-CG2 4.15Å |
| 933 | C | 87.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 15.7 Ų | 15.7 | 5% | 0.054 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 171.1 | 179.7 | 0 | 0 | 0 | 0 | 112 | A413 V415 M418 V929 E930 G937 P1207 | A413-C933 WeakPolarHBondContact O-CB 3.36Å; V415-C933 HydrophobicContact CG2-CB 4.42Å; M418-C933 VanDerWaalsContact SD-SG 3.61Å; V929-C933 PolarHBondContact O-N 2.69Å; E930-C933 PolarHBondContact O-N 3.48Å; C933-G937 PolarHBondContact O-N 3.02Å; C933-P1207 HydrophobicContact CB-CG 4.2Å |
| 934 | C | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.6 | -62 | 0 | 0 | 0 | 0 | 112.3 | E930 F931 D932 G937 C938 M995 A1202 I1218 | E930-C934 PolarHBondContact O-N 3.02Å; E930-C934 VanDerWaalsContact O-N 3.08Å; E930-C934 PolarHBondContact O-SG 3.43Å; F931-C934 WeakPolarHBondContact O-CB 3.22Å; F931-C934 PolarHBondContact O-N 2.86Å; D932-C934 VanDerWaalsContact C-N 3.3Å; D932-C934 PolarHBondContact O-N 2.98Å; C934-G937 PolarHBondContact O-N 3.11Å; C934-C938 WeakPolarHBondContact O-CB 3.21Å; C934-C938 PolarHBondContact O-N 3.43Å; C934-M995 HydrophobicContact CB-CB 4.41Å; C934-A1202 HydrophobicContact CB-CB 4.17Å; C934-I1218 HydrophobicContact CB-CD1 3.79Å; C934-I1218 HydrophobicContact CB-CG1 4.31Å; C934-I1218 VanDerWaalsContact O-CG2 3.28Å; C934-I1218 WeakPolarHBondContact O-CG2 3.37Å |
| 935 | A | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V917 F931 D932 C938 L939 M951 | V917-A935 HydrophobicContact CG1-CB 4.39Å; F931-A935 WeakPolarHBondContact O-CB 3.34Å; F931-A935 PolarHBondContact O-N 3.19Å; D932-A935 PolarHBondContact O-N 3.38Å; A935-C938 WeakPolarHBondContact O-CB 3.34Å; A935-C938 PolarHBondContact O-N 3.23Å; A935-L939 WeakPolarHBondContact O-CG 3.13Å; A935-L939 PolarHBondContact O-N 3.41Å; A935-M951 HydrophobicContact CB-CE 3.85Å |
| 936 | V | 89.4 | Confident | 90.2 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176 | 175 | 0 | 0 | 0 | 0 | 111.7 | V415 M418 D932 C938 L939 Q940 V959 M965 | V415-V936 HydrophobicContact CG1-CB 4.49Å; V415-V936 HydrophobicContact CG1-CG1 3.96Å; V415-V936 HydrophobicContact CG2-CB 4.25Å; V415-V936 HydrophobicContact CG2-CG2 3.95Å; M418-V936 HydrophobicContact SD-CG1 4.49Å; D932-V936 WeakPolarHBondContact O-CG2 3.43Å; D932-V936 PolarHBondContact O-N 3.45Å; V936-C938 PolarHBondContact O-N 2.88Å; V936-L939 PolarHBondContact O-N 2.85Å; V936-L939 VanDerWaalsContact O-N 3.12Å; V936-Q940 HydrophobicContact CG1-CG 4.34Å; V936-Q940 WeakPolarHBondContact O-CG 3.41Å; V936-Q940 PolarHBondContact O-N 2.91Å; V936-V959 HydrophobicContact CG2-CB 4.12Å; V936-V959 HydrophobicContact CG2-CG1 3.79Å; V936-V959 HydrophobicContact CG2-CG2 3.28Å; V936-M965 HydrophobicContact CG1-SD 4.44Å |
| 937 | G | 91 | Very high | 90.8 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C933 C934 E941 | C933-G937 PolarHBondContact O-N 3.02Å; C934-G937 PolarHBondContact O-N 3.11Å; G937-E941 PolarHBondContact O-N 3.17Å; G937-E941 VanDerWaalsContact O-N 3.09Å |
| 938 | C | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 173.4 | -176 | 0 | 0 | 0 | 0 | 112.2 | C934 A935 V936 E941 L942 M995 I1218 T1222 | C934-C938 WeakPolarHBondContact O-CB 3.21Å; C934-C938 PolarHBondContact O-N 3.43Å; A935-C938 WeakPolarHBondContact O-CB 3.34Å; A935-C938 PolarHBondContact O-N 3.23Å; V936-C938 PolarHBondContact O-N 2.88Å; C938-E941 PolarHBondContact O-N 2.64Å; C938-L942 WeakPolarHBondContact O-CB 3.47Å; C938-L942 WeakPolarHBondContact O-CD1 3.38Å; C938-L942 WeakPolarHBondContact O-CG 3.34Å; C938-L942 PolarHBondContact O-N 3.18Å; C938-M995 HydrophobicContact CB-CE 4.14Å; C938-M995 HydrophobicContact CB-CG 3.83Å; C938-M995 HydrophobicContact CB-SD 4.43Å; C938-I1218 HydrophobicContact CB-CG2 4.38Å; C938-T1222 WeakPolarHBondContact CA-OG1 3.28Å |
| 939 | L | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177.5 | -72 | 170.6 | 0 | 0 | 0 | 112.1 | V917 A935 V936 L942 K943 T949 M951 V959 M965 C966 | V917-L939 HydrophobicContact CB-CD2 4.23Å; V917-L939 HydrophobicContact CG2-CD2 3.83Å; V917-L939 HydrophobicContact CG2-CG 4.5Å; A935-L939 WeakPolarHBondContact O-CG 3.13Å; A935-L939 PolarHBondContact O-N 3.41Å; V936-L939 PolarHBondContact O-N 2.85Å; V936-L939 VanDerWaalsContact O-N 3.12Å; L939-L942 PolarHBondContact O-N 3.08Å; L939-K943 WeakPolarHBondContact O-CB 3.46Å; L939-K943 PolarHBondContact O-N 3.15Å; L939-T949 HydrophobicContact CD2-CG2 4.13Å; L939-M951 HydrophobicContact CD1-CB 4.35Å; L939-M951 HydrophobicContact CD1-SD 3.82Å; L939-V959 HydrophobicContact CD1-CG1 4.36Å; L939-M965 HydrophobicContact CD1-CB 4.48Å; L939-C966 HydrophobicContact CD1-CB 4.09Å; L939-C966 HydrophobicContact CD2-CB 3.89Å |
| 940 | Q | 90.2 | Very high | 92.2 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 177.2 | -72.6 | 179.2 | -22.9 | 0 | 0 | 111.5 | V936 K943 S944 | V936-Q940 HydrophobicContact CG1-CG 4.34Å; V936-Q940 WeakPolarHBondContact O-CG 3.41Å; V936-Q940 PolarHBondContact O-N 2.91Å; Q940-K943 PolarHBondContact O-N 3.42Å; Q940-S944 PolarHBondContact O-N 3.29Å; Q940-S944 PolarHBondContact O-OG 3.33Å |
| 941 | E | 94.1 | Very high | 92.4 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 178.1 | -174.6 | 68.6 | -165.2 | 0 | 0 | 112.1 | G937 C938 K943 S944 A945 A1219 T1222 R1223 | G937-E941 PolarHBondContact O-N 3.17Å; G937-E941 VanDerWaalsContact O-N 3.09Å; C938-E941 PolarHBondContact O-N 2.64Å; E941-K943 VanDerWaalsContact C-N 3.34Å; E941-K943 PolarHBondContact O-N 2.68Å; E941-S944 PolarHBondContact O-N 3.42Å; E941-A945 WeakPolarHBondContact O-CB 3.47Å; E941-A945 PolarHBondContact O-N 3.45Å; E941-A1219 HydrophobicContact CG-CB 4.32Å; E941-A1219 WeakPolarHBondContact OE2-CB 3.44Å; E941-T1222 HydrophobicContact CB-CG2 3.89Å; E941-T1222 HydrophobicContact CG-CG2 3.86Å; E941-R1223 HydrophobicContact CG-CG 4.24Å; E941-R1223 WeakPolarHBondContact OE1-CD 3.48Å; E941-R1223 WeakPolarHBondContact OE1-CG 3.49Å; E941-R1223 IonicContact OE1-CZ 3.97Å; E941-R1223 IonicContact OE1-NE 3.38Å; E941-R1223 IonicContact OE1-NH1 2.67Å; E941-R1223 PolarHBondContact OE1-NH1 3.32Å; E941-R1223 IonicContact OE2-NH1 3.96Å; E941-R1223 PolarHBondContact OE2-NH1 3.08Å |
| 942 | L | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 172.9 | -76.2 | 165.8 | 0 | 0 | 0 | 111.3 | H915 V917 C938 L939 A945 G946 C947 T949 I992 T1222 L1226 | H915-L942 HydrophobicContact CB-CD1 4.44Å; H915-L942 HydrophobicContact CB-CD2 4.32Å; V917-L942 HydrophobicContact CG2-CD1 3.72Å; C938-L942 WeakPolarHBondContact O-CB 3.47Å; C938-L942 WeakPolarHBondContact O-CD1 3.38Å; C938-L942 WeakPolarHBondContact O-CG 3.34Å; C938-L942 PolarHBondContact O-N 3.18Å; L939-L942 PolarHBondContact O-N 3.08Å; L942-A945 CarbonylContact O-C 3.46Å; L942-A945 WeakPolarHBondContact O-CB 3.41Å; L942-A945 PolarHBondContact O-N 2.88Å; L942-A945 VanDerWaalsContact O-N 3.16Å; L942-G946 PolarHBondContact O-N 3.1Å; L942-C947 HydrophobicContact CB-CB 4.14Å; L942-C947 HydrophobicContact CD2-CB 4.06Å; L942-C947 VanDerWaalsContact O-CB 3.3Å; L942-C947 WeakPolarHBondContact O-CB 3.48Å; L942-C947 PolarHBondContact O-N 3.17Å; L942-T949 HydrophobicContact CB-CG2 3.59Å; L942-T949 HydrophobicContact CD1-CG2 3.93Å; L942-T949 HydrophobicContact CG-CG2 4.36Å; L942-I992 HydrophobicContact CD1-CD1 4.03Å; L942-I992 HydrophobicContact CD2-CD1 4.31Å; L942-T1222 HydrophobicContact CD2-CG2 4.27Å; L942-T1222 HydrophobicContact CG-CG2 3.97Å; L942-L1226 HydrophobicContact CD2-CD1 4.04Å; L942-L1226 HydrophobicContact CD2-CD2 3.73Å; L942-L1226 HydrophobicContact CD2-CG 4.16Å |
| 943 | K | 91.4 | Very high | 92.9 | Very high | 129 Ų | 129 | 30.1 Ų | 30.1 | 56% | 0.561 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.5 | -42.8 | 177 | -172.4 | 173.7 | -175.6 | 170.9 | 0 | 111.5 | L939 Q940 E941 A945 G946 | L939-K943 WeakPolarHBondContact O-CB 3.46Å; L939-K943 PolarHBondContact O-N 3.15Å; Q940-K943 PolarHBondContact O-N 3.42Å; E941-K943 VanDerWaalsContact C-N 3.34Å; E941-K943 PolarHBondContact O-N 2.68Å; K943-A945 PolarHBondContact O-N 3.13Å; K943-G946 PolarHBondContact O-N 3.23Å |
| 944 | S | 88.5 | Confident | 93 | Very high | 101 Ų | 101 | 29.9 Ų | 29.9 | 71% | 0.706 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -63.1 | -28.7 | 173.8 | -68 | 0 | 0 | 0 | 0 | 113.1 | Q940 E941 G946 | Q940-S944 PolarHBondContact O-N 3.29Å; Q940-S944 PolarHBondContact O-OG 3.33Å; E941-S944 PolarHBondContact O-N 3.42Å; S944-G946 VanDerWaalsContact C-N 3.25Å; S944-G946 PolarHBondContact O-N 3.16Å |
| 945 | A | 92.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 33% | 0.331 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 0.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E941 L942 K943 C947 L1226 | E941-A945 WeakPolarHBondContact O-CB 3.47Å; E941-A945 PolarHBondContact O-N 3.45Å; L942-A945 CarbonylContact O-C 3.46Å; L942-A945 WeakPolarHBondContact O-CB 3.41Å; L942-A945 PolarHBondContact O-N 2.88Å; L942-A945 VanDerWaalsContact O-N 3.16Å; K943-A945 PolarHBondContact O-N 3.13Å; A945-C947 VanDerWaalsContact C-N 3.31Å; A945-C947 PolarHBondContact O-N 3.08Å; A945-L1226 HydrophobicContact CB-CD1 3.88Å |
| 946 | G | 92 | Very high | 92.1 | Very high | 68 Ų | 68 | 30 Ų | 30 | 70% | 0.701 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | 15.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L942 K943 S944 | L942-G946 PolarHBondContact O-N 3.1Å; K943-G946 PolarHBondContact O-N 3.23Å; S944-G946 VanDerWaalsContact C-N 3.25Å; S944-G946 PolarHBondContact O-N 3.16Å |
| 947 | C | 95.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | trans | -79.4 | 141.7 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.4 | L942 A945 | L942-C947 HydrophobicContact CB-CB 4.14Å; L942-C947 HydrophobicContact CD2-CB 4.06Å; L942-C947 VanDerWaalsContact O-CB 3.3Å; L942-C947 WeakPolarHBondContact O-CB 3.48Å; L942-C947 PolarHBondContact O-N 3.17Å; A945-C947 VanDerWaalsContact C-N 3.31Å; A945-C947 PolarHBondContact O-N 3.08Å | ||
| 948 | R | 95.6 | Very high | 89.8 | Confident | 155 Ų | 155 | 31 Ų | 31 | 59% | 0.585 | 18% | 0.176 | S | C | * | . | trans | -80.5 | 137.9 | 166.4 | -69 | 178.5 | 179.2 | -177.4 | 0.5 | 109.8 | L911 S914 H915 D967 | L911-R948 HydrophobicContact CD2-CB 3.99Å; L911-R948 HydrophobicContact CG-CB 4.32Å; S914-R948 CarbonylContact C-O 3.48Å; S914-R948 WeakPolarHBondContact CA-O 3.37Å; H915-R948 PolarHBondContact N-O 3.13Å; H915-R948 PolarHBondContact ND1-O 3.16Å; R948-D967 WeakPolarHBondContact CA-OD2 3.16Å | ||
| 949 | T | 95.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.3 | -165.4 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | H915 L939 L942 C966 D967 M968 | H915-T949 WeakPolarHBondContact O-CA 3.47Å; L939-T949 HydrophobicContact CD2-CG2 4.13Å; L942-T949 HydrophobicContact CB-CG2 3.59Å; L942-T949 HydrophobicContact CD1-CG2 3.93Å; L942-T949 HydrophobicContact CG-CG2 4.36Å; T949-C966 WeakPolarHBondContact OG1-CA 3.43Å; T949-D967 PolarHBondContact N-OD2 2.91Å; T949-D967 WeakPolarHBondContact O-CA 3.14Å; T949-D967 WeakPolarHBondContact O-CB 3.45Å; T949-D967 PolarHBondContact O-N 2.64Å; T949-D967 PolarHBondContact OG1-N 3.29Å; T949-D967 VanDerWaalsContact OG1-N 3.12Å; T949-D967 PolarHBondContact OG1-OD2 3.31Å; T949-M968 PolarHBondContact O-N 2.89Å; T949-M968 VanDerWaalsContact O-N 3.14Å |
| 950 | V | 95.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131 | 170.1 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | L911 S914 H915 V916 V917 M968 F986 | L911-V950 HydrophobicContact CB-CG2 4.49Å; L911-V950 HydrophobicContact CD2-CG2 4.34Å; S914-V950 WeakPolarHBondContact OG-CG2 3.34Å; H915-V950 PolarHBondContact O-N 3.21Å; V916-V950 CarbonylContact C-O 3.36Å; V916-V950 VanDerWaalsContact CA-O 3.25Å; V916-V950 WeakPolarHBondContact CA-O 3.18Å; V916-V950 HydrophobicContact CG2-CB 4.01Å; V916-V950 HydrophobicContact CG2-CG1 4.4Å; V917-V950 PolarHBondContact N-O 3.02Å; V950-M968 CarbonylContact C-O 3.37Å; V950-M968 VanDerWaalsContact CA-O 3.22Å; V950-M968 WeakPolarHBondContact CA-O 3.06Å; V950-M968 HydrophobicContact CG1-CB 4.4Å; V950-M968 HydrophobicContact CG2-CB 4.19Å; V950-F986 HydrophobicContact CG1-CD2 4.1Å; V950-F986 HydrophobicContact CG1-CE2 3.9Å; V950-F986 HydrophobicContact CG1-CZ 4.32Å; V950-F986 HydrophobicContact CG2-CD1 4.47Å; V950-F986 HydrophobicContact CG2-CG 4.42Å |
| 951 | M | 94.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.7 | 171.7 | -173.3 | 176.4 | -169.2 | 0 | 0 | 110.4 | V917 A935 L939 N953 V959 C966 M968 L969 L970 | V917-M951 WeakPolarHBondContact O-CA 3.33Å; A935-M951 HydrophobicContact CB-CE 3.85Å; L939-M951 HydrophobicContact CD1-CB 4.35Å; L939-M951 HydrophobicContact CD1-SD 3.82Å; M951-N953 HydrophobicContact CE-CB 4.11Å; M951-V959 HydrophobicContact CE-CB 4.01Å; M951-V959 HydrophobicContact CE-CG1 4.29Å; M951-V959 HydrophobicContact CE-CG2 3.86Å; M951-V959 HydrophobicContact SD-CB 3.76Å; M951-V959 HydrophobicContact SD-CG1 3.46Å; M951-V959 WeakPolarHBondContact SD-CG1 3.47Å; M951-V959 HydrophobicContact SD-CG2 4.17Å; M951-C966 HydrophobicContact CB-CB 4.34Å; M951-M968 PolarHBondContact N-O 3.32Å; M951-L969 HydrophobicContact CB-CD1 3.9Å; M951-L969 HydrophobicContact CG-CD1 4.06Å; M951-L969 HydrophobicContact SD-CD1 4.31Å; M951-L970 PolarHBondContact O-N 2.94Å |
| 952 | I | 95.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.1 | 168.6 | -49.3 | -178.5 | 0 | 0 | 0 | 108.6 | V916 V917 L918 G919 L970 V978 V979 A982 | V916-I952 HydrophobicContact CG1-CD1 3.9Å; V916-I952 HydrophobicContact CG1-CG1 4.05Å; V917-I952 PolarHBondContact O-N 3.12Å; L918-I952 HydrophobicContact CD2-CB 3.91Å; L918-I952 HydrophobicContact CD2-CD1 3.81Å; L918-I952 HydrophobicContact CD2-CG1 4.06Å; G919-I952 PolarHBondContact N-O 3.39Å; I952-L970 WeakPolarHBondContact CA-O 3Å; I952-L970 HydrophobicContact CD1-CD2 4.21Å; I952-L970 HydrophobicContact CG1-CB 4.33Å; I952-L970 HydrophobicContact CG1-CD2 4.2Å; I952-L970 HydrophobicContact CG2-CD2 4.4Å; I952-V978 HydrophobicContact CG2-CG1 4.5Å; I952-V979 HydrophobicContact CD1-CG2 4.31Å; I952-A982 HydrophobicContact CD1-CB 3.59Å |
| 953 | N | 93 | Very high | 81.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 159.6 | 178.5 | -155.5 | -0.4 | 0 | 0 | 0 | 111.7 | G921 D932 M951 L970 F971 D972 | G921-N953 WeakPolarHBondContact CA-OD1 3.43Å; G921-N953 PolarHBondContact N-OD1 2.95Å; G921-N953 VanDerWaalsContact N-OD1 3.14Å; D932-N953 PolarHBondContact OD1-ND2 2.94Å; M951-N953 HydrophobicContact CE-CB 4.11Å; N953-L970 PolarHBondContact N-O 3.13Å; N953-L970 VanDerWaalsContact N-O 3.16Å; N953-F971 CarbonylContact O-C 3.37Å; N953-F971 WeakPolarHBondContact O-CA 3.32Å; N953-D972 CarbonylContact C-O 3.44Å; N953-D972 PolarHBondContact O-N 2.85Å; N953-D972 VanDerWaalsContact O-N 3.09Å |
| 954 | C | 90.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | trans | -130.3 | 9.6 | 177 | 61.7 | 0 | 0 | 0 | 0 | 114 | M756 P956 F971 D972 | M756-C954 HydrophobicContact CB-CB 4.34Å; M756-C954 HydrophobicContact CE-CB 4.16Å; M756-C954 HydrophobicContact CG-CB 3.87Å; M756-C954 HydrophobicContact SD-CB 3.74Å; C954-P956 WeakPolarHBondContact O-CD 3.41Å; C954-F971 WeakPolarHBondContact O-CZ 3.34Å; C954-D972 WeakPolarHBondContact CB-O 3.31Å | ||
| 955 | N | 86.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -89.6 | 115 | -177.5 | -176.2 | -2 | 0 | 0 | 0 | 112.2 | G921 Y923 D932 E957 T958 S960 | G921-N955 WeakPolarHBondContact O-CB 3.2Å; Y923-N955 WeakPolarHBondContact CD1-ND2 3.38Å; Y923-N955 WeakPolarHBondContact CE1-ND2 3.43Å; D932-N955 PolarHBondContact OD2-ND2 2.75Å; N955-E957 PolarHBondContact O-N 3.16Å; N955-E957 WeakPolarHBondContact OD1-CB 3.34Å; N955-E957 PolarHBondContact OD1-N 2.8Å; N955-T958 PolarHBondContact ND2-OG1 3.37Å; N955-S960 PolarHBondContact O-OG 3.39Å | ||
| 956 | P | 79.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 12.5 | 177.7 | 37.7 | -38.5 | 0 | 0 | 0 | 114.1 | L666 K669 E738 M740 C954 F971 | L666-P956 HydrophobicContact CD1-CB 4.36Å; K669-P956 VanDerWaalsContact CD-CA 3.49Å; K669-P956 HydrophobicContact CD-CB 3.89Å; K669-P956 WeakPolarHBondContact CD-O 3.49Å; K669-P956 WeakPolarHBondContact CE-O 3.23Å; K669-P956 PolarHBondContact NZ-O 3.09Å; E738-P956 HydrophobicContact CB-CG 4.47Å; E738-P956 HydrophobicContact CG-CG 3.49Å; E738-P956 VanDerWaalsContact CG-CG 3.49Å; E738-P956 VanDerWaalsContact O-CD 3.22Å; E738-P956 WeakPolarHBondContact O-CD 3.3Å; M740-P956 HydrophobicContact CB-CB 3.84Å; M740-P956 HydrophobicContact CB-CG 3.94Å; M740-P956 HydrophobicContact SD-CB 4.16Å; C954-P956 WeakPolarHBondContact O-CD 3.41Å; P956-F971 HydrophobicContact CB-CZ 4.43Å |
| 957 | E | 72.7 | Confident | 80.2 | Confident | 19 Ų | 19 | 20 Ų | 20 | 9% | 0.089 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -16.7 | 174.3 | -67.4 | -172.6 | -113.2 | 0 | 0 | 114.6 | S389 R662 G737 E738 Y923 N955 | S389-E957 VanDerWaalsContact CB-O 3.26Å; S389-E957 WeakPolarHBondContact CB-O 3.27Å; S389-E957 PolarHBondContact OG-O 3.24Å; R662-E957 IonicContact CZ-OE1 3.26Å; R662-E957 IonicContact CZ-OE2 3.9Å; R662-E957 IonicContact NE-OE2 2.71Å; R662-E957 PolarHBondContact NE-OE2 3.13Å; R662-E957 IonicContact NH2-OE1 3.12Å; R662-E957 PolarHBondContact NH2-OE1 3.32Å; R662-E957 IonicContact NH2-OE2 2.77Å; R662-E957 PolarHBondContact NH2-OE2 2.93Å; G737-E957 WeakPolarHBondContact CA-OE1 3.19Å; E738-E957 WeakPolarHBondContact OE1-CG 3.23Å; Y923-E957 HydrophobicContact CD2-CB 4.44Å; Y923-E957 HydrophobicContact CE2-CB 3.93Å; N955-E957 PolarHBondContact O-N 3.16Å; N955-E957 WeakPolarHBondContact OD1-CB 3.34Å; N955-E957 PolarHBondContact OD1-N 2.8Å |
| 958 | T | 59.9 | Low | 80.1 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -131.2 | -146.4 | -168.8 | 55 | 0 | 0 | 0 | 0 | 114.1 | K669 Y923 D932 N955 S960 T961 | K669-T958 VanDerWaalsContact NZ-N 3.16Å; K669-T958 PolarHBondContact NZ-O 3.11Å; Y923-T958 HydrophobicContact CE1-CG2 4.25Å; Y923-T958 HydrophobicContact CE2-CG2 4.43Å; Y923-T958 WeakPolarHBondContact OH-CG2 3.45Å; D932-T958 HydrophobicContact CB-CG2 3.94Å; D932-T958 VanDerWaalsContact CG-CB 3.46Å; D932-T958 PolarHBondContact OD1-OG1 2.95Å; D932-T958 WeakPolarHBondContact OD2-CB 3.48Å; D932-T958 WeakPolarHBondContact OD2-CG2 3.33Å; D932-T958 PolarHBondContact OD2-OG1 2.9Å; N955-T958 PolarHBondContact ND2-OG1 3.37Å; T958-S960 CarbonylContact O-C 3.48Å; T958-S960 VanDerWaalsContact O-CA 3.31Å; T958-S960 WeakPolarHBondContact O-CA 2.76Å; T958-S960 PolarHBondContact O-N 3.43Å; T958-S960 PolarHBondContact O-OG 3.13Å; T958-T961 PolarHBondContact O-N 3.36Å; T958-T961 PolarHBondContact O-OG1 3Å |
| 959 | V | 53.4 | Low | 80 | Confident | 5 Ų | 5 | 12 Ų | 12 | 3% | 0.03 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -30.8 | -35.9 | -163.2 | -167.4 | 0 | 0 | 0 | 0 | 115.1 | D932 V936 L939 M951 T961 D962 Y963 M965 | D932-V959 HydrophobicContact CB-CG2 4.15Å; V936-V959 HydrophobicContact CG2-CB 4.12Å; V936-V959 HydrophobicContact CG2-CG1 3.79Å; V936-V959 HydrophobicContact CG2-CG2 3.28Å; L939-V959 HydrophobicContact CD1-CG1 4.36Å; M951-V959 HydrophobicContact CE-CB 4.01Å; M951-V959 HydrophobicContact CE-CG1 4.29Å; M951-V959 HydrophobicContact CE-CG2 3.86Å; M951-V959 HydrophobicContact SD-CB 3.76Å; M951-V959 HydrophobicContact SD-CG1 3.46Å; M951-V959 WeakPolarHBondContact SD-CG1 3.47Å; M951-V959 HydrophobicContact SD-CG2 4.17Å; V959-T961 PolarHBondContact O-N 3.26Å; V959-T961 VanDerWaalsContact O-N 3.11Å; V959-D962 CarbonylContact O-C 3.56Å; V959-D962 VanDerWaalsContact O-CA 3.31Å; V959-D962 WeakPolarHBondContact O-CA 3.42Å; V959-D962 PolarHBondContact O-N 3.12Å; V959-Y963 PolarHBondContact O-N 2.73Å; V959-M965 HydrophobicContact CG1-CB 4.34Å |
| 960 | S | 49.7 | Very low | 80 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -49.4 | -18.9 | 161.1 | 58 | 0 | 0 | 0 | 0 | 118.3 | K669 N955 T958 L969 F971 | K669-S960 VanDerWaalsContact CE-OG 3.31Å; K669-S960 WeakPolarHBondContact CE-OG 3.47Å; K669-S960 PolarHBondContact NZ-OG 2.84Å; N955-S960 PolarHBondContact O-OG 3.39Å; T958-S960 CarbonylContact O-C 3.48Å; T958-S960 VanDerWaalsContact O-CA 3.31Å; T958-S960 WeakPolarHBondContact O-CA 2.76Å; T958-S960 PolarHBondContact O-N 3.43Å; T958-S960 PolarHBondContact O-OG 3.13Å; S960-L969 VanDerWaalsContact CA-CD2 3.5Å; S960-F971 WeakPolarHBondContact OG-CE2 3.1Å |
| 961 | T | 51.4 | Low | 79.9 | Confident | 8 Ų | 8 | 12.1 Ų | 12.1 | 5% | 0.049 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -70.9 | -43.6 | 166.1 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | Q393 T958 V959 Y963 | Q393-T961 PolarHBondContact NE2-O 3.2Å; T958-T961 PolarHBondContact O-N 3.36Å; T958-T961 PolarHBondContact O-OG1 3Å; V959-T961 PolarHBondContact O-N 3.26Å; V959-T961 VanDerWaalsContact O-N 3.11Å; T961-Y963 PolarHBondContact O-N 3.08Å |
| 962 | D | 66.2 | Low | 79.9 | Confident | 7 Ų | 7 | 12.2 Ų | 12.2 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -101.6 | 58.8 | 175.6 | -65.1 | -84 | 0 | 0 | 0 | 109.2 | A392 K396 V959 D964 M965 | A392-D962 WeakPolarHBondContact CB-OD2 3.33Å; K396-D962 WeakPolarHBondContact CE-OD1 3.37Å; K396-D962 IonicContact NZ-OD1 3.48Å; K396-D962 PolarHBondContact NZ-OD1 3.11Å; V959-D962 CarbonylContact O-C 3.56Å; V959-D962 VanDerWaalsContact O-CA 3.31Å; V959-D962 WeakPolarHBondContact O-CA 3.42Å; V959-D962 PolarHBondContact O-N 3.12Å; D962-D964 WeakPolarHBondContact CA-OD1 3.45Å; D962-D964 PolarHBondContact O-N 3.28Å; D962-M965 HydrophobicContact CB-CE 3.87Å; D962-M965 HydrophobicContact CB-CG 3.62Å; D962-M965 WeakPolarHBondContact O-CB 3.47Å; D962-M965 WeakPolarHBondContact O-CG 3.47Å; D962-M965 PolarHBondContact O-N 2.92Å |
| 963 | Y | 71.8 | Confident | 79.9 | Confident | 21 Ų | 21 | 13.3 Ų | 13.3 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -55.8 | -23.9 | -178.7 | 52.5 | -108.2 | 0 | 0 | 0 | 112.2 | G672 S694 N895 Y896 V959 T961 M965 | G672-Y963 PolarHBondContact O-OH 3.41Å; S694-Y963 PolarHBondContact OG-OH 2.79Å; N895-Y963 PolarHBondContact ND2-O 3.22Å; N895-Y963 WeakPolarHBondContact OD1-CD2 3.36Å; Y896-Y963 HydrophobicContact CD1-CD1 4.1Å; Y896-Y963 HydrophobicContact CD1-CG 4.49Å; Y896-Y963 HydrophobicContact CG-CD1 4.41Å; Y896-Y963 HydrophobicContact CG-CG 4.36Å; V959-Y963 PolarHBondContact O-N 2.73Å; T961-Y963 PolarHBondContact O-N 3.08Å; Y963-M965 PolarHBondContact O-N 3.07Å |
| 964 | D | 77.4 | Confident | 80 | Confident | 74 Ų | 74 | 13.6 Ų | 13.6 | 40% | 0.396 | 7% | 0.071 | S | C | . | . | G | 310 helix | trans | -69.6 | -3.8 | 174.6 | 68.6 | -29.4 | 0 | 0 | 0 | 115.4 | K396 D962 C966 | K396-D964 IonicContact NZ-OD1 2.76Å; K396-D964 PolarHBondContact NZ-OD1 3.17Å; K396-D964 IonicContact NZ-OD2 2.65Å; K396-D964 PolarHBondContact NZ-OD2 2.74Å; D962-D964 WeakPolarHBondContact CA-OD1 3.45Å; D962-D964 PolarHBondContact O-N 3.28Å; D964-C966 PolarHBondContact O-N 2.96Å |
| 965 | M | 81.2 | Confident | 80.2 | Confident | 17 Ų | 17 | 13.8 Ų | 13.8 | 8% | 0.084 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -72.1 | -15.1 | 176.3 | -68.4 | -64.5 | -170.4 | 0 | 0 | 114.1 | F421 V936 L939 V959 D962 Y963 | F421-M965 HydrophobicContact CE1-CE 3.55Å; F421-M965 HydrophobicContact CZ-CE 3.41Å; F421-M965 VanDerWaalsContact CZ-CE 3.41Å; V936-M965 HydrophobicContact CG1-SD 4.44Å; L939-M965 HydrophobicContact CD1-CB 4.48Å; V959-M965 HydrophobicContact CG1-CB 4.34Å; D962-M965 HydrophobicContact CB-CE 3.87Å; D962-M965 HydrophobicContact CB-CG 3.62Å; D962-M965 WeakPolarHBondContact O-CB 3.47Å; D962-M965 WeakPolarHBondContact O-CG 3.47Å; D962-M965 PolarHBondContact O-N 2.92Å; Y963-M965 PolarHBondContact O-N 3.07Å |
| 966 | C | 87.6 | Confident | 80.7 | Confident | 7 Ų | 7 | 14 Ų | 14 | 5% | 0.047 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -130.3 | 166.9 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | N895 L939 T949 M951 D964 M968 | N895-C966 PolarHBondContact ND2-O 3.16Å; L939-C966 HydrophobicContact CD1-CB 4.09Å; L939-C966 HydrophobicContact CD2-CB 3.89Å; T949-C966 WeakPolarHBondContact OG1-CA 3.43Å; M951-C966 HydrophobicContact CB-CB 4.34Å; D964-C966 PolarHBondContact O-N 2.96Å; C966-M968 PolarHBondContact SG-O 2.83Å |
| 967 | D | 92.6 | Very high | 81.5 | Confident | 69 Ų | 69 | 14.3 Ų | 14.3 | 37% | 0.369 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -76.2 | -27.2 | 178.9 | -57 | -78.4 | 0 | 0 | 0 | 112.2 | N895 L911 R948 T949 | N895-D967 WeakPolarHBondContact CB-O 3.45Å; L911-D967 HydrophobicContact CD2-CB 3.62Å; R948-D967 WeakPolarHBondContact CA-OD2 3.16Å; T949-D967 PolarHBondContact N-OD2 2.91Å; T949-D967 WeakPolarHBondContact O-CA 3.14Å; T949-D967 WeakPolarHBondContact O-CB 3.45Å; T949-D967 PolarHBondContact O-N 2.64Å; T949-D967 PolarHBondContact OG1-N 3.29Å; T949-D967 VanDerWaalsContact OG1-N 3.12Å; T949-D967 PolarHBondContact OG1-OD2 3.31Å |
| 968 | M | 93.6 | Very high | 82.6 | Confident | 12 Ų | 12 | 13.7 Ų | 13.7 | 6% | 0.059 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 130.6 | 168.9 | -62.5 | -177 | 175.6 | 0 | 0 | 111.2 | N895 L897 I908 L911 T949 V950 M951 C966 F986 | N895-M968 WeakPolarHBondContact O-CA 3.37Å; L897-M968 HydrophobicContact CD1-CB 4.12Å; L897-M968 HydrophobicContact CD1-CG 4.23Å; L897-M968 HydrophobicContact CD1-SD 4.04Å; I908-M968 HydrophobicContact CD1-CE 3.67Å; I908-M968 HydrophobicContact CG1-CE 4.02Å; L911-M968 HydrophobicContact CB-CE 3.79Å; L911-M968 HydrophobicContact CB-SD 3.73Å; L911-M968 HydrophobicContact CD1-CE 4.47Å; L911-M968 HydrophobicContact CD2-CG 4.35Å; L911-M968 HydrophobicContact CD2-SD 4.5Å; T949-M968 PolarHBondContact O-N 2.89Å; T949-M968 VanDerWaalsContact O-N 3.14Å; V950-M968 CarbonylContact C-O 3.37Å; V950-M968 VanDerWaalsContact CA-O 3.22Å; V950-M968 WeakPolarHBondContact CA-O 3.06Å; V950-M968 HydrophobicContact CG1-CB 4.4Å; V950-M968 HydrophobicContact CG2-CB 4.19Å; M951-M968 PolarHBondContact N-O 3.32Å; C966-M968 PolarHBondContact SG-O 2.83Å; M968-F986 HydrophobicContact SD-CD1 4.33Å; M968-F986 HydrophobicContact SD-CE1 3.57Å; M968-F986 VanDerWaalsContact SD-CE1 3.57Å; M968-F986 HydrophobicContact SD-CZ 4.27Å |
| 969 | L | 93.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.8 | 170.3 | 174.6 | 64.7 | 0 | 0 | 0 | 109 | N895 Y896 L897 M951 S960 | N895-L969 PolarHBondContact O-N 3.43Å; Y896-L969 HydrophobicContact CD2-CB 4.35Å; Y896-L969 HydrophobicContact CD2-CD2 3.6Å; Y896-L969 HydrophobicContact CD2-CG 4Å; Y896-L969 HydrophobicContact CE2-CD2 3.73Å; Y896-L969 HydrophobicContact CE2-CG 4.33Å; L897-L969 PolarHBondContact N-O 2.94Å; M951-L969 HydrophobicContact CB-CD1 3.9Å; M951-L969 HydrophobicContact CG-CD1 4.06Å; M951-L969 HydrophobicContact SD-CD1 4.31Å; S960-L969 VanDerWaalsContact CA-CD2 3.5Å |
| 970 | L | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 110 | 167.7 | 176.5 | 63.6 | 0 | 0 | 0 | 109.3 | L880 F899 M951 I952 N953 D972 V978 A982 F986 | L880-L970 HydrophobicContact CD2-CD1 3.85Å; F899-L970 HydrophobicContact CD2-CD1 3.9Å; F899-L970 HydrophobicContact CD2-CD2 3.8Å; F899-L970 HydrophobicContact CD2-CG 4.42Å; F899-L970 HydrophobicContact CE2-CD1 4.16Å; F899-L970 HydrophobicContact CE2-CD2 3.39Å; F899-L970 HydrophobicContact CE2-CG 4.4Å; F899-L970 HydrophobicContact CG-CD1 4.2Å; F899-L970 HydrophobicContact CZ-CD2 4.1Å; M951-L970 PolarHBondContact O-N 2.94Å; I952-L970 WeakPolarHBondContact CA-O 3Å; I952-L970 HydrophobicContact CD1-CD2 4.21Å; I952-L970 HydrophobicContact CG1-CB 4.33Å; I952-L970 HydrophobicContact CG1-CD2 4.2Å; I952-L970 HydrophobicContact CG2-CD2 4.4Å; N953-L970 PolarHBondContact N-O 3.13Å; N953-L970 VanDerWaalsContact N-O 3.16Å; L970-D972 HydrophobicContact CD1-CB 4.43Å; L970-D972 HydrophobicContact CG-CB 4.35Å; L970-D972 PolarHBondContact O-N 3.34Å; L970-V978 HydrophobicContact CD2-CG1 4.41Å; L970-A982 HydrophobicContact CD2-CB 3.87Å; L970-F986 HydrophobicContact CD2-CE2 4.39Å |
| 971 | F | 94.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.009 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 87.9 | 179.8 | -159.8 | -81.5 | 0 | 0 | 0 | 111.2 | M740 I742 Y896 L897 N953 C954 P956 S960 | M740-F971 HydrophobicContact CB-CE1 3.93Å; M740-F971 HydrophobicContact CB-CZ 4.26Å; M740-F971 HydrophobicContact CE-CD1 3.75Å; M740-F971 HydrophobicContact CE-CE1 3.25Å; M740-F971 HydrophobicContact CE-CE2 4.23Å; M740-F971 HydrophobicContact CE-CG 4.42Å; M740-F971 HydrophobicContact CE-CZ 3.52Å; M740-F971 HydrophobicContact CG-CE1 4.37Å; M740-F971 WeakPolarHBondContact O-CE1 3.26Å; I742-F971 HydrophobicContact CD1-CD1 3.96Å; I742-F971 HydrophobicContact CG1-CD1 4.44Å; Y896-F971 HydrophobicContact CD2-CB 4.27Å; Y896-F971 HydrophobicContact CE2-CB 3.52Å; Y896-F971 AromaticContact CE2-CD2 3.88Å; Y896-F971 HydrophobicContact CE2-CD2 3.88Å; Y896-F971 AromaticContact CE2-CG 3.87Å; Y896-F971 HydrophobicContact CE2-CG 3.87Å; L897-F971 PolarHBondContact O-N 3.07Å; N953-F971 CarbonylContact O-C 3.37Å; N953-F971 WeakPolarHBondContact O-CA 3.32Å; C954-F971 WeakPolarHBondContact O-CZ 3.34Å; P956-F971 HydrophobicContact CB-CZ 4.43Å; S960-F971 WeakPolarHBondContact OG-CE2 3.1Å |
| 972 | D | 94.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -156.6 | 178.1 | -177.6 | -143.1 | -46.5 | 0 | 0 | 0 | 110.6 | K752 N953 C954 L970 I974 V978 | K752-D972 IonicContact NZ-OD1 2.66Å; K752-D972 IonicContact NZ-OD2 3.11Å; K752-D972 PolarHBondContact NZ-OD2 3.35Å; N953-D972 CarbonylContact C-O 3.44Å; N953-D972 PolarHBondContact O-N 2.85Å; N953-D972 VanDerWaalsContact O-N 3.09Å; C954-D972 WeakPolarHBondContact CB-O 3.31Å; L970-D972 HydrophobicContact CD1-CB 4.43Å; L970-D972 HydrophobicContact CG-CB 4.35Å; L970-D972 PolarHBondContact O-N 3.34Å; D972-I974 PolarHBondContact O-N 3.03Å; D972-V978 HydrophobicContact CB-CG1 4Å |
| 973 | E | 95.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 14.1 Ų | 14.1 | 11% | 0.107 | 7% | 0.074 | C | C | . | . | trans | -64.5 | 135.7 | -171 | -170.6 | -169.8 | 164.8 | 0 | 0 | 111.5 | R755 M756 S975 V978 | R755-E973 IonicContact CZ-OE2 3.98Å; R755-E973 IonicContact NE-OE2 3.8Å; R755-E973 IonicContact NH1-OE2 3.67Å; R755-E973 PolarHBondContact NH1-OE2 3.06Å; R755-E973 IonicContact NH2-OE2 3.82Å; M756-E973 HydrophobicContact CE-CB 3.95Å; M756-E973 HydrophobicContact CG-CB 3.91Å; M756-E973 HydrophobicContact CG-CG 3.96Å; E973-S975 PolarHBondContact O-N 3.44Å; E973-S975 WeakPolarHBondContact OE1-CB 3.35Å; E973-V978 HydrophobicContact CB-CG2 4.21Å; E973-V978 WeakPolarHBondContact O-CB 3.42Å; E973-V978 WeakPolarHBondContact O-CG1 3.45Å | ||
| 974 | I | 93.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | trans | -81.1 | 74 | 171.3 | -50.8 | -177.2 | 0 | 0 | 0 | 109.1 | L918 G919 D972 L999 P1000 | L918-I974 HydrophobicContact CB-CG2 4.39Å; L918-I974 HydrophobicContact CD1-CG2 4.06Å; G919-I974 WeakPolarHBondContact O-CD1 3.44Å; D972-I974 PolarHBondContact O-N 3.03Å; I974-L999 HydrophobicContact CB-CD2 3.98Å; I974-L999 HydrophobicContact CB-CG 4.29Å; I974-L999 HydrophobicContact CD1-CD2 4.35Å; I974-L999 HydrophobicContact CG2-CD2 4.47Å; I974-L999 HydrophobicContact CG2-CG 4.31Å; I974-P1000 HydrophobicContact CG2-CG 4.48Å | ||
| 975 | S | 94.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -121.3 | 163.5 | 178.9 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | E973 E977 V978 V979 | E973-S975 PolarHBondContact O-N 3.44Å; E973-S975 WeakPolarHBondContact OE1-CB 3.35Å; S975-E977 VanDerWaalsContact C-N 3.29Å; S975-E977 PolarHBondContact O-N 3.46Å; S975-V978 PolarHBondContact O-N 2.53Å; S975-V978 PolarHBondContact OG-N 3.03Å; S975-V979 WeakPolarHBondContact O-CB 3.49Å; S975-V979 WeakPolarHBondContact O-CG2 3.44Å; S975-V979 PolarHBondContact O-N 3.36Å |
| 976 | F | 95.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 2% | 0.022 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 175.3 | 168.8 | -100.5 | 0 | 0 | 0 | 111.4 | E864 V865 M980 V1003 N1006 L1007 Q1010 | E864-F976 HydrophobicContact CG-CD1 4.24Å; V865-F976 HydrophobicContact CG2-CE1 4.17Å; V865-F976 HydrophobicContact CG2-CZ 4.43Å; F976-M980 HydrophobicContact CD2-CG 3.89Å; F976-M980 HydrophobicContact CE1-CG 4.19Å; F976-M980 HydrophobicContact CE2-CG 3.52Å; F976-M980 HydrophobicContact CE2-SD 3.99Å; F976-M980 HydrophobicContact CG-CG 4.39Å; F976-M980 HydrophobicContact CZ-CG 3.71Å; F976-M980 HydrophobicContact CZ-SD 4.4Å; F976-M980 VanDerWaalsContact O-CB 3.31Å; F976-M980 WeakPolarHBondContact O-CB 3.28Å; F976-M980 WeakPolarHBondContact O-CG 3.26Å; F976-M980 PolarHBondContact O-N 3.19Å; F976-V1003 HydrophobicContact CB-CG1 4.49Å; F976-N1006 HydrophobicContact CD2-CB 3.57Å; F976-N1006 HydrophobicContact CE2-CB 3.95Å; F976-N1006 HydrophobicContact CG-CB 4.24Å; F976-L1007 HydrophobicContact CD2-CD2 4.1Å; F976-L1007 HydrophobicContact CE2-CD2 4.46Å; F976-Q1010 HydrophobicContact CE2-CG 3.58Å; F976-Q1010 HydrophobicContact CZ-CG 3.51Å |
| 977 | E | 96.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.7 | -56 | 177.6 | -176.2 | -168.3 | 148 | 0 | 0 | 112.7 | K847 S852 D853 E864 R868 S975 M980 D981 | K847-E977 IonicContact NZ-OE1 2.89Å; K847-E977 PolarHBondContact NZ-OE1 3.17Å; K847-E977 IonicContact NZ-OE2 2.82Å; S852-E977 WeakPolarHBondContact CA-OE2 3.38Å; D853-E977 HydrophobicContact CB-CG 4.26Å; D853-E977 WeakPolarHBondContact CB-OE2 3.35Å; D853-E977 PolarHBondContact N-OE2 3.35Å; E864-E977 PolarHBondContact OE1-N 3.28Å; R868-E977 PolarHBondContact NH1-O 3.39Å; S975-E977 VanDerWaalsContact C-N 3.29Å; S975-E977 PolarHBondContact O-N 3.46Å; E977-M980 PolarHBondContact O-N 3.03Å; E977-D981 PolarHBondContact O-N 3.29Å |
| 978 | V | 96.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | -175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | F899 I952 L970 D972 E973 S975 M980 D981 A982 | F899-V978 HydrophobicContact CD2-CG1 4.3Å; F899-V978 HydrophobicContact CE2-CG1 4.46Å; I952-V978 HydrophobicContact CG2-CG1 4.5Å; L970-V978 HydrophobicContact CD2-CG1 4.41Å; D972-V978 HydrophobicContact CB-CG1 4Å; E973-V978 HydrophobicContact CB-CG2 4.21Å; E973-V978 WeakPolarHBondContact O-CB 3.42Å; E973-V978 WeakPolarHBondContact O-CG1 3.45Å; S975-V978 PolarHBondContact O-N 2.53Å; S975-V978 PolarHBondContact OG-N 3.03Å; V978-M980 VanDerWaalsContact C-N 3.31Å; V978-M980 PolarHBondContact O-N 3.12Å; V978-D981 PolarHBondContact O-N 3.36Å; V978-A982 WeakPolarHBondContact O-CB 3.49Å; V978-A982 PolarHBondContact O-N 3.24Å |
| 979 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -36.9 | 177.4 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | L918 I952 S975 A982 C983 L1007 | L918-V979 HydrophobicContact CD1-CG1 4.44Å; L918-V979 HydrophobicContact CD1-CG2 3.89Å; L918-V979 HydrophobicContact CD2-CG1 4.44Å; L918-V979 HydrophobicContact CD2-CG2 3.92Å; I952-V979 HydrophobicContact CD1-CG2 4.31Å; S975-V979 WeakPolarHBondContact O-CB 3.49Å; S975-V979 WeakPolarHBondContact O-CG2 3.44Å; S975-V979 PolarHBondContact O-N 3.36Å; V979-A982 PolarHBondContact O-N 2.94Å; V979-C983 WeakPolarHBondContact O-CB 3.33Å; V979-C983 PolarHBondContact O-N 3.31Å; V979-C983 PolarHBondContact O-SG 2.73Å; V979-L1007 HydrophobicContact CB-CD2 4.2Å; V979-L1007 HydrophobicContact CG1-CD1 3.9Å; V979-L1007 HydrophobicContact CG1-CD2 3.67Å; V979-L1007 HydrophobicContact CG1-CG 4.44Å |
| 980 | M | 97.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 7% | 0.069 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 174.1 | -74.3 | -61.8 | -53.5 | 0 | 0 | 112.2 | R868 F976 E977 V978 A982 C983 E984 L1007 Q1010 V1012 | R868-M980 VanDerWaalsContact CZ-CB 3.45Å; F976-M980 HydrophobicContact CD2-CG 3.89Å; F976-M980 HydrophobicContact CE1-CG 4.19Å; F976-M980 HydrophobicContact CE2-CG 3.52Å; F976-M980 HydrophobicContact CE2-SD 3.99Å; F976-M980 HydrophobicContact CG-CG 4.39Å; F976-M980 HydrophobicContact CZ-CG 3.71Å; F976-M980 HydrophobicContact CZ-SD 4.4Å; F976-M980 VanDerWaalsContact O-CB 3.31Å; F976-M980 WeakPolarHBondContact O-CB 3.28Å; F976-M980 WeakPolarHBondContact O-CG 3.26Å; F976-M980 PolarHBondContact O-N 3.19Å; E977-M980 PolarHBondContact O-N 3.03Å; V978-M980 VanDerWaalsContact C-N 3.31Å; V978-M980 PolarHBondContact O-N 3.12Å; M980-A982 VanDerWaalsContact C-N 3.3Å; M980-A982 PolarHBondContact O-N 2.77Å; M980-C983 PolarHBondContact O-N 3.16Å; M980-E984 WeakPolarHBondContact O-CG 3.43Å; M980-E984 PolarHBondContact O-N 3.34Å; M980-L1007 HydrophobicContact CG-CD2 4.23Å; M980-L1007 HydrophobicContact SD-CD2 3.94Å; M980-Q1010 HydrophobicContact CE-CB 3.84Å; M980-Q1010 HydrophobicContact CE-CG 4.15Å; M980-Q1010 HydrophobicContact SD-CB 3.8Å; M980-Q1010 HydrophobicContact SD-CG 4.04Å; M980-V1012 HydrophobicContact CE-CG2 4.39Å; M980-V1012 HydrophobicContact SD-CG2 3.62Å |
| 981 | D | 96.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.032 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 173.4 | -73.7 | -11.6 | 0 | 0 | 0 | 110.5 | R868 R871 P878 F899 E977 V978 E984 V985 | R868-D981 IonicContact CZ-OD1 2.78Å; R868-D981 IonicContact NH1-OD1 3.96Å; R868-D981 PolarHBondContact NH1-OD1 2.92Å; R868-D981 IonicContact NH2-OD1 3.52Å; R868-D981 PolarHBondContact NH2-OD1 3.29Å; R871-D981 IonicContact NH2-OD1 3.6Å; R871-D981 PolarHBondContact NH2-OD1 3.32Å; R871-D981 IonicContact NH2-OD2 3.29Å; P878-D981 HydrophobicContact CG-CB 4.1Å; F899-D981 HydrophobicContact CE2-CB 4.07Å; F899-D981 HydrophobicContact CZ-CB 4.28Å; E977-D981 PolarHBondContact O-N 3.29Å; V978-D981 PolarHBondContact O-N 3.36Å; D981-E984 PolarHBondContact O-N 2.96Å; D981-V985 WeakPolarHBondContact O-CB 3.17Å; D981-V985 VanDerWaalsContact O-CG2 3.26Å; D981-V985 WeakPolarHBondContact O-CG2 3.41Å; D981-V985 PolarHBondContact O-N 2.95Å |
| 982 | A | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F899 I952 L970 V978 V979 M980 E984 V985 F986 | F899-A982 HydrophobicContact CE2-CB 4.2Å; F899-A982 HydrophobicContact CZ-CB 4.44Å; I952-A982 HydrophobicContact CD1-CB 3.59Å; L970-A982 HydrophobicContact CD2-CB 3.87Å; V978-A982 WeakPolarHBondContact O-CB 3.49Å; V978-A982 PolarHBondContact O-N 3.24Å; V979-A982 PolarHBondContact O-N 2.94Å; M980-A982 VanDerWaalsContact C-N 3.3Å; M980-A982 PolarHBondContact O-N 2.77Å; A982-E984 VanDerWaalsContact C-N 3.33Å; A982-E984 PolarHBondContact O-N 3.22Å; A982-V985 PolarHBondContact O-N 2.93Å; A982-F986 HydrophobicContact CB-CD2 4.03Å; A982-F986 HydrophobicContact CB-CE2 4.22Å; A982-F986 WeakPolarHBondContact O-CB 3.13Å; A982-F986 WeakPolarHBondContact O-CD2 3.48Å; A982-F986 PolarHBondContact O-N 2.83Å |
| 983 | C | 96.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 19 Ų | 19 | 12% | 0.115 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 177 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | V979 M980 N987 P988 | V979-C983 WeakPolarHBondContact O-CB 3.33Å; V979-C983 PolarHBondContact O-N 3.31Å; V979-C983 PolarHBondContact O-SG 2.73Å; M980-C983 PolarHBondContact O-N 3.16Å; C983-N987 VanDerWaalsContact O-CA 3.24Å; C983-N987 WeakPolarHBondContact O-CA 3.46Å; C983-N987 PolarHBondContact O-N 3.08Å; C983-P988 HydrophobicContact CB-CG 4.45Å; C983-P988 WeakPolarHBondContact O-CD 3.24Å |
| 984 | E | 93.9 | Very high | 95.9 | Very high | 90 Ų | 90 | 18.3 Ų | 18.3 | 42% | 0.421 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -70.5 | -37.8 | 176.6 | -76.6 | 170 | -155.2 | 0 | 0 | 111.8 | R868 Q872 M980 D981 A982 | R868-E984 IonicContact CZ-OE1 3.08Å; R868-E984 IonicContact NE-OE1 3.5Å; R868-E984 PolarHBondContact NE-OE1 3.41Å; R868-E984 IonicContact NH2-OE1 2.86Å; R868-E984 PolarHBondContact NH2-OE1 2.81Å; R868-E984 IonicContact NH2-OE2 3.23Å; R868-E984 PolarHBondContact NH2-OE2 2.83Å; Q872-E984 VanDerWaalsContact NE2-CD 3.26Å; Q872-E984 PolarHBondContact NE2-OE1 3.43Å; Q872-E984 PolarHBondContact NE2-OE2 3.29Å; M980-E984 WeakPolarHBondContact O-CG 3.43Å; M980-E984 PolarHBondContact O-N 3.34Å; D981-E984 PolarHBondContact O-N 2.96Å; A982-E984 VanDerWaalsContact C-N 3.33Å; A982-E984 PolarHBondContact O-N 3.22Å |
| 985 | V | 94 | Very high | 95.9 | Very high | 38 Ų | 38 | 18 Ų | 18 | 23% | 0.23 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.6 | -52.5 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | L880 F899 P910 D981 A982 | L880-V985 HydrophobicContact CD1-CG1 3.54Å; L880-V985 HydrophobicContact CG-CG1 4.32Å; F899-V985 HydrophobicContact CE1-CG2 4.13Å; F899-V985 HydrophobicContact CZ-CG2 4.16Å; P910-V985 HydrophobicContact CB-CG1 3.94Å; P910-V985 WeakPolarHBondContact CB-O 3.13Å; P910-V985 HydrophobicContact CG-CG1 3.77Å; P910-V985 WeakPolarHBondContact CG-O 3.28Å; D981-V985 WeakPolarHBondContact O-CB 3.17Å; D981-V985 VanDerWaalsContact O-CG2 3.26Å; D981-V985 WeakPolarHBondContact O-CG2 3.41Å; D981-V985 PolarHBondContact O-N 2.95Å; A982-V985 PolarHBondContact O-N 2.93Å |
| 986 | F | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -88.4 | -11.9 | -172.6 | -61.9 | -59 | 0 | 0 | 0 | 115 | L880 P910 L911 E912 V950 M968 L970 A982 P988 | L880-F986 HydrophobicContact CD1-CE1 3.78Å; L880-F986 HydrophobicContact CD1-CZ 3.67Å; L880-F986 HydrophobicContact CD2-CZ 4.19Å; P910-F986 HydrophobicContact CB-CD1 4.02Å; L911-F986 HydrophobicContact CB-CD1 4.47Å; E912-F986 VanDerWaalsContact CA-O 3.27Å; E912-F986 WeakPolarHBondContact CA-O 3.21Å; V950-F986 HydrophobicContact CG1-CD2 4.1Å; V950-F986 HydrophobicContact CG1-CE2 3.9Å; V950-F986 HydrophobicContact CG1-CZ 4.32Å; V950-F986 HydrophobicContact CG2-CD1 4.47Å; V950-F986 HydrophobicContact CG2-CG 4.42Å; M968-F986 HydrophobicContact SD-CD1 4.33Å; M968-F986 HydrophobicContact SD-CE1 3.57Å; M968-F986 VanDerWaalsContact SD-CE1 3.57Å; M968-F986 HydrophobicContact SD-CZ 4.27Å; L970-F986 HydrophobicContact CD2-CE2 4.39Å; A982-F986 HydrophobicContact CB-CD2 4.03Å; A982-F986 HydrophobicContact CB-CE2 4.22Å; A982-F986 WeakPolarHBondContact O-CB 3.13Å; A982-F986 WeakPolarHBondContact O-CD2 3.48Å; A982-F986 PolarHBondContact O-N 2.83Å; F986-P988 VanDerWaalsContact C-N 3.34Å |
| 987 | N | 94.6 | Very high | 95.3 | Very high | 102 Ų | 102 | 17.5 Ų | 17.5 | 55% | 0.545 | 10% | 0.102 | S | C | . | . | trans | 38.3 | 59.2 | -175.5 | -171.8 | 31.7 | 0 | 0 | 0 | 112.8 | G913 C983 | G913-N987 PolarHBondContact N-O 2.84Å; G913-N987 VanDerWaalsContact N-O 3.16Å; C983-N987 VanDerWaalsContact O-CA 3.24Å; C983-N987 WeakPolarHBondContact O-CA 3.46Å; C983-N987 PolarHBondContact O-N 3.08Å | ||
| 988 | P | 96.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 14% | 0.143 | 10% | 0.102 | C | C | . | . | trans | -70.7 | 151.5 | -167.3 | 30.3 | -36.6 | 0 | 0 | 0 | 111.9 | S914 V916 C983 F986 G990 V991 | S914-P988 CarbonylContact O-C 3.47Å; S914-P988 WeakPolarHBondContact O-CA 3.3Å; S914-P988 WeakPolarHBondContact O-CB 3.42Å; V916-P988 HydrophobicContact CB-CB 4.45Å; V916-P988 HydrophobicContact CG2-CB 3.62Å; V916-P988 HydrophobicContact CG2-CG 3.94Å; C983-P988 HydrophobicContact CB-CG 4.45Å; C983-P988 WeakPolarHBondContact O-CD 3.24Å; F986-P988 VanDerWaalsContact C-N 3.34Å; P988-G990 PolarHBondContact O-N 2.88Å; P988-V991 HydrophobicContact CG-CG2 4.41Å | ||
| 989 | A | 95 | Very high | 94.6 | Very high | 52 Ų | 52 | 18.3 Ų | 18.3 | 43% | 0.43 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -60.7 | -29.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S914 | S914-A989 PolarHBondContact O-N 3.12Š|
| 990 | G | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 172.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | V916 P988 C1013 | V916-G990 PolarHBondContact N-O 3.18Å; P988-G990 PolarHBondContact O-N 2.88Å; G990-C1013 CarbonylContact C-O 3.49Å; G990-C1013 VanDerWaalsContact CA-O 3.27Å; G990-C1013 WeakPolarHBondContact CA-O 3.39Å |
| 991 | V | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.1 | -176.1 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | V916 L918 P988 L993 V1012 C1013 V1014 L1015 | V916-V991 HydrophobicContact CB-CG1 4.43Å; V916-V991 HydrophobicContact CB-CG2 4.23Å; V916-V991 HydrophobicContact CG1-CG1 4.21Å; V916-V991 CarbonylContact O-C 3.59Å; V916-V991 WeakPolarHBondContact O-CA 3.34Å; L918-V991 HydrophobicContact CD1-CG1 4.31Å; L918-V991 HydrophobicContact CD2-CG1 4.26Å; L918-V991 HydrophobicContact CG-CG1 3.96Å; P988-V991 HydrophobicContact CG-CG2 4.41Å; V991-L993 HydrophobicContact CG1-CD2 3.65Å; V991-L993 HydrophobicContact CG1-CG 4.36Å; V991-V1012 HydrophobicContact CB-CG1 4.42Å; V991-V1012 HydrophobicContact CG2-CG1 3.62Å; V991-C1013 PolarHBondContact N-O 3.49Å; V991-V1014 CarbonylContact O-C 3.55Å; V991-V1014 WeakPolarHBondContact O-CA 3.44Å; V991-L1015 PolarHBondContact O-N 3.46Å |
| 992 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.8 | 175.5 | -59.7 | 172.9 | 0 | 0 | 0 | 108.7 | V916 V917 L918 L942 M995 L1015 V1225 | V916-I992 PolarHBondContact O-N 3.22Å; V917-I992 HydrophobicContact CG2-CB 4.43Å; V917-I992 HydrophobicContact CG2-CD1 4.38Å; L918-I992 PolarHBondContact N-O 3.48Å; L918-I992 VanDerWaalsContact N-O 3.11Å; L942-I992 HydrophobicContact CD1-CD1 4.03Å; L942-I992 HydrophobicContact CD2-CD1 4.31Å; I992-M995 HydrophobicContact CG2-CG 4.04Å; I992-L1015 HydrophobicContact CG1-CB 3.85Å; I992-L1015 HydrophobicContact CG1-CD1 4.09Å; I992-V1225 HydrophobicContact CD1-CG1 3.95Å; I992-V1225 HydrophobicContact CG1-CG1 3.93Å |
| 993 | L | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -102.6 | -30.3 | -178.9 | -51.5 | 173.7 | 0 | 0 | 0 | 112.4 | L918 V991 M995 G996 P1000 A1004 L1007 V1014 | L918-L993 HydrophobicContact CB-CD2 4.43Å; L918-L993 HydrophobicContact CD1-CD2 3.21Å; L918-L993 HydrophobicContact CG-CD2 3.74Å; V991-L993 HydrophobicContact CG1-CD2 3.65Å; V991-L993 HydrophobicContact CG1-CG 4.36Å; L993-M995 PolarHBondContact O-N 3.36Å; L993-G996 PolarHBondContact O-N 2.91Å; L993-P1000 HydrophobicContact CB-CB 3.99Å; L993-P1000 HydrophobicContact CD2-CB 4.19Å; L993-P1000 WeakPolarHBondContact O-CB 3.47Å; L993-A1004 HydrophobicContact CD1-CB 3.53Å; L993-L1007 HydrophobicContact CD2-CD1 4.12Å; L993-V1014 HydrophobicContact CD1-CG1 3.66Å; L993-V1014 HydrophobicContact CD1-CG2 4.01Å; L993-V1014 HydrophobicContact CG-CG1 4.07Å | ||
| 994 | C | 95.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -2.7 | -164.6 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | P1181 R1201 A1202 | C994-P1181 HydrophobicContact CB-CG 4.24Å; C994-R1201 HydrophobicContact CB-CB 4.34Å; C994-R1201 WeakPolarHBondContact O-CB 3.38Å; C994-A1202 WeakPolarHBondContact O-CB 3.49Å; C994-A1202 PolarHBondContact O-N 2.94Å |
| 995 | M | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -31.8 | 178.7 | -55.8 | -55.5 | -179.3 | 0 | 0 | 112.8 | C934 C938 I992 L993 G997 P1181 A1202 I1218 A1221 | C934-M995 HydrophobicContact CB-CB 4.41Å; C938-M995 HydrophobicContact CB-CE 4.14Å; C938-M995 HydrophobicContact CB-CG 3.83Å; C938-M995 HydrophobicContact CB-SD 4.43Å; I992-M995 HydrophobicContact CG2-CG 4.04Å; L993-M995 PolarHBondContact O-N 3.36Å; M995-G997 VanDerWaalsContact C-N 3.33Å; M995-G997 PolarHBondContact O-N 2.64Å; M995-P1181 HydrophobicContact CE-CG 4.37Å; M995-P1181 HydrophobicContact SD-CG 4.18Å; M995-A1202 HydrophobicContact SD-CB 4.49Å; M995-I1218 HydrophobicContact SD-CD1 4.23Å; M995-I1218 HydrophobicContact SD-CG2 4.45Å; M995-A1221 HydrophobicContact CE-CB 4.1Å |
| 996 | G | 89.7 | Confident | 93.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -88.5 | 14.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S920 L993 P1000 | S920-G996 WeakPolarHBondContact CA-O 3.19Å; L993-G996 PolarHBondContact O-N 2.91Å; G996-P1000 WeakPolarHBondContact O-CD 3.5Å |
| 997 | G | 89.2 | Confident | 93.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | 79.4 | -146.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M995 R1201 | M995-G997 VanDerWaalsContact C-N 3.33Å; M995-G997 PolarHBondContact O-N 2.64Å; G997-R1201 VanDerWaalsContact C-CD 3.45Å; G997-R1201 VanDerWaalsContact O-CD 3.26Å; G997-R1201 WeakPolarHBondContact O-CD 3.46Å | ||
| 998 | Q | 88.2 | Confident | 93.3 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.019 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -78 | -35.2 | -171 | -167 | 69.2 | 12.5 | 0 | 0 | 113.8 | N1001 N1002 E1026 L1076 R1201 | Q998-N1001 CarbonylContact O-C 3.58Å; Q998-N1001 WeakPolarHBondContact O-CB 3.37Å; Q998-N1001 PolarHBondContact O-N 2.91Å; Q998-N1002 PolarHBondContact NE2-OD1 3.29Å; Q998-N1002 VanDerWaalsContact O-CG 3.31Å; Q998-N1002 PolarHBondContact O-N 3.12Å; Q998-N1002 PolarHBondContact O-OD1 2.75Å; Q998-E1026 PolarHBondContact NE2-OE2 3.35Å; Q998-E1026 PolarHBondContact OE1-OE1 3.17Å; Q998-L1076 HydrophobicContact CB-CB 4.21Å; Q998-L1076 HydrophobicContact CB-CD1 3.87Å; Q998-L1076 HydrophobicContact CB-CD2 4.14Å; Q998-L1076 HydrophobicContact CB-CG 4.26Å; Q998-L1076 HydrophobicContact CG-CB 4.24Å; Q998-R1201 VanDerWaalsContact OE1-CZ 3.3Å |
| 999 | L | 89.7 | Confident | 93.3 | Very high | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.141 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | -175.1 | 175.6 | 68.4 | 0 | 0 | 0 | 111.4 | E759 I974 N1002 | E759-L999 HydrophobicContact CB-CD1 4.45Å; I974-L999 HydrophobicContact CB-CD2 3.98Å; I974-L999 HydrophobicContact CB-CG 4.29Å; I974-L999 HydrophobicContact CD1-CD2 4.35Å; I974-L999 HydrophobicContact CG2-CD2 4.47Å; I974-L999 HydrophobicContact CG2-CG 4.31Å; L999-N1002 PolarHBondContact O-N 2.94Å |
| 1000 | P | 92.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 168.6 | -28.8 | 38.6 | 0 | 0 | 0 | 114.6 | L918 G919 I974 L993 G996 N1002 V1003 A1004 | L918-P1000 HydrophobicContact CB-CB 3.92Å; L918-P1000 HydrophobicContact CB-CG 3.81Å; L918-P1000 HydrophobicContact CD1-CB 4.14Å; G919-P1000 VanDerWaalsContact O-CG 3.26Å; G919-P1000 WeakPolarHBondContact O-CG 3.42Å; I974-P1000 HydrophobicContact CG2-CG 4.48Å; L993-P1000 HydrophobicContact CB-CB 3.99Å; L993-P1000 HydrophobicContact CD2-CB 4.19Å; L993-P1000 WeakPolarHBondContact O-CB 3.47Å; G996-P1000 WeakPolarHBondContact O-CD 3.5Å; P1000-N1002 VanDerWaalsContact C-N 3.26Å; P1000-N1002 PolarHBondContact O-N 2.72Å; P1000-V1003 WeakPolarHBondContact O-CG2 3.49Å; P1000-V1003 PolarHBondContact O-N 2.78Å; P1000-A1004 PolarHBondContact O-N 3.23Å |
| 1001 | N | 90.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 178.2 | -88 | 20.9 | 0 | 0 | 0 | 112.1 | Q998 V1003 A1004 I1022 R1201 | Q998-N1001 CarbonylContact O-C 3.58Å; Q998-N1001 WeakPolarHBondContact O-CB 3.37Å; Q998-N1001 PolarHBondContact O-N 2.91Å; N1001-V1003 PolarHBondContact O-N 2.92Å; N1001-A1004 VanDerWaalsContact O-CB 3.23Å; N1001-A1004 WeakPolarHBondContact O-CB 3.22Å; N1001-A1004 PolarHBondContact O-N 3.4Å; N1001-A1004 VanDerWaalsContact O-N 3.12Å; N1001-I1022 HydrophobicContact CB-CG2 4.43Å; N1001-R1201 WeakPolarHBondContact ND2-CD 3.3Å |
| 1002 | N | 88.6 | Confident | 93 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.3 | -26.3 | 179.3 | -75.2 | -10.2 | 0 | 0 | 0 | 112.9 | E759 Q998 L999 P1000 | E759-N1002 PolarHBondContact OE2-ND2 2.83Å; Q998-N1002 PolarHBondContact NE2-OD1 3.29Å; Q998-N1002 VanDerWaalsContact O-CG 3.31Å; Q998-N1002 PolarHBondContact O-N 3.12Å; Q998-N1002 PolarHBondContact O-OD1 2.75Å; L999-N1002 PolarHBondContact O-N 2.94Å; P1000-N1002 VanDerWaalsContact C-N 3.26Å; P1000-N1002 PolarHBondContact O-N 2.72Å |
| 1003 | V | 91.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -94.4 | -8.3 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | L918 F976 P1000 N1001 M1005 N1006 L1007 | L918-V1003 HydrophobicContact CD1-CG2 4.3Å; F976-V1003 HydrophobicContact CB-CG1 4.49Å; P1000-V1003 WeakPolarHBondContact O-CG2 3.49Å; P1000-V1003 PolarHBondContact O-N 2.78Å; N1001-V1003 PolarHBondContact O-N 2.92Å; V1003-M1005 PolarHBondContact O-N 3.26Å; V1003-N1006 PolarHBondContact O-N 3.33Å; V1003-L1007 HydrophobicContact CB-CD1 4.49Å; V1003-L1007 HydrophobicContact CG2-CD1 3.92Å; V1003-L1007 HydrophobicContact CG2-CG 4.45Å; V1003-L1007 WeakPolarHBondContact O-CG 3.33Å; V1003-L1007 PolarHBondContact O-N 3.33Å |
| 1004 | A | 93.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.2 | -49.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L993 P1000 N1001 N1006 L1007 Y1008 P1019 I1022 | L993-A1004 HydrophobicContact CD1-CB 3.53Å; P1000-A1004 PolarHBondContact O-N 3.23Å; N1001-A1004 VanDerWaalsContact O-CB 3.23Å; N1001-A1004 WeakPolarHBondContact O-CB 3.22Å; N1001-A1004 PolarHBondContact O-N 3.4Å; N1001-A1004 VanDerWaalsContact O-N 3.12Å; A1004-N1006 VanDerWaalsContact C-N 3.33Å; A1004-N1006 PolarHBondContact O-N 3.32Å; A1004-L1007 PolarHBondContact O-N 3.42Å; A1004-Y1008 WeakPolarHBondContact O-CB 3.32Å; A1004-Y1008 PolarHBondContact O-N 3.2Å; A1004-P1019 HydrophobicContact CB-CB 4.22Å; A1004-P1019 HydrophobicContact CB-CG 4.4Å; A1004-I1022 HydrophobicContact CB-CD1 4.45Å |
| 1005 | M | 93.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 22% | 0.222 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.6 | -30.7 | -179.9 | -80.5 | -60.6 | -63 | 0 | 0 | 113.2 | V1003 R1009 P1019 D1023 | V1003-M1005 PolarHBondContact O-N 3.26Å; M1005-R1009 WeakPolarHBondContact O-CD 3.49Å; M1005-R1009 VanDerWaalsContact O-CG 3.22Å; M1005-R1009 WeakPolarHBondContact O-CG 3.29Å; M1005-R1009 PolarHBondContact O-N 3.49Å; M1005-R1009 VanDerWaalsContact O-N 3.1Å; M1005-P1019 HydrophobicContact SD-CB 3.94Å; M1005-D1023 HydrophobicContact CG-CB 4.04Å; M1005-D1023 HydrophobicContact SD-CB 4.22Å |
| 1006 | N | 93.3 | Very high | 93 | Very high | 50 Ų | 50 | 42.6 Ų | 42.6 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.8 | -42.2 | 177 | -67.6 | -21.2 | 0 | 0 | 0 | 110.6 | F976 V1003 A1004 R1009 Q1010 | F976-N1006 HydrophobicContact CD2-CB 3.57Å; F976-N1006 HydrophobicContact CE2-CB 3.95Å; F976-N1006 HydrophobicContact CG-CB 4.24Å; V1003-N1006 PolarHBondContact O-N 3.33Å; A1004-N1006 VanDerWaalsContact C-N 3.33Å; A1004-N1006 PolarHBondContact O-N 3.32Å; N1006-R1009 PolarHBondContact O-N 3.31Å; N1006-R1009 PolarHBondContact OD1-NH1 2.98Å; N1006-Q1010 PolarHBondContact O-N 2.78Å |
| 1007 | L | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.5 | -64.9 | 176.4 | 0 | 0 | 0 | 111.5 | F976 V979 M980 L993 V1003 A1004 R1009 Q1010 K1011 V1012 | F976-L1007 HydrophobicContact CD2-CD2 4.1Å; F976-L1007 HydrophobicContact CE2-CD2 4.46Å; V979-L1007 HydrophobicContact CB-CD2 4.2Å; V979-L1007 HydrophobicContact CG1-CD1 3.9Å; V979-L1007 HydrophobicContact CG1-CD2 3.67Å; V979-L1007 HydrophobicContact CG1-CG 4.44Å; M980-L1007 HydrophobicContact CG-CD2 4.23Å; M980-L1007 HydrophobicContact SD-CD2 3.94Å; L993-L1007 HydrophobicContact CD2-CD1 4.12Å; V1003-L1007 HydrophobicContact CB-CD1 4.49Å; V1003-L1007 HydrophobicContact CG2-CD1 3.92Å; V1003-L1007 HydrophobicContact CG2-CG 4.45Å; V1003-L1007 WeakPolarHBondContact O-CG 3.33Å; V1003-L1007 PolarHBondContact O-N 3.33Å; A1004-L1007 PolarHBondContact O-N 3.42Å; L1007-R1009 VanDerWaalsContact C-N 3.34Å; L1007-R1009 PolarHBondContact O-N 3.04Å; L1007-Q1010 CarbonylContact O-C 3.55Å; L1007-Q1010 WeakPolarHBondContact O-CA 3.24Å; L1007-Q1010 PolarHBondContact O-N 3.38Å; L1007-K1011 PolarHBondContact O-N 2.73Å; L1007-V1012 HydrophobicContact CB-CB 4.04Å; L1007-V1012 HydrophobicContact CB-CG1 4.46Å; L1007-V1012 HydrophobicContact CB-CG2 4.35Å; L1007-V1012 HydrophobicContact CD2-CG2 4.27Å; L1007-V1012 PolarHBondContact O-N 2.95Å; L1007-V1012 VanDerWaalsContact O-N 3.08Å |
| 1008 | Y | 94.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 46.6 Ų | 46.6 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 176.6 | -176.7 | -103 | 0 | 0 | 0 | 112.8 | A1004 Q1010 K1011 E1018 P1019 | A1004-Y1008 WeakPolarHBondContact O-CB 3.32Å; A1004-Y1008 PolarHBondContact O-N 3.2Å; Y1008-Q1010 PolarHBondContact O-N 3.49Å; Y1008-K1011 WeakPolarHBondContact O-CA 3.3Å; Y1008-K1011 PolarHBondContact O-N 3.29Å; Y1008-E1018 HydrophobicContact CE2-CG 4.24Å; Y1008-E1018 PolarHBondContact OH-OE1 3.39Å; Y1008-P1019 HydrophobicContact CD2-CB 4.25Å; Y1008-P1019 HydrophobicContact CD2-CG 3.99Å; Y1008-P1019 HydrophobicContact CG-CB 4.1Å; Y1008-P1019 HydrophobicContact CG-CG 4.22Å |
| 1009 | R | 95.4 | Very high | 94 | Very high | 160 Ų | 160 | 46.6 Ų | 46.6 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64 | -26.6 | 176.2 | -73.2 | 167.3 | -175.5 | 148.9 | -1.2 | 112.9 | M1005 N1006 L1007 K1011 | M1005-R1009 WeakPolarHBondContact O-CD 3.49Å; M1005-R1009 VanDerWaalsContact O-CG 3.22Å; M1005-R1009 WeakPolarHBondContact O-CG 3.29Å; M1005-R1009 PolarHBondContact O-N 3.49Å; M1005-R1009 VanDerWaalsContact O-N 3.1Å; N1006-R1009 PolarHBondContact O-N 3.31Å; N1006-R1009 PolarHBondContact OD1-NH1 2.98Å; L1007-R1009 VanDerWaalsContact C-N 3.34Å; L1007-R1009 PolarHBondContact O-N 3.04Å; R1009-K1011 VanDerWaalsContact C-N 3.27Å |
| 1010 | Q | 94 | Very high | 94.2 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 40% | 0.397 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 9.7 | 171.3 | -60.3 | -52.9 | -44.9 | 0 | 0 | 113.3 | F976 M980 N1006 L1007 Y1008 V1012 | F976-Q1010 HydrophobicContact CE2-CG 3.58Å; F976-Q1010 HydrophobicContact CZ-CG 3.51Å; M980-Q1010 HydrophobicContact CE-CB 3.84Å; M980-Q1010 HydrophobicContact CE-CG 4.15Å; M980-Q1010 HydrophobicContact SD-CB 3.8Å; M980-Q1010 HydrophobicContact SD-CG 4.04Å; N1006-Q1010 PolarHBondContact O-N 2.78Å; L1007-Q1010 CarbonylContact O-C 3.55Å; L1007-Q1010 WeakPolarHBondContact O-CA 3.24Å; L1007-Q1010 PolarHBondContact O-N 3.38Å; Y1008-Q1010 PolarHBondContact O-N 3.49Å; Q1010-V1012 VanDerWaalsContact C-N 3.26Å; Q1010-V1012 HydrophobicContact CB-CG2 4.48Å; Q1010-V1012 PolarHBondContact O-N 3.36Å |
| 1011 | K | 93.7 | Very high | 94.4 | Very high | 193 Ų | 193 | 48.9 Ų | 48.9 | 84% | 0.839 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 25.9 | 178.9 | -51.1 | 179.9 | 178.6 | 180 | 0 | 114.4 | L1007 Y1008 R1009 | L1007-K1011 PolarHBondContact O-N 2.73Å; Y1008-K1011 WeakPolarHBondContact O-CA 3.3Å; Y1008-K1011 PolarHBondContact O-N 3.29Å; R1009-K1011 VanDerWaalsContact C-N 3.27Å |
| 1012 | V | 95.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | trans | -69.8 | 132.1 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | M980 V991 L1007 Q1010 V1014 | M980-V1012 HydrophobicContact CE-CG2 4.39Å; M980-V1012 HydrophobicContact SD-CG2 3.62Å; V991-V1012 HydrophobicContact CB-CG1 4.42Å; V991-V1012 HydrophobicContact CG2-CG1 3.62Å; L1007-V1012 HydrophobicContact CB-CB 4.04Å; L1007-V1012 HydrophobicContact CB-CG1 4.46Å; L1007-V1012 HydrophobicContact CB-CG2 4.35Å; L1007-V1012 HydrophobicContact CD2-CG2 4.27Å; L1007-V1012 PolarHBondContact O-N 2.95Å; L1007-V1012 VanDerWaalsContact O-N 3.08Å; Q1010-V1012 VanDerWaalsContact C-N 3.26Å; Q1010-V1012 HydrophobicContact CB-CG2 4.48Å; Q1010-V1012 PolarHBondContact O-N 3.36Å; V1012-V1014 PolarHBondContact O-N 3.21Å | ||
| 1013 | C | 95.5 | Very high | 94.7 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | trans | -72.1 | 108.2 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | G990 V991 | G990-C1013 CarbonylContact C-O 3.49Å; G990-C1013 VanDerWaalsContact CA-O 3.27Å; G990-C1013 WeakPolarHBondContact CA-O 3.39Å; V991-C1013 PolarHBondContact N-O 3.49Å | ||
| 1014 | V | 96.5 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.3 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | V991 L993 V1012 P1019 | V991-V1014 CarbonylContact O-C 3.55Å; V991-V1014 WeakPolarHBondContact O-CA 3.44Å; L993-V1014 HydrophobicContact CD1-CG1 3.66Å; L993-V1014 HydrophobicContact CD1-CG2 4.01Å; L993-V1014 HydrophobicContact CG-CG1 4.07Å; V1012-V1014 PolarHBondContact O-N 3.21Å; V1014-P1019 HydrophobicContact CB-CG 3.9Å; V1014-P1019 HydrophobicContact CG1-CG 4.11Å; V1014-P1019 HydrophobicContact CG2-CG 3.84Å |
| 1015 | L | 96.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134 | 176.9 | -59.5 | 177.6 | 0 | 0 | 0 | 109.9 | V991 I992 V1225 | V991-L1015 PolarHBondContact O-N 3.46Å; I992-L1015 HydrophobicContact CG1-CB 3.85Å; I992-L1015 HydrophobicContact CG1-CD1 4.09Å; L1015-V1225 HydrophobicContact CB-CG1 3.7Å |
| 1016 | G | 95.8 | Very high | 94.4 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 111.7 | -143.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1179 | G1016-R1179 CarbonylContact C-O 3.57Å; G1016-R1179 VanDerWaalsContact C-O 3.23Å; G1016-R1179 VanDerWaalsContact CA-O 3.29Å; G1016-R1179 WeakPolarHBondContact CA-O 3.24Å |
| 1017 | T | 96.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -72 | 138.3 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | F1021 I1022 R1179 V1200 | T1017-F1021 HydrophobicContact CG2-CB 3.74Å; T1017-I1022 HydrophobicContact CG2-CG1 4.36Å; T1017-R1179 PolarHBondContact N-O 2.83Å; T1017-R1179 PolarHBondContact OG1-N 2.62Å; T1017-R1179 PolarHBondContact OG1-O 2.79Å; T1017-V1200 HydrophobicContact CG2-CG1 3.75Å; T1017-V1200 WeakPolarHBondContact OG1-CG1 3.35Å |
| 1018 | E | 95.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | trans | -58.7 | 136.5 | -179.6 | -164.9 | -158.4 | 167.9 | 0 | 0 | 110.6 | Y1008 G1020 F1021 I1022 | Y1008-E1018 HydrophobicContact CE2-CG 4.24Å; Y1008-E1018 PolarHBondContact OH-OE1 3.39Å; E1018-G1020 PolarHBondContact O-N 2.83Å; E1018-F1021 HydrophobicContact CB-CD2 3.84Å; E1018-F1021 HydrophobicContact CB-CE2 4.4Å; E1018-F1021 PolarHBondContact O-N 2.85Å; E1018-I1022 PolarHBondContact O-N 2.85Å; E1018-I1022 VanDerWaalsContact O-N 3.14Å | ||
| 1019 | P | 95.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -50.7 | -30.8 | 177.6 | -34.1 | 39.9 | 0 | 0 | 0 | 115.5 | A1004 M1005 Y1008 V1014 I1022 D1023 | A1004-P1019 HydrophobicContact CB-CB 4.22Å; A1004-P1019 HydrophobicContact CB-CG 4.4Å; M1005-P1019 HydrophobicContact SD-CB 3.94Å; Y1008-P1019 HydrophobicContact CD2-CB 4.25Å; Y1008-P1019 HydrophobicContact CD2-CG 3.99Å; Y1008-P1019 HydrophobicContact CG-CB 4.1Å; Y1008-P1019 HydrophobicContact CG-CG 4.22Å; V1014-P1019 HydrophobicContact CB-CG 3.9Å; V1014-P1019 HydrophobicContact CG1-CG 4.11Å; V1014-P1019 HydrophobicContact CG2-CG 3.84Å; P1019-I1022 PolarHBondContact O-N 3.38Å; P1019-D1023 WeakPolarHBondContact O-CB 3.43Å; P1019-D1023 PolarHBondContact O-N 3.48Å |
| 1020 | G | 95.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1018 D1023 Q1024 | E1018-G1020 PolarHBondContact O-N 2.83Å; G1020-D1023 PolarHBondContact O-N 2.87Å; G1020-Q1024 WeakPolarHBondContact O-CB 3.24Å; G1020-Q1024 PolarHBondContact O-N 2.62Å |
| 1021 | F | 96 | Very high | 93.3 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.3 | -31.8 | 176.3 | -66.6 | -65 | 0 | 0 | 0 | 112.5 | T1017 E1018 D1023 Q1024 A1025 L1176 Q1177 | T1017-F1021 HydrophobicContact CG2-CB 3.74Å; E1018-F1021 HydrophobicContact CB-CD2 3.84Å; E1018-F1021 HydrophobicContact CB-CE2 4.4Å; E1018-F1021 PolarHBondContact O-N 2.85Å; F1021-D1023 VanDerWaalsContact C-N 3.33Å; F1021-Q1024 PolarHBondContact O-N 2.67Å; F1021-A1025 PolarHBondContact O-N 3.43Å; F1021-L1176 VanDerWaalsContact CB-O 3.26Å; F1021-L1176 WeakPolarHBondContact CB-O 3.29Å; F1021-L1176 WeakPolarHBondContact CD1-O 3.32Å; F1021-L1176 WeakPolarHBondContact CG-O 3.34Å; F1021-Q1177 HydrophobicContact CD2-CB 4.03Å; F1021-Q1177 HydrophobicContact CE1-CB 4.36Å; F1021-Q1177 HydrophobicContact CE1-CG 4.25Å; F1021-Q1177 HydrophobicContact CE2-CB 3.72Å; F1021-Q1177 HydrophobicContact CE2-CG 4.06Å; F1021-Q1177 HydrophobicContact CZ-CB 3.89Å; F1021-Q1177 HydrophobicContact CZ-CG 3.76Å |
| 1022 | I | 93.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 29.2 Ų | 29.2 | 5% | 0.046 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 169.1 | -60.6 | 176.4 | 0 | 0 | 0 | 109.3 | N1001 A1004 T1017 E1018 P1019 Q1024 A1025 E1026 | N1001-I1022 HydrophobicContact CB-CG2 4.43Å; A1004-I1022 HydrophobicContact CB-CD1 4.45Å; T1017-I1022 HydrophobicContact CG2-CG1 4.36Å; E1018-I1022 PolarHBondContact O-N 2.85Å; E1018-I1022 VanDerWaalsContact O-N 3.14Å; P1019-I1022 PolarHBondContact O-N 3.38Å; I1022-Q1024 VanDerWaalsContact C-N 3.33Å; I1022-Q1024 PolarHBondContact O-N 3.35Å; I1022-A1025 PolarHBondContact O-N 3.18Å; I1022-E1026 HydrophobicContact CG2-CG 4.14Å; I1022-E1026 WeakPolarHBondContact O-CB 3.39Å; I1022-E1026 VanDerWaalsContact O-CG 3.3Å; I1022-E1026 WeakPolarHBondContact O-CG 3.24Å; I1022-E1026 PolarHBondContact O-N 3.47Å |
| 1023 | D | 92.1 | Very high | 93 | Very high | 23 Ų | 23 | 33.7 Ų | 33.7 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 177 | -175.7 | 75.9 | 0 | 0 | 0 | 112.7 | M1005 P1019 G1020 F1021 A1025 N1027 K1030 Y1074 | M1005-D1023 HydrophobicContact CG-CB 4.04Å; M1005-D1023 HydrophobicContact SD-CB 4.22Å; P1019-D1023 WeakPolarHBondContact O-CB 3.43Å; P1019-D1023 PolarHBondContact O-N 3.48Å; G1020-D1023 PolarHBondContact O-N 2.87Å; F1021-D1023 VanDerWaalsContact C-N 3.33Å; D1023-A1025 VanDerWaalsContact C-N 3.29Å; D1023-A1025 PolarHBondContact O-N 2.95Å; D1023-N1027 WeakPolarHBondContact O-CB 3.26Å; D1023-N1027 PolarHBondContact O-N 2.92Å; D1023-K1030 IonicContact OD2-NZ 2.87Å; D1023-K1030 PolarHBondContact OD2-NZ 3.29Å; D1023-Y1074 WeakPolarHBondContact OD1-CE1 3.33Å; D1023-Y1074 PolarHBondContact OD1-OH 2.87Å |
| 1024 | Q | 92.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 30.9 Ų | 30.9 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -34.3 | 175.5 | -173 | 171.4 | 2.2 | 0 | 0 | 112.7 | G1020 F1021 I1022 K1030 F1031 T1034 L1176 | G1020-Q1024 WeakPolarHBondContact O-CB 3.24Å; G1020-Q1024 PolarHBondContact O-N 2.62Å; F1021-Q1024 PolarHBondContact O-N 2.67Å; I1022-Q1024 VanDerWaalsContact C-N 3.33Å; I1022-Q1024 PolarHBondContact O-N 3.35Å; Q1024-K1030 HydrophobicContact CG-CB 4.38Å; Q1024-F1031 VanDerWaalsContact O-CA 3.26Å; Q1024-F1031 WeakPolarHBondContact O-CA 3.44Å; Q1024-F1031 WeakPolarHBondContact O-CB 3.32Å; Q1024-F1031 PolarHBondContact O-N 3.46Å; Q1024-F1031 VanDerWaalsContact O-N 3.07Å; Q1024-T1034 PolarHBondContact NE2-OG1 2.94Å; Q1024-L1176 HydrophobicContact CB-CD2 4.23Å; Q1024-L1176 HydrophobicContact CG-CD2 4Å |
| 1025 | A | 92 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -81.6 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1021 I1022 D1023 R1028 F1031 L1176 V1200 | F1021-A1025 PolarHBondContact O-N 3.43Å; I1022-A1025 PolarHBondContact O-N 3.18Å; D1023-A1025 VanDerWaalsContact C-N 3.29Å; D1023-A1025 PolarHBondContact O-N 2.95Å; A1025-R1028 PolarHBondContact O-NH1 3.36Å; A1025-F1031 HydrophobicContact CB-CD2 4.46Å; A1025-L1176 HydrophobicContact CB-CD1 3.95Å; A1025-L1176 HydrophobicContact CB-CD2 4.33Å; A1025-V1200 HydrophobicContact CB-CG2 3.42Å; A1025-V1200 VanDerWaalsContact CB-CG2 3.42Å |
| 1026 | E | 87.7 | Confident | 92.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.5 | -36.2 | -177.5 | -70.9 | -73.3 | 166.6 | 0 | 0 | 112.6 | Q998 I1022 R1028 Y1074 | Q998-E1026 PolarHBondContact NE2-OE2 3.35Å; Q998-E1026 PolarHBondContact OE1-OE1 3.17Å; I1022-E1026 HydrophobicContact CG2-CG 4.14Å; I1022-E1026 WeakPolarHBondContact O-CB 3.39Å; I1022-E1026 VanDerWaalsContact O-CG 3.3Å; I1022-E1026 WeakPolarHBondContact O-CG 3.24Å; I1022-E1026 PolarHBondContact O-N 3.47Å; E1026-R1028 PolarHBondContact O-N 3.49Å; E1026-R1028 PolarHBondContact O-NH1 2.68Å; E1026-Y1074 HydrophobicContact CB-CD1 3.83Å; E1026-Y1074 HydrophobicContact CB-CE1 3.93Å |
| 1027 | N | 88.1 | Confident | 92.4 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -73.6 | 112.4 | 176.9 | -172.2 | -55.7 | 0 | 0 | 0 | 110.5 | D1023 Y1029 K1030 F1031 Y1074 | D1023-N1027 WeakPolarHBondContact O-CB 3.26Å; D1023-N1027 PolarHBondContact O-N 2.92Å; N1027-Y1029 VanDerWaalsContact C-N 3.27Å; N1027-Y1029 PolarHBondContact O-N 2.91Å; N1027-Y1029 WeakPolarHBondContact OD1-CB 3.38Å; N1027-Y1029 PolarHBondContact OD1-N 2.85Å; N1027-Y1029 VanDerWaalsContact OD1-N 3.11Å; N1027-K1030 HydrophobicContact CB-CB 4.01Å; N1027-K1030 HydrophobicContact CB-CD 3.97Å; N1027-K1030 HydrophobicContact CB-CG 3.97Å; N1027-K1030 PolarHBondContact O-N 3.47Å; N1027-K1030 VanDerWaalsContact O-N 3.13Å; N1027-K1030 PolarHBondContact OD1-N 3.43Å; N1027-F1031 WeakPolarHBondContact O-CB 3.22Å; N1027-F1031 PolarHBondContact O-N 2.99Å; N1027-Y1074 HydrophobicContact CB-CE2 4.17Å; N1027-Y1074 WeakPolarHBondContact CB-OH 3.44Å; N1027-Y1074 PolarHBondContact ND2-OH 2.99Å |
| 1028 | R | 87.6 | Confident | 92.2 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -31.3 | -172.3 | -62.1 | -62.5 | -179.7 | -121.1 | 12.5 | 113 | A1025 E1026 S1032 S1073 V1107 E1197 | A1025-R1028 PolarHBondContact O-NH1 3.36Å; E1026-R1028 PolarHBondContact O-N 3.49Å; E1026-R1028 PolarHBondContact O-NH1 2.68Å; R1028-S1032 VanDerWaalsContact O-CB 3.27Å; R1028-S1032 WeakPolarHBondContact O-CB 3.42Å; R1028-S1032 PolarHBondContact O-N 3.16Å; R1028-S1032 VanDerWaalsContact O-N 3.1Å; R1028-S1032 PolarHBondContact O-OG 3.03Å; R1028-S1073 PolarHBondContact N-OG 2.75Å; R1028-V1107 HydrophobicContact CB-CB 4.05Å; R1028-V1107 HydrophobicContact CB-CG2 3.81Å; R1028-E1197 IonicContact CZ-OE2 3.86Å; R1028-E1197 IonicContact NH2-OE2 2.68Å; R1028-E1197 PolarHBondContact NH2-OE2 3.29Å |
| 1029 | Y | 89 | Confident | 91.8 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 29% | 0.286 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.6 | -50.4 | 173.6 | 170.7 | -98.7 | 0 | 0 | 0 | 111.6 | N1027 F1031 S1032 R1033 W1048 E1050 | N1027-Y1029 VanDerWaalsContact C-N 3.27Å; N1027-Y1029 PolarHBondContact O-N 2.91Å; N1027-Y1029 WeakPolarHBondContact OD1-CB 3.38Å; N1027-Y1029 PolarHBondContact OD1-N 2.85Å; N1027-Y1029 VanDerWaalsContact OD1-N 3.11Å; Y1029-F1031 PolarHBondContact O-N 2.9Å; Y1029-S1032 PolarHBondContact O-N 3.32Å; Y1029-R1033 HydrophobicContact CE1-CG 4.44Å; Y1029-R1033 HydrophobicContact CE2-CG 4.24Å; Y1029-R1033 WeakPolarHBondContact O-CG 3.26Å; Y1029-R1033 PolarHBondContact O-N 3.31Å; Y1029-R1033 WeakPolarHBondContact OH-CD 3.49Å; Y1029-R1033 PolarHBondContact OH-NH1 3.07Å; Y1029-W1048 AromaticContact CD2-CH2 3.82Å; Y1029-W1048 HydrophobicContact CD2-CH2 3.82Å; Y1029-W1048 AromaticContact CD2-CZ3 3.85Å; Y1029-W1048 HydrophobicContact CD2-CZ3 3.85Å; Y1029-W1048 HydrophobicContact CE2-CH2 4.2Å; Y1029-E1050 HydrophobicContact CD2-CB 3.75Å; Y1029-E1050 VanDerWaalsContact CD2-CD 3.42Å; Y1029-E1050 HydrophobicContact CD2-CG 4.15Å; Y1029-E1050 WeakPolarHBondContact CD2-OE2 3.33Å; Y1029-E1050 HydrophobicContact CE2-CB 4.31Å; Y1029-E1050 WeakPolarHBondContact CE2-OE2 2.97Å |
| 1030 | K | 91.5 | Very high | 91.2 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 39% | 0.391 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -42.7 | -179.5 | -62.8 | -176.5 | 178.5 | -175.7 | 0 | 111.7 | D1023 Q1024 N1027 R1033 T1034 | D1023-K1030 IonicContact OD2-NZ 2.87Å; D1023-K1030 PolarHBondContact OD2-NZ 3.29Å; Q1024-K1030 HydrophobicContact CG-CB 4.38Å; N1027-K1030 HydrophobicContact CB-CB 4.01Å; N1027-K1030 HydrophobicContact CB-CD 3.97Å; N1027-K1030 HydrophobicContact CB-CG 3.97Å; N1027-K1030 PolarHBondContact O-N 3.47Å; N1027-K1030 VanDerWaalsContact O-N 3.13Å; N1027-K1030 PolarHBondContact OD1-N 3.43Å; K1030-R1033 PolarHBondContact O-N 2.81Å; K1030-T1034 PolarHBondContact O-N 3.23Å; K1030-T1034 PolarHBondContact O-OG1 2.72Å |
| 1031 | F | 92.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -48.7 | 179.1 | -175.6 | -112.5 | 0 | 0 | 0 | 111.2 | Q1024 A1025 N1027 Y1029 R1033 T1034 L1035 V1172 L1176 V1195 C1198 | Q1024-F1031 VanDerWaalsContact O-CA 3.26Å; Q1024-F1031 WeakPolarHBondContact O-CA 3.44Å; Q1024-F1031 WeakPolarHBondContact O-CB 3.32Å; Q1024-F1031 PolarHBondContact O-N 3.46Å; Q1024-F1031 VanDerWaalsContact O-N 3.07Å; A1025-F1031 HydrophobicContact CB-CD2 4.46Å; N1027-F1031 WeakPolarHBondContact O-CB 3.22Å; N1027-F1031 PolarHBondContact O-N 2.99Å; Y1029-F1031 PolarHBondContact O-N 2.9Å; F1031-R1033 VanDerWaalsContact C-N 3.33Å; F1031-R1033 PolarHBondContact O-N 3.09Å; F1031-T1034 WeakPolarHBondContact O-CA 3.26Å; F1031-T1034 VanDerWaalsContact O-CB 3.32Å; F1031-T1034 WeakPolarHBondContact O-CB 3.46Å; F1031-T1034 PolarHBondContact O-N 3.21Å; F1031-T1034 VanDerWaalsContact O-N 3.07Å; F1031-L1035 HydrophobicContact CD1-CD1 3.99Å; F1031-L1035 HydrophobicContact CD1-CG 4.47Å; F1031-L1035 HydrophobicContact CE1-CD1 3.44Å; F1031-L1035 VanDerWaalsContact CE1-CD1 3.44Å; F1031-L1035 HydrophobicContact CE1-CG 4.1Å; F1031-L1035 HydrophobicContact CE2-CD2 4.44Å; F1031-L1035 HydrophobicContact CE2-CG 4.44Å; F1031-L1035 HydrophobicContact CZ-CD1 3.81Å; F1031-L1035 HydrophobicContact CZ-CD2 4.14Å; F1031-L1035 HydrophobicContact CZ-CG 4.1Å; F1031-L1035 PolarHBondContact O-N 2.6Å; F1031-V1172 HydrophobicContact CE2-CG1 4.5Å; F1031-L1176 HydrophobicContact CE2-CD1 4.23Å; F1031-V1195 HydrophobicContact CE1-CG1 4.19Å; F1031-V1195 HydrophobicContact CZ-CG1 3.94Å; F1031-C1198 HydrophobicContact CE2-CB 3.75Å; F1031-C1198 HydrophobicContact CZ-CB 3.68Å |
| 1032 | S | 92.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -36.9 | -179.7 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | R1028 Y1029 T1034 L1035 D1036 Q1045 | R1028-S1032 VanDerWaalsContact O-CB 3.27Å; R1028-S1032 WeakPolarHBondContact O-CB 3.42Å; R1028-S1032 PolarHBondContact O-N 3.16Å; R1028-S1032 VanDerWaalsContact O-N 3.1Å; R1028-S1032 PolarHBondContact O-OG 3.03Å; Y1029-S1032 PolarHBondContact O-N 3.32Å; S1032-T1034 PolarHBondContact O-N 2.79Å; S1032-L1035 PolarHBondContact O-N 3.5Å; S1032-D1036 PolarHBondContact O-N 2.59Å; S1032-Q1045 PolarHBondContact O-NE2 3.08Å |
| 1033 | R | 92 | Very high | 89.7 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 170.7 | -77.3 | -165.8 | 61.4 | 176.9 | -4.1 | 113.1 | Y1029 K1030 F1031 L1035 D1036 E1037 W1048 | Y1029-R1033 HydrophobicContact CE1-CG 4.44Å; Y1029-R1033 HydrophobicContact CE2-CG 4.24Å; Y1029-R1033 WeakPolarHBondContact O-CG 3.26Å; Y1029-R1033 PolarHBondContact O-N 3.31Å; Y1029-R1033 WeakPolarHBondContact OH-CD 3.49Å; Y1029-R1033 PolarHBondContact OH-NH1 3.07Å; K1030-R1033 PolarHBondContact O-N 2.81Å; F1031-R1033 VanDerWaalsContact C-N 3.33Å; F1031-R1033 PolarHBondContact O-N 3.09Å; R1033-L1035 VanDerWaalsContact C-N 3.3Å; R1033-L1035 PolarHBondContact O-N 3.46Å; R1033-D1036 PolarHBondContact O-N 3.47Å; R1033-E1037 WeakPolarHBondContact O-CG 3.41Å; R1033-E1037 PolarHBondContact O-N 3.35Å; R1033-W1048 HydrophobicContact CG-CH2 3.76Å; R1033-W1048 HydrophobicContact CG-CZ2 3.9Å |
| 1034 | T | 92.7 | Very high | 89.7 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | Q1024 K1030 F1031 S1032 D1036 E1037 L1038 A1175 | Q1024-T1034 PolarHBondContact NE2-OG1 2.94Å; K1030-T1034 PolarHBondContact O-N 3.23Å; K1030-T1034 PolarHBondContact O-OG1 2.72Å; F1031-T1034 WeakPolarHBondContact O-CA 3.26Å; F1031-T1034 VanDerWaalsContact O-CB 3.32Å; F1031-T1034 WeakPolarHBondContact O-CB 3.46Å; F1031-T1034 PolarHBondContact O-N 3.21Å; F1031-T1034 VanDerWaalsContact O-N 3.07Å; S1032-T1034 PolarHBondContact O-N 2.79Å; T1034-D1036 PolarHBondContact O-N 3.06Å; T1034-E1037 PolarHBondContact O-N 3.43Å; T1034-L1038 HydrophobicContact CG2-CD1 4.37Å; T1034-L1038 VanDerWaalsContact O-CG 3.31Å; T1034-L1038 WeakPolarHBondContact O-CG 3.43Å; T1034-L1038 PolarHBondContact O-N 3.08Å; T1034-A1175 HydrophobicContact CG2-CB 4.48Å |
| 1035 | L | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 176.2 | -66.7 | -178.5 | 0 | 0 | 0 | 113 | F1031 S1032 R1033 E1037 L1038 N1039 I1043 Q1045 V1172 V1195 | F1031-L1035 HydrophobicContact CD1-CD1 3.99Å; F1031-L1035 HydrophobicContact CD1-CG 4.47Å; F1031-L1035 HydrophobicContact CE1-CD1 3.44Å; F1031-L1035 VanDerWaalsContact CE1-CD1 3.44Å; F1031-L1035 HydrophobicContact CE1-CG 4.1Å; F1031-L1035 HydrophobicContact CE2-CD2 4.44Å; F1031-L1035 HydrophobicContact CE2-CG 4.44Å; F1031-L1035 HydrophobicContact CZ-CD1 3.81Å; F1031-L1035 HydrophobicContact CZ-CD2 4.14Å; F1031-L1035 HydrophobicContact CZ-CG 4.1Å; F1031-L1035 PolarHBondContact O-N 2.6Å; S1032-L1035 PolarHBondContact O-N 3.5Å; R1033-L1035 VanDerWaalsContact C-N 3.3Å; R1033-L1035 PolarHBondContact O-N 3.46Å; L1035-E1037 VanDerWaalsContact C-N 3.31Å; L1035-E1037 PolarHBondContact O-N 2.8Å; L1035-L1038 HydrophobicContact CD2-CD1 4.46Å; L1035-L1038 CarbonylContact O-C 3.5Å; L1035-L1038 PolarHBondContact O-N 2.79Å; L1035-N1039 PolarHBondContact O-N 3.18Å; L1035-N1039 VanDerWaalsContact O-N 3.07Å; L1035-I1043 HydrophobicContact CD2-CG2 3.91Å; L1035-Q1045 HydrophobicContact CB-CG 4.4Å; L1035-Q1045 HydrophobicContact CD1-CB 3.97Å; L1035-V1172 HydrophobicContact CD2-CG2 4.04Å; L1035-V1195 HydrophobicContact CD1-CB 3.89Å; L1035-V1195 HydrophobicContact CD1-CG1 3.89Å; L1035-V1195 HydrophobicContact CD2-CB 4.29Å; L1035-V1195 HydrophobicContact CD2-CG1 4.25Å; L1035-V1195 HydrophobicContact CD2-CG2 4.35Å |
| 1036 | D | 92.7 | Very high | 89.9 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 174.9 | -75 | -25.7 | 0 | 0 | 0 | 112.2 | S1032 R1033 T1034 L1038 N1039 Q1045 W1048 | S1032-D1036 PolarHBondContact O-N 2.59Å; R1033-D1036 PolarHBondContact O-N 3.47Å; T1034-D1036 PolarHBondContact O-N 3.06Å; D1036-L1038 VanDerWaalsContact C-N 3.31Å; D1036-N1039 WeakPolarHBondContact O-CB 3.43Å; D1036-N1039 PolarHBondContact O-N 3.36Å; D1036-Q1045 PolarHBondContact OD1-NE2 3Å; D1036-W1048 WeakPolarHBondContact OD2-CZ2 3.28Å; D1036-W1048 PolarHBondContact OD2-NE1 3.27Å |
| 1037 | E | 91.7 | Very high | 90.2 | Very high | 104 Ų | 104 | 63.5 Ų | 63.5 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 174 | -70.5 | 171.9 | -169.4 | 0 | 0 | 111.6 | R1033 T1034 L1035 N1039 | R1033-E1037 WeakPolarHBondContact O-CG 3.41Å; R1033-E1037 PolarHBondContact O-N 3.35Å; T1034-E1037 PolarHBondContact O-N 3.43Å; L1035-E1037 VanDerWaalsContact C-N 3.31Å; L1035-E1037 PolarHBondContact O-N 2.8Å; E1037-N1039 VanDerWaalsContact C-N 3.27Å; E1037-N1039 PolarHBondContact O-N 2.8Å |
| 1038 | L | 92.5 | Very high | 90.4 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -77.1 | -3.4 | 174.6 | -63.4 | 175.7 | 0 | 0 | 0 | 114.1 | T1034 L1035 D1036 R1040 E1041 I1043 T1171 V1172 A1175 | T1034-L1038 HydrophobicContact CG2-CD1 4.37Å; T1034-L1038 VanDerWaalsContact O-CG 3.31Å; T1034-L1038 WeakPolarHBondContact O-CG 3.43Å; T1034-L1038 PolarHBondContact O-N 3.08Å; L1035-L1038 HydrophobicContact CD2-CD1 4.46Å; L1035-L1038 CarbonylContact O-C 3.5Å; L1035-L1038 PolarHBondContact O-N 2.79Å; D1036-L1038 VanDerWaalsContact C-N 3.31Å; L1038-R1040 PolarHBondContact O-N 2.94Å; L1038-R1040 VanDerWaalsContact O-N 3.12Å; L1038-E1041 WeakPolarHBondContact O-CA 3.41Å; L1038-E1041 WeakPolarHBondContact O-CB 3.29Å; L1038-E1041 PolarHBondContact O-N 3.49Å; L1038-I1043 HydrophobicContact CB-CB 3.93Å; L1038-I1043 HydrophobicContact CB-CG1 3.94Å; L1038-I1043 HydrophobicContact CB-CG2 4.5Å; L1038-I1043 PolarHBondContact O-N 2.81Å; L1038-T1171 HydrophobicContact CD2-CG2 4.13Å; L1038-V1172 HydrophobicContact CD1-CG2 4.3Å; L1038-A1175 HydrophobicContact CD1-CB 3.65Å; L1038-A1175 HydrophobicContact CD2-CB 3.97Å; L1038-A1175 HydrophobicContact CG-CB 4.3Å |
| 1039 | N | 86.3 | Confident | 90.5 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -61.9 | -22.5 | 176.8 | -169.2 | 16.6 | 0 | 0 | 0 | 112.5 | L1035 D1036 E1037 E1041 H1042 I1043 L1044 | L1035-N1039 PolarHBondContact O-N 3.18Å; L1035-N1039 VanDerWaalsContact O-N 3.07Å; D1036-N1039 WeakPolarHBondContact O-CB 3.43Å; D1036-N1039 PolarHBondContact O-N 3.36Å; E1037-N1039 VanDerWaalsContact C-N 3.27Å; E1037-N1039 PolarHBondContact O-N 2.8Å; N1039-E1041 PolarHBondContact O-N 2.94Å; N1039-H1042 WeakPolarHBondContact O-CA 3.39Å; N1039-H1042 PolarHBondContact O-N 2.87Å; N1039-I1043 WeakPolarHBondContact CA-O 3.39Å; N1039-L1044 WeakPolarHBondContact OD1-CD2 3.09Å |
| 1040 | R | 82.1 | Confident | 90.4 | Very high | 217 Ų | 217 | 68.5 Ų | 68.5 | 82% | 0.819 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.6 | -27.3 | 170.9 | -60.1 | -177.4 | -134.8 | 156.7 | 6.6 | 113 | L1038 H1042 | L1038-R1040 PolarHBondContact O-N 2.94Å; L1038-R1040 VanDerWaalsContact O-N 3.12Å; R1040-H1042 VanDerWaalsContact C-N 3.26Å |
| 1041 | E | 79.6 | Confident | 89.7 | Confident | 113 Ų | 113 | 64.7 Ų | 64.7 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -89.5 | 13 | 173.6 | -63.3 | -75.9 | 166.1 | 0 | 0 | 111.8 | L1038 N1039 I1043 R1167 T1171 | L1038-E1041 WeakPolarHBondContact O-CA 3.41Å; L1038-E1041 WeakPolarHBondContact O-CB 3.29Å; L1038-E1041 PolarHBondContact O-N 3.49Å; N1039-E1041 PolarHBondContact O-N 2.94Å; E1041-I1043 VanDerWaalsContact C-N 3.3Å; E1041-I1043 HydrophobicContact CB-CG1 4.13Å; E1041-I1043 PolarHBondContact O-N 2.93Å; E1041-R1167 PolarHBondContact O-NH1 2.67Å; E1041-T1171 HydrophobicContact CB-CG2 4.03Å; E1041-T1171 HydrophobicContact CG-CG2 4.14Å |
| 1042 | H | 85 | Confident | 88.6 | Confident | 138 Ų | 138 | 70.4 Ų | 70.4 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 37.1 | -174 | -54.1 | -61.8 | 0 | 0 | 0 | 113.6 | N1039 R1040 R1167 | N1039-H1042 WeakPolarHBondContact O-CA 3.39Å; N1039-H1042 PolarHBondContact O-N 2.87Å; R1040-H1042 VanDerWaalsContact C-N 3.26Å; H1042-R1167 PolarHBondContact O-NH1 3.43Å; H1042-R1167 PolarHBondContact O-NH2 2.89Å |
| 1043 | I | 90.3 | Very high | 88 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | trans | -90.2 | 112.7 | 168.7 | -51.5 | -60.4 | 0 | 0 | 0 | 108.1 | L1035 L1038 N1039 E1041 V1168 T1171 V1172 V1195 | L1035-I1043 HydrophobicContact CD2-CG2 3.91Å; L1038-I1043 HydrophobicContact CB-CB 3.93Å; L1038-I1043 HydrophobicContact CB-CG1 3.94Å; L1038-I1043 HydrophobicContact CB-CG2 4.5Å; L1038-I1043 PolarHBondContact O-N 2.81Å; N1039-I1043 WeakPolarHBondContact CA-O 3.39Å; E1041-I1043 VanDerWaalsContact C-N 3.3Å; E1041-I1043 HydrophobicContact CB-CG1 4.13Å; E1041-I1043 PolarHBondContact O-N 2.93Å; I1043-V1168 HydrophobicContact CD1-CB 4.07Å; I1043-V1168 HydrophobicContact CD1-CG1 4.35Å; I1043-V1168 HydrophobicContact CD1-CG2 3.64Å; I1043-T1171 HydrophobicContact CD1-CG2 4.07Å; I1043-T1171 HydrophobicContact CG1-CG2 3.89Å; I1043-V1172 HydrophobicContact CG2-CG2 4.23Å; I1043-V1195 HydrophobicContact CG2-CG2 3.84Å | ||
| 1044 | L | 92.5 | Very high | 87.4 | Confident | 63 Ų | 63 | 69.9 Ų | 69.9 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -101.2 | 154 | -177.5 | -61.1 | 176.5 | 0 | 0 | 0 | 110.8 | N1039 Q1194 V1195 | N1039-L1044 WeakPolarHBondContact OD1-CD2 3.09Å; L1044-Q1194 HydrophobicContact CB-CB 4.31Å; L1044-Q1194 HydrophobicContact CB-CG 3.81Å; L1044-Q1194 CarbonylContact O-C 3.59Å; L1044-Q1194 WeakPolarHBondContact O-CA 3.43Å; L1044-V1195 PolarHBondContact O-N 3.43Å |
| 1045 | Q | 94.1 | Very high | 87 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | trans | -139.4 | 162.5 | 169.9 | 65.7 | -179.2 | -38.5 | 0 | 0 | 109.8 | S1032 L1035 D1036 Q1194 | S1032-Q1045 PolarHBondContact O-NE2 3.08Å; L1035-Q1045 HydrophobicContact CB-CG 4.4Å; L1035-Q1045 HydrophobicContact CD1-CB 3.97Å; D1036-Q1045 PolarHBondContact OD1-NE2 3Å; Q1045-Q1194 VanDerWaalsContact C-NE2 3.33Å; Q1045-Q1194 PolarHBondContact O-NE2 2.92Å | ||
| 1046 | P | 93.2 | Very high | 86.5 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -58 | 144.9 | 168.8 | -22.6 | 33.9 | 0 | 0 | 0 | 111.5 | W1048 K1110 I1112 V1195 | P1046-W1048 PolarHBondContact O-N 3.3Å; P1046-K1110 WeakPolarHBondContact CB-O 3.42Å; P1046-I1112 HydrophobicContact CB-CD1 4.36Å; P1046-I1112 HydrophobicContact CG-CD1 4.06Å; P1046-V1195 WeakPolarHBondContact CD-O 3.49Å | ||
| 1047 | R | 93.8 | Very high | 86.2 | Confident | 138 Ų | 138 | 73.4 Ų | 73.4 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | trans | -55.4 | 134.4 | 175.7 | -65.2 | -165.9 | 70.2 | -160.8 | -4.6 | 109.7 | E1063 V1064 S1109 K1110 | R1047-E1063 IonicContact CZ-OE1 3.26Å; R1047-E1063 VanDerWaalsContact CZ-OE1 3.22Å; R1047-E1063 IonicContact NH1-OE1 3.07Å; R1047-E1063 PolarHBondContact NH1-OE1 3.11Å; R1047-E1063 IonicContact NH2-OE1 2.68Å; R1047-E1063 PolarHBondContact NH2-OE1 3.29Å; R1047-V1064 HydrophobicContact CB-CG1 4.03Å; R1047-S1109 CarbonylContact O-C 3.33Å; R1047-S1109 WeakPolarHBondContact O-CA 3.27Å; R1047-K1110 HydrophobicContact CB-CB 4.42Å; R1047-K1110 PolarHBondContact O-N 3.11Å | ||
| 1048 | W | 93.7 | Very high | 86 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 161.5 | -173.2 | 72.9 | -82.1 | 0 | 0 | 0 | 112 | Y1029 R1033 D1036 P1046 E1050 V1107 I1108 | Y1029-W1048 AromaticContact CD2-CH2 3.82Å; Y1029-W1048 HydrophobicContact CD2-CH2 3.82Å; Y1029-W1048 AromaticContact CD2-CZ3 3.85Å; Y1029-W1048 HydrophobicContact CD2-CZ3 3.85Å; Y1029-W1048 HydrophobicContact CE2-CH2 4.2Å; R1033-W1048 HydrophobicContact CG-CH2 3.76Å; R1033-W1048 HydrophobicContact CG-CZ2 3.9Å; D1036-W1048 WeakPolarHBondContact OD2-CZ2 3.28Å; D1036-W1048 PolarHBondContact OD2-NE1 3.27Å; P1046-W1048 PolarHBondContact O-N 3.3Å; W1048-E1050 HydrophobicContact CZ3-CB 4.35Å; W1048-V1107 HydrophobicContact CB-CG1 4.45Å; W1048-V1107 HydrophobicContact CE3-CG1 3.82Å; W1048-I1108 CarbonylContact C-O 3.59Å; W1048-I1108 WeakPolarHBondContact CA-O 3.45Å |
| 1049 | K | 89.2 | Confident | 85.9 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 139.2 | 171.4 | -163.7 | 164.7 | 174.3 | -176.7 | 0 | 110.9 | L1051 F1060 I1108 | K1049-L1051 HydrophobicContact CB-CD1 4.21Å; K1049-L1051 HydrophobicContact CB-CD2 4.27Å; K1049-L1051 HydrophobicContact CB-CG 4.11Å; K1049-L1051 HydrophobicContact CD-CD2 3.78Å; K1049-L1051 HydrophobicContact CG-CD2 3.75Å; K1049-L1051 HydrophobicContact CG-CG 4.03Å; K1049-F1060 HydrophobicContact CB-CD1 4.35Å; K1049-F1060 HydrophobicContact CB-CD2 3.69Å; K1049-F1060 HydrophobicContact CB-CE1 4.44Å; K1049-F1060 HydrophobicContact CB-CE2 3.79Å; K1049-F1060 HydrophobicContact CB-CG 3.98Å; K1049-F1060 HydrophobicContact CB-CZ 4.18Å; K1049-F1060 HydrophobicContact CD-CB 4.37Å; K1049-F1060 HydrophobicContact CD-CD2 3.92Å; K1049-F1060 HydrophobicContact CD-CG 4.34Å; K1049-F1060 HydrophobicContact CG-CD2 4.48Å; K1049-I1108 PolarHBondContact N-O 2.88Å; K1049-I1108 PolarHBondContact O-N 3.24Å |
| 1050 | E | 85.8 | Confident | 86.2 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 34% | 0.341 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129 | 166.8 | 179 | -174.8 | -129.5 | 0 | 0 | 109.2 | Y1029 W1048 P1105 V1107 | Y1029-E1050 HydrophobicContact CD2-CB 3.75Å; Y1029-E1050 VanDerWaalsContact CD2-CD 3.42Å; Y1029-E1050 HydrophobicContact CD2-CG 4.15Å; Y1029-E1050 WeakPolarHBondContact CD2-OE2 3.33Å; Y1029-E1050 HydrophobicContact CE2-CB 4.31Å; Y1029-E1050 WeakPolarHBondContact CE2-OE2 2.97Å; W1048-E1050 HydrophobicContact CZ3-CB 4.35Å; E1050-P1105 HydrophobicContact CG-CB 3.99Å; E1050-P1105 HydrophobicContact CG-CG 4.2Å; E1050-P1105 WeakPolarHBondContact OE1-CG 3.17Å; E1050-V1107 HydrophobicContact CB-CG2 4.46Å |
| 1051 | L | 76.7 | Confident | 86.6 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.3 | -167.5 | -64.6 | 159.5 | 0 | 0 | 0 | 109.8 | K1049 S1056 A1057 F1060 V1106 I1108 | K1049-L1051 HydrophobicContact CB-CD1 4.21Å; K1049-L1051 HydrophobicContact CB-CD2 4.27Å; K1049-L1051 HydrophobicContact CB-CG 4.11Å; K1049-L1051 HydrophobicContact CD-CD2 3.78Å; K1049-L1051 HydrophobicContact CG-CD2 3.75Å; K1049-L1051 HydrophobicContact CG-CG 4.03Å; L1051-S1056 WeakPolarHBondContact CD2-O 3.27Å; L1051-S1056 WeakPolarHBondContact CD2-OG 3.08Å; L1051-A1057 HydrophobicContact CB-CB 4.32Å; L1051-A1057 HydrophobicContact CD1-CB 3.89Å; L1051-F1060 HydrophobicContact CD1-CB 4.04Å; L1051-F1060 HydrophobicContact CD1-CD1 4.13Å; L1051-F1060 HydrophobicContact CD1-CG 4.28Å; L1051-V1106 PolarHBondContact N-O 3.26Å; L1051-I1108 HydrophobicContact CD1-CB 3.87Å; L1051-I1108 HydrophobicContact CD1-CD1 3.59Å; L1051-I1108 HydrophobicContact CD1-CG1 3.71Å |
| 1052 | V | 70.7 | Confident | 87.3 | Confident | 123 Ų | 123 | 57.5 Ų | 57.5 | 75% | 0.745 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -99.3 | -22.6 | -177.4 | -93.9 | 0 | 0 | 0 | 0 | 113 | P1105 | V1052-P1105 HydrophobicContact CG1-CB 4.38Š|
| 1053 | T | 78.5 | Confident | 87.7 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -122.8 | 150.7 | 178 | 85.4 | 0 | 0 | 0 | 0 | 111.8 | E1055 S1056 A1057 | T1053-E1055 VanDerWaalsContact C-N 3.27Å; T1053-E1055 VanDerWaalsContact CB-OE2 3.25Å; T1053-E1055 WeakPolarHBondContact CB-OE2 3.17Å; T1053-E1055 PolarHBondContact O-N 3.45Å; T1053-E1055 PolarHBondContact OG1-OE2 2.58Å; T1053-S1056 PolarHBondContact N-OG 3.49Å; T1053-S1056 PolarHBondContact O-N 3.15Å; T1053-S1056 PolarHBondContact O-OG 2.88Å; T1053-S1056 PolarHBondContact OG1-N 3.1Å; T1053-S1056 PolarHBondContact OG1-OG 3.08Å; T1053-A1057 PolarHBondContact O-N 3.37Å |
| 1054 | V | 80 | Confident | 87.8 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | A1057 I1058 K1091 L1094 | V1054-A1057 WeakPolarHBondContact O-CB 3.37Å; V1054-A1057 PolarHBondContact O-N 3.13Å; V1054-I1058 HydrophobicContact CG1-CD1 4Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.42Å; V1054-I1058 PolarHBondContact O-N 2.87Å; V1054-K1091 HydrophobicContact CG1-CD 4.39Å; V1054-K1091 HydrophobicContact CG1-CG 3.59Å; V1054-L1094 HydrophobicContact CB-CD1 4.49Å; V1054-L1094 HydrophobicContact CG2-CD1 4.18Å |
| 1055 | E | 83.8 | Confident | 87.7 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 179.8 | -58.2 | 72.9 | -156.6 | 0 | 0 | 111.4 | T1053 A1057 I1058 A1059 | T1053-E1055 VanDerWaalsContact C-N 3.27Å; T1053-E1055 VanDerWaalsContact CB-OE2 3.25Å; T1053-E1055 WeakPolarHBondContact CB-OE2 3.17Å; T1053-E1055 PolarHBondContact O-N 3.45Å; T1053-E1055 PolarHBondContact OG1-OE2 2.58Å; E1055-A1057 PolarHBondContact O-N 3.02Å; E1055-I1058 PolarHBondContact O-N 3.27Å; E1055-A1059 PolarHBondContact O-N 3Å |
| 1056 | S | 83.9 | Confident | 87.5 | Confident | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 177.6 | 71 | 0 | 0 | 0 | 0 | 111.7 | L1051 T1053 F1060 | L1051-S1056 WeakPolarHBondContact CD2-O 3.27Å; L1051-S1056 WeakPolarHBondContact CD2-OG 3.08Å; T1053-S1056 PolarHBondContact N-OG 3.49Å; T1053-S1056 PolarHBondContact O-N 3.15Å; T1053-S1056 PolarHBondContact O-OG 2.88Å; T1053-S1056 PolarHBondContact OG1-N 3.1Å; T1053-S1056 PolarHBondContact OG1-OG 3.08Å; S1056-F1060 PolarHBondContact O-N 3.17Å; S1056-F1060 VanDerWaalsContact O-N 3.16Å |
| 1057 | A | 85.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1051 T1053 V1054 E1055 A1059 F1060 C1061 L1090 L1094 I1108 | L1051-A1057 HydrophobicContact CB-CB 4.32Å; L1051-A1057 HydrophobicContact CD1-CB 3.89Å; T1053-A1057 PolarHBondContact O-N 3.37Å; V1054-A1057 WeakPolarHBondContact O-CB 3.37Å; V1054-A1057 PolarHBondContact O-N 3.13Å; E1055-A1057 PolarHBondContact O-N 3.02Å; A1057-A1059 VanDerWaalsContact C-N 3.35Å; A1057-A1059 PolarHBondContact O-N 3.03Å; A1057-F1060 PolarHBondContact O-N 3.45Å; A1057-C1061 PolarHBondContact O-N 3.3Å; A1057-C1061 PolarHBondContact O-SG 3.42Å; A1057-C1061 VanDerWaalsContact O-SG 3.32Å; A1057-L1090 HydrophobicContact CB-CD2 4.02Å; A1057-L1094 HydrophobicContact CB-CD1 3.61Å; A1057-I1108 HydrophobicContact CB-CD1 3.5Å; A1057-I1108 VanDerWaalsContact CB-CD1 3.5Å |
| 1058 | I | 89.3 | Confident | 87.4 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.1 | -67.3 | 165.2 | 0 | 0 | 0 | 110.4 | V1054 E1055 F1060 C1061 H1062 D1087 L1090 K1091 | V1054-I1058 HydrophobicContact CG1-CD1 4Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.42Å; V1054-I1058 PolarHBondContact O-N 2.87Å; E1055-I1058 PolarHBondContact O-N 3.27Å; I1058-F1060 VanDerWaalsContact C-N 3.31Å; I1058-F1060 PolarHBondContact O-N 3.28Å; I1058-C1061 PolarHBondContact O-N 3.46Å; I1058-C1061 VanDerWaalsContact O-N 3.12Å; I1058-H1062 PolarHBondContact O-CD2 3.14Å; I1058-H1062 PolarHBondContact O-N 3.15Å; I1058-D1087 HydrophobicContact CG1-CB 4.5Å; I1058-D1087 WeakPolarHBondContact CG2-OD2 3.16Å; I1058-L1090 HydrophobicContact CG1-CD2 3.93Å; I1058-K1091 HydrophobicContact CD1-CD 4.47Å; I1058-K1091 HydrophobicContact CD1-CG 4.29Å |
| 1059 | A | 90.4 | Very high | 87.2 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1055 A1057 H1062 E1063 | E1055-A1059 PolarHBondContact O-N 3Å; A1057-A1059 VanDerWaalsContact C-N 3.35Å; A1057-A1059 PolarHBondContact O-N 3.03Å; A1059-H1062 PolarHBondContact O-N 3.01Å; A1059-E1063 PolarHBondContact O-N 3.49Å; A1059-E1063 VanDerWaalsContact O-N 3.08Å |
| 1060 | F | 92.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 174.8 | 174.6 | -106 | 0 | 0 | 0 | 112.1 | K1049 L1051 S1056 A1057 I1058 H1062 E1063 V1064 I1108 | K1049-F1060 HydrophobicContact CB-CD1 4.35Å; K1049-F1060 HydrophobicContact CB-CD2 3.69Å; K1049-F1060 HydrophobicContact CB-CE1 4.44Å; K1049-F1060 HydrophobicContact CB-CE2 3.79Å; K1049-F1060 HydrophobicContact CB-CG 3.98Å; K1049-F1060 HydrophobicContact CB-CZ 4.18Å; K1049-F1060 HydrophobicContact CD-CB 4.37Å; K1049-F1060 HydrophobicContact CD-CD2 3.92Å; K1049-F1060 HydrophobicContact CD-CG 4.34Å; K1049-F1060 HydrophobicContact CG-CD2 4.48Å; L1051-F1060 HydrophobicContact CD1-CB 4.04Å; L1051-F1060 HydrophobicContact CD1-CD1 4.13Å; L1051-F1060 HydrophobicContact CD1-CG 4.28Å; S1056-F1060 PolarHBondContact O-N 3.17Å; S1056-F1060 VanDerWaalsContact O-N 3.16Å; A1057-F1060 PolarHBondContact O-N 3.45Å; I1058-F1060 VanDerWaalsContact C-N 3.31Å; I1058-F1060 PolarHBondContact O-N 3.28Å; F1060-H1062 VanDerWaalsContact C-N 3.3Å; F1060-H1062 PolarHBondContact O-N 3.44Å; F1060-E1063 WeakPolarHBondContact O-CB 3.41Å; F1060-E1063 PolarHBondContact O-N 3.39Å; F1060-E1063 VanDerWaalsContact O-N 3.1Å; F1060-V1064 HydrophobicContact CD1-CG2 4.49Å; F1060-V1064 HydrophobicContact CD2-CG1 4.15Å; F1060-V1064 HydrophobicContact CE1-CG1 4.36Å; F1060-V1064 HydrophobicContact CE1-CG2 4.11Å; F1060-V1064 HydrophobicContact CE2-CG1 3.57Å; F1060-V1064 HydrophobicContact CZ-CG1 3.7Å; F1060-V1064 HydrophobicContact CZ-CG2 4.23Å; F1060-V1064 WeakPolarHBondContact O-CG2 3.28Å; F1060-V1064 PolarHBondContact O-N 3.17Å; F1060-I1108 HydrophobicContact CD1-CB 4.1Å; F1060-I1108 HydrophobicContact CD1-CG2 3.95Å; F1060-I1108 HydrophobicContact CE1-CB 4.12Å; F1060-I1108 HydrophobicContact CE1-CG2 3.91Å; F1060-I1108 WeakPolarHBondContact CE1-O 3.24Å |
| 1061 | C | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -34.4 | 177.8 | -70.4 | 0 | 0 | 0 | 0 | 112.9 | A1057 I1058 G1065 Y1066 C1068 L1090 | A1057-C1061 PolarHBondContact O-N 3.3Å; A1057-C1061 PolarHBondContact O-SG 3.42Å; A1057-C1061 VanDerWaalsContact O-SG 3.32Å; I1058-C1061 PolarHBondContact O-N 3.46Å; I1058-C1061 VanDerWaalsContact O-N 3.12Å; C1061-G1065 CarbonylContact O-C 3.56Å; C1061-G1065 WeakPolarHBondContact O-CA 3.42Å; C1061-G1065 PolarHBondContact O-N 3.45Å; C1061-Y1066 HydrophobicContact CB-CE1 3.88Å; C1061-Y1066 HydrophobicContact CB-CE2 3.87Å; C1061-Y1066 VanDerWaalsContact CB-CZ 3.49Å; C1061-C1068 VanDerWaalsContact SG-CB 3.53Å; C1061-L1090 HydrophobicContact CB-CD2 4.24Å; C1061-L1090 VanDerWaalsContact SG-CD2 3.6Å |
| 1062 | H | 92.7 | Very high | 87.2 | Confident | 115 Ų | 115 | 41.4 Ų | 41.4 | 53% | 0.532 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 171.9 | -73.6 | -166.5 | 0 | 0 | 0 | 111.7 | I1058 A1059 F1060 D1087 | I1058-H1062 PolarHBondContact O-CD2 3.14Å; I1058-H1062 PolarHBondContact O-N 3.15Å; A1059-H1062 PolarHBondContact O-N 3.01Å; F1060-H1062 VanDerWaalsContact C-N 3.3Å; F1060-H1062 PolarHBondContact O-N 3.44Å; H1062-D1087 IonicContact CD2-OD1 3.48Å; H1062-D1087 PolarHBondContact CD2-OD1 3.3Å; H1062-D1087 IonicContact CE1-OD1 3.21Å; H1062-D1087 IonicContact CE1-OD2 2.72Å; H1062-D1087 PolarHBondContact CE1-OD2 2.91Å; H1062-D1087 IonicContact NE2-OD1 2.75Å; H1062-D1087 PolarHBondContact NE2-OD1 3.5Å; H1062-D1087 IonicContact NE2-OD2 3.09Å; H1062-D1087 PolarHBondContact NE2-OD2 3.07Å |
| 1063 | E | 93.8 | Very high | 87.6 | Confident | 110 Ų | 110 | 36 Ų | 36 | 51% | 0.514 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.7 | -44.9 | 178.6 | -166.8 | -159.3 | 143.1 | 0 | 0 | 112.7 | R1047 A1059 F1060 | R1047-E1063 IonicContact CZ-OE1 3.26Å; R1047-E1063 VanDerWaalsContact CZ-OE1 3.22Å; R1047-E1063 IonicContact NH1-OE1 3.07Å; R1047-E1063 PolarHBondContact NH1-OE1 3.11Å; R1047-E1063 IonicContact NH2-OE1 2.68Å; R1047-E1063 PolarHBondContact NH2-OE1 3.29Å; A1059-E1063 PolarHBondContact O-N 3.49Å; A1059-E1063 VanDerWaalsContact O-N 3.08Å; F1060-E1063 WeakPolarHBondContact O-CB 3.41Å; F1060-E1063 PolarHBondContact O-N 3.39Å; F1060-E1063 VanDerWaalsContact O-N 3.1Å |
| 1064 | V | 92.2 | Very high | 87.3 | Confident | 24 Ų | 24 | 35 Ų | 35 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -90.6 | -14.1 | -178.5 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | R1047 F1060 K1110 | R1047-V1064 HydrophobicContact CB-CG1 4.03Å; F1060-V1064 HydrophobicContact CD1-CG2 4.49Å; F1060-V1064 HydrophobicContact CD2-CG1 4.15Å; F1060-V1064 HydrophobicContact CE1-CG1 4.36Å; F1060-V1064 HydrophobicContact CE1-CG2 4.11Å; F1060-V1064 HydrophobicContact CE2-CG1 3.57Å; F1060-V1064 HydrophobicContact CZ-CG1 3.7Å; F1060-V1064 HydrophobicContact CZ-CG2 4.23Å; F1060-V1064 WeakPolarHBondContact O-CG2 3.28Å; F1060-V1064 PolarHBondContact O-N 3.17Å; V1064-K1110 HydrophobicContact CB-CB 4.32Å; V1064-K1110 HydrophobicContact CB-CD 4.31Å; V1064-K1110 HydrophobicContact CG2-CB 4.26Å; V1064-K1110 HydrophobicContact CG2-CD 4.16Å |
| 1065 | G | 91.5 | Very high | 86.4 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | trans | 74.3 | 147 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1061 C1068 K1110 | C1061-G1065 CarbonylContact O-C 3.56Å; C1061-G1065 WeakPolarHBondContact O-CA 3.42Å; C1061-G1065 PolarHBondContact O-N 3.45Å; G1065-C1068 PolarHBondContact O-SG 3.4Å; G1065-K1110 WeakPolarHBondContact O-CD 3.21Å; G1065-K1110 PolarHBondContact O-NZ 3.34Å | ||
| 1066 | Y | 90 | Very high | 85.3 | Confident | 56 Ų | 56 | 30.2 Ų | 30.2 | 22% | 0.22 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -71.3 | 157.9 | 173.3 | -76.1 | -75.3 | 0 | 0 | 0 | 113.2 | C1061 C1068 A1084 S1086 D1087 L1090 K1110 | C1061-Y1066 HydrophobicContact CB-CE1 3.88Å; C1061-Y1066 HydrophobicContact CB-CE2 3.87Å; C1061-Y1066 VanDerWaalsContact CB-CZ 3.49Å; Y1066-C1068 HydrophobicContact CD1-CB 4.29Å; Y1066-C1068 HydrophobicContact CE1-CB 4.4Å; Y1066-A1084 HydrophobicContact CD1-CB 4.47Å; Y1066-A1084 WeakPolarHBondContact CD1-O 3.41Å; Y1066-A1084 HydrophobicContact CE1-CB 3.92Å; Y1066-S1086 WeakPolarHBondContact CE1-O 3.47Å; Y1066-S1086 VanDerWaalsContact OH-C 3.26Å; Y1066-S1086 PolarHBondContact OH-O 2.9Å; Y1066-S1086 VanDerWaalsContact OH-O 3.07Å; Y1066-D1087 WeakPolarHBondContact CE2-OD1 3.42Å; Y1066-D1087 WeakPolarHBondContact OH-CA 3.13Å; Y1066-D1087 PolarHBondContact OH-N 3.28Å; Y1066-D1087 PolarHBondContact OH-OD1 2.96Å; Y1066-D1087 VanDerWaalsContact OH-OD1 3.06Å; Y1066-L1090 WeakPolarHBondContact OH-CD2 3.34Å; Y1066-K1110 VanDerWaalsContact C-NZ 3.26Å; Y1066-K1110 PolarHBondContact O-NZ 3.47Å |
| 1067 | P | 91.8 | Very high | 84.1 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | cis | -71.4 | 157 | -6.8 | 28.9 | -34.8 | 0 | 0 | 0 | 113.5 | V1083 A1084 K1110 F1111 T1113 | P1067-V1083 HydrophobicContact CB-CG1 3.59Å; P1067-V1083 HydrophobicContact CG-CG1 4.49Å; P1067-A1084 CarbonylContact C-O 3.59Å; P1067-A1084 VanDerWaalsContact CA-O 3.22Å; P1067-A1084 WeakPolarHBondContact CA-O 2.94Å; P1067-A1084 WeakPolarHBondContact CB-O 3.47Å; P1067-K1110 PolarHBondContact O-NZ 2.64Å; P1067-F1111 HydrophobicContact CB-CB 4.22Å; P1067-F1111 HydrophobicContact CB-CD1 4.3Å; P1067-F1111 HydrophobicContact CG-CB 4.14Å; P1067-F1111 HydrophobicContact CG-CD1 3.73Å; P1067-F1111 HydrophobicContact CG-CG 4.36Å; P1067-F1111 WeakPolarHBondContact O-CB 3.33Å; P1067-F1111 PolarHBondContact O-N 3.11Å; P1067-T1113 HydrophobicContact CG-CG2 3.81Å | ||
| 1068 | C | 92.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | C1061 G1065 Y1066 V1083 A1084 I1108 | C1061-C1068 VanDerWaalsContact SG-CB 3.53Å; G1065-C1068 PolarHBondContact O-SG 3.4Å; Y1066-C1068 HydrophobicContact CD1-CB 4.29Å; Y1066-C1068 HydrophobicContact CE1-CB 4.4Å; C1068-V1083 CarbonylContact O-C 3.4Å; C1068-V1083 WeakPolarHBondContact O-CA 3.34Å; C1068-A1084 PolarHBondContact N-O 3.28Å; C1068-A1084 PolarHBondContact O-N 3.09Å; C1068-I1108 HydrophobicContact CB-CG2 4.01Å |
| 1069 | L | 90.3 | Very high | 82.2 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.2 | -177.5 | -179.1 | 64.4 | 0 | 0 | 0 | 110.2 | R1071 M1081 V1083 I1108 S1109 F1111 V1263 | L1069-R1071 HydrophobicContact CD2-CG 3.77Å; L1069-R1071 HydrophobicContact CG-CG 3.63Å; L1069-M1081 HydrophobicContact CD1-CE 4Å; L1069-M1081 HydrophobicContact CD2-CE 3.94Å; L1069-M1081 HydrophobicContact CG-CE 4.26Å; L1069-V1083 HydrophobicContact CD1-CG2 3.95Å; L1069-I1108 WeakPolarHBondContact O-CA 3.28Å; L1069-S1109 PolarHBondContact N-O 3.26Å; L1069-S1109 PolarHBondContact O-N 3.13Å; L1069-F1111 HydrophobicContact CB-CB 4.3Å; L1069-F1111 HydrophobicContact CB-CD2 4.17Å; L1069-F1111 HydrophobicContact CD1-CD2 4.45Å; L1069-V1263 HydrophobicContact CD1-CB 4.32Å; L1069-V1263 HydrophobicContact CD1-CG1 4.01Å; L1069-V1263 HydrophobicContact CD1-CG2 4.06Å |
| 1070 | V | 87.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.8 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | M1081 N1082 L1090 L1094 A1097 V1106 | V1070-M1081 WeakPolarHBondContact O-CA 3.48Å; V1070-N1082 PolarHBondContact N-O 2.95Å; V1070-N1082 PolarHBondContact O-N 3.05Å; V1070-L1090 HydrophobicContact CG2-CD1 3.72Å; V1070-L1094 HydrophobicContact CG1-CD2 4.3Å; V1070-A1097 HydrophobicContact CG1-CB 4.42Å; V1070-V1106 HydrophobicContact CG1-CG1 3.4Å |
| 1071 | R | 85.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 28.4 Ų | 28.4 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 99.9 | -171.2 | -56 | -178 | 75.7 | -179.6 | -0.8 | 111.8 | L1069 M1081 V1107 I1196 E1197 | L1069-R1071 HydrophobicContact CD2-CG 3.77Å; L1069-R1071 HydrophobicContact CG-CG 3.63Å; R1071-M1081 HydrophobicContact CG-CE 4.15Å; R1071-V1107 WeakPolarHBondContact CA-O 3.46Å; R1071-V1107 WeakPolarHBondContact CB-O 3.34Å; R1071-V1107 PolarHBondContact N-O 3.44Å; R1071-V1107 PolarHBondContact O-N 2.82Å; R1071-V1107 VanDerWaalsContact O-N 3.09Å; R1071-I1196 PolarHBondContact NH1-O 2.95Å; R1071-I1196 PolarHBondContact NH2-O 3.4Å; R1071-E1197 IonicContact NH2-OE2 2.78Å; R1071-E1197 PolarHBondContact NH2-OE2 3.1Å |
| 1072 | P | 78.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | trans | -69.3 | 155.2 | 166.7 | 29.4 | -33.4 | 0 | 0 | 0 | 111.4 | V1075 A1079 A1080 M1081 | P1072-V1075 HydrophobicContact CB-CG2 3.65Å; P1072-V1075 HydrophobicContact CG-CB 4.26Å; P1072-V1075 HydrophobicContact CG-CG2 3.6Å; P1072-A1079 WeakPolarHBondContact CG-O 2.99Å; P1072-A1080 HydrophobicContact CG-CB 4.1Å; P1072-M1081 HydrophobicContact CG-CG 4.4Å | ||
| 1073 | S | 78.7 | Confident | 80.1 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -89.7 | 152.8 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | R1028 V1075 | R1028-S1073 PolarHBondContact N-OG 2.75Å; S1073-V1075 WeakPolarHBondContact O-CG2 3.46Å; S1073-V1075 PolarHBondContact O-N 2.97Å |
| 1074 | Y | 71.7 | Confident | 79.9 | Confident | 46 Ų | 46 | 20.7 Ų | 20.7 | 18% | 0.18 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 61.4 | 26.2 | 177.7 | -48 | -94.7 | 0 | 0 | 0 | 114.7 | D1023 E1026 N1027 K1104 | D1023-Y1074 WeakPolarHBondContact OD1-CE1 3.33Å; D1023-Y1074 PolarHBondContact OD1-OH 2.87Å; E1026-Y1074 HydrophobicContact CB-CD1 3.83Å; E1026-Y1074 HydrophobicContact CB-CE1 3.93Å; N1027-Y1074 HydrophobicContact CB-CE2 4.17Å; N1027-Y1074 WeakPolarHBondContact CB-OH 3.44Å; N1027-Y1074 PolarHBondContact ND2-OH 2.99Å; Y1074-K1104 HydrophobicContact CD2-CD 3.6Å; Y1074-K1104 HydrophobicContact CE2-CD 3.6Å |
| 1075 | V | 62.4 | Low | 79.6 | Confident | 43 Ų | 43 | 23.3 Ų | 23.3 | 26% | 0.261 | 13% | 0.133 | S | C | . | . | trans | -103.2 | 130.9 | -174.9 | -167.8 | 0 | 0 | 0 | 0 | 112 | P1072 S1073 A1079 | P1072-V1075 HydrophobicContact CB-CG2 3.65Å; P1072-V1075 HydrophobicContact CG-CB 4.26Å; P1072-V1075 HydrophobicContact CG-CG2 3.6Å; S1073-V1075 WeakPolarHBondContact O-CG2 3.46Å; S1073-V1075 PolarHBondContact O-N 2.97Å; V1075-A1079 HydrophobicContact CG1-CB 3.44Å; V1075-A1079 VanDerWaalsContact CG1-CB 3.44Å; V1075-A1079 WeakPolarHBondContact CG1-O 3.41Å | ||
| 1076 | L | 59.4 | Low | 79.4 | Confident | 29 Ų | 29 | 22.8 Ų | 22.8 | 15% | 0.152 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -82.6 | 145.6 | 175 | -173.5 | 58.3 | 0 | 0 | 0 | 111.3 | K924 Q998 G1078 A1079 | K924-L1076 HydrophobicContact CD-CD2 4.49Å; Q998-L1076 HydrophobicContact CB-CB 4.21Å; Q998-L1076 HydrophobicContact CB-CD1 3.87Å; Q998-L1076 HydrophobicContact CB-CD2 4.14Å; Q998-L1076 HydrophobicContact CB-CG 4.26Å; Q998-L1076 HydrophobicContact CG-CB 4.24Å; L1076-G1078 PolarHBondContact O-N 3.11Å; L1076-G1078 VanDerWaalsContact O-N 3.1Å; L1076-A1079 PolarHBondContact O-N 2.99Å |
| 1077 | S | 60.2 | Low | 79.4 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | 59.6 | 20.4 | 172.8 | -3.2 | 0 | 0 | 0 | 0 | 115.3 | I925 G926 A1079 H1144 M1265 | I925-S1077 WeakPolarHBondContact O-CB 3.44Å; I925-S1077 PolarHBondContact O-OG 2.93Å; G926-S1077 VanDerWaalsContact CA-OG 3.3Å; G926-S1077 WeakPolarHBondContact CA-OG 3.35Å; S1077-A1079 VanDerWaalsContact C-N 3.27Å; S1077-A1079 PolarHBondContact O-N 3.5Å; S1077-H1144 WeakPolarHBondContact CA-NE2 3.47Å; S1077-M1265 PolarHBondContact O-N 2.75Å |
| 1078 | G | 65.2 | Low | 79 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | 64.1 | 28.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1076 A1080 M1081 | L1076-G1078 PolarHBondContact O-N 3.11Å; L1076-G1078 VanDerWaalsContact O-N 3.1Å; G1078-A1080 PolarHBondContact O-N 3.12Å; G1078-M1081 VanDerWaalsContact CA-SD 3.57Å; G1078-M1081 VanDerWaalsContact O-CB 3.26Å; G1078-M1081 WeakPolarHBondContact O-CB 3.39Å; G1078-M1081 PolarHBondContact O-N 3.24Å |
| 1079 | A | 70.1 | Confident | 78.5 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 137.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1072 V1075 L1076 S1077 M1081 | P1072-A1079 WeakPolarHBondContact CG-O 2.99Å; V1075-A1079 HydrophobicContact CG1-CB 3.44Å; V1075-A1079 VanDerWaalsContact CG1-CB 3.44Å; V1075-A1079 WeakPolarHBondContact CG1-O 3.41Å; L1076-A1079 PolarHBondContact O-N 2.99Å; S1077-A1079 VanDerWaalsContact C-N 3.27Å; S1077-A1079 PolarHBondContact O-N 3.5Å; A1079-M1081 PolarHBondContact O-N 3.47Å |
| 1080 | A | 69.6 | Low | 78.2 | Confident | 22 Ų | 22 | 27 Ų | 27 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 3.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | P1072 G1078 N1082 A1100 | P1072-A1080 HydrophobicContact CG-CB 4.1Å; G1078-A1080 PolarHBondContact O-N 3.12Å; A1080-N1082 PolarHBondContact O-ND2 2.71Å; A1080-A1100 HydrophobicContact CB-CB 3.98Å |
| 1081 | M | 81.7 | Confident | 78.1 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 11% | 0.108 | 17% | 0.166 | C | C | . | . | trans | -74 | 131.7 | 168.3 | -70.5 | -179 | 53.6 | 0 | 0 | 110.3 | L1069 V1070 R1071 P1072 G1078 A1079 V1263 | L1069-M1081 HydrophobicContact CD1-CE 4Å; L1069-M1081 HydrophobicContact CD2-CE 3.94Å; L1069-M1081 HydrophobicContact CG-CE 4.26Å; V1070-M1081 WeakPolarHBondContact O-CA 3.48Å; R1071-M1081 HydrophobicContact CG-CE 4.15Å; P1072-M1081 HydrophobicContact CG-CG 4.4Å; G1078-M1081 VanDerWaalsContact CA-SD 3.57Å; G1078-M1081 VanDerWaalsContact O-CB 3.26Å; G1078-M1081 WeakPolarHBondContact O-CB 3.39Å; G1078-M1081 PolarHBondContact O-N 3.24Å; A1079-M1081 PolarHBondContact O-N 3.47Å; M1081-V1263 HydrophobicContact CB-CG2 4.06Å | ||
| 1082 | N | 83.5 | Confident | 77.7 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 150.6 | 178.9 | -77.5 | -76.6 | 0 | 0 | 0 | 111.7 | V1070 A1080 Y1093 | V1070-N1082 PolarHBondContact N-O 2.95Å; V1070-N1082 PolarHBondContact O-N 3.05Å; A1080-N1082 PolarHBondContact O-ND2 2.71Å; N1082-Y1093 HydrophobicContact CB-CD1 3.63Å; N1082-Y1093 HydrophobicContact CB-CD2 3.55Å; N1082-Y1093 HydrophobicContact CB-CE1 3.92Å; N1082-Y1093 HydrophobicContact CB-CE2 3.81Å; N1082-Y1093 HydrophobicContact CB-CG 3.47Å; N1082-Y1093 VanDerWaalsContact CB-CG 3.47Å; N1082-Y1093 VanDerWaalsContact CG-CD1 3.48Å |
| 1083 | V | 87.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107.7 | 174 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | P1067 C1068 L1069 H1085 F1111 V1263 | P1067-V1083 HydrophobicContact CB-CG1 3.59Å; P1067-V1083 HydrophobicContact CG-CG1 4.49Å; C1068-V1083 CarbonylContact O-C 3.4Å; C1068-V1083 WeakPolarHBondContact O-CA 3.34Å; L1069-V1083 HydrophobicContact CD1-CG2 3.95Å; V1083-H1085 PolarHBondContact O-CD2 3.43Å; V1083-F1111 HydrophobicContact CG1-CB 4.33Å; V1083-F1111 HydrophobicContact CG1-CD1 4.14Å; V1083-F1111 HydrophobicContact CG1-CD2 4.19Å; V1083-F1111 HydrophobicContact CG1-CE1 4.47Å; V1083-F1111 HydrophobicContact CG1-CG 3.96Å; V1083-F1111 HydrophobicContact CG2-CD2 3.76Å; V1083-F1111 HydrophobicContact CG2-CE2 3.63Å; V1083-F1111 HydrophobicContact CG2-CG 4.38Å; V1083-F1111 HydrophobicContact CG2-CZ 4.14Å; V1083-V1263 HydrophobicContact CG2-CG1 3.74Å; V1083-V1263 HydrophobicContact CG2-CG2 4.12Å |
| 1084 | A | 88.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y1066 P1067 C1068 E1089 L1090 Y1093 | Y1066-A1084 HydrophobicContact CD1-CB 4.47Å; Y1066-A1084 WeakPolarHBondContact CD1-O 3.41Å; Y1066-A1084 HydrophobicContact CE1-CB 3.92Å; P1067-A1084 CarbonylContact C-O 3.59Å; P1067-A1084 VanDerWaalsContact CA-O 3.22Å; P1067-A1084 WeakPolarHBondContact CA-O 2.94Å; P1067-A1084 WeakPolarHBondContact CB-O 3.47Å; C1068-A1084 PolarHBondContact N-O 3.28Å; C1068-A1084 PolarHBondContact O-N 3.09Å; A1084-E1089 HydrophobicContact CB-CB 4.35Å; A1084-L1090 HydrophobicContact CB-CB 3.93Å; A1084-L1090 HydrophobicContact CB-CD1 4.25Å; A1084-Y1093 HydrophobicContact CB-CD2 4.11Å; A1084-Y1093 HydrophobicContact CB-CE2 4.43Å |
| 1085 | H | 86.4 | Confident | 77.7 | Confident | 79 Ų | 79 | 39 Ų | 39 | 37% | 0.366 | 21% | 0.208 | S | C | . | . | trans | -111.4 | -9.9 | 174.6 | -65.2 | -93.5 | 0 | 0 | 0 | 113.2 | V1083 E1089 | V1083-H1085 PolarHBondContact O-CD2 3.43Å; H1085-E1089 WeakPolarHBondContact CB-OE2 3.26Å; H1085-E1089 IonicContact CD2-OE2 3.77Å; H1085-E1089 IonicContact CG-OE2 2.94Å; H1085-E1089 PolarHBondContact N-OE2 2.87Å | ||
| 1086 | S | 87.5 | Confident | 78 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 12% | 0.119 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -148.8 | 172.4 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 112 | Y1066 E1088 E1089 L1090 | Y1066-S1086 WeakPolarHBondContact CE1-O 3.47Å; Y1066-S1086 VanDerWaalsContact OH-C 3.26Å; Y1066-S1086 PolarHBondContact OH-O 2.9Å; Y1066-S1086 VanDerWaalsContact OH-O 3.07Å; S1086-E1088 VanDerWaalsContact C-N 3.35Å; S1086-E1089 PolarHBondContact OG-N 3.25Å; S1086-L1090 WeakPolarHBondContact O-CB 3.48Å; S1086-L1090 PolarHBondContact O-N 2.96Å; S1086-L1090 VanDerWaalsContact O-N 3.11Å |
| 1087 | D | 89.9 | Confident | 78.4 | Confident | 37 Ų | 37 | 40.4 Ų | 40.4 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 176.7 | -68.6 | 0.8 | 0 | 0 | 0 | 111.4 | I1058 H1062 Y1066 L1090 K1091 | I1058-D1087 HydrophobicContact CG1-CB 4.5Å; I1058-D1087 WeakPolarHBondContact CG2-OD2 3.16Å; H1062-D1087 IonicContact CD2-OD1 3.48Å; H1062-D1087 PolarHBondContact CD2-OD1 3.3Å; H1062-D1087 IonicContact CE1-OD1 3.21Å; H1062-D1087 IonicContact CE1-OD2 2.72Å; H1062-D1087 PolarHBondContact CE1-OD2 2.91Å; H1062-D1087 IonicContact NE2-OD1 2.75Å; H1062-D1087 PolarHBondContact NE2-OD1 3.5Å; H1062-D1087 IonicContact NE2-OD2 3.09Å; H1062-D1087 PolarHBondContact NE2-OD2 3.07Å; Y1066-D1087 WeakPolarHBondContact CE2-OD1 3.42Å; Y1066-D1087 WeakPolarHBondContact OH-CA 3.13Å; Y1066-D1087 PolarHBondContact OH-N 3.28Å; Y1066-D1087 PolarHBondContact OH-OD1 2.96Å; Y1066-D1087 VanDerWaalsContact OH-OD1 3.06Å; D1087-L1090 PolarHBondContact O-N 2.99Å; D1087-K1091 WeakPolarHBondContact O-CG 3.35Å; D1087-K1091 PolarHBondContact O-N 3.41Å |
| 1088 | E | 82.7 | Confident | 78.6 | Confident | 130 Ų | 130 | 44.2 Ų | 44.2 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.7 | -47.5 | 178.6 | -70.2 | 70.6 | -155.4 | 0 | 0 | 111.8 | S1086 L1090 K1091 E1092 | S1086-E1088 VanDerWaalsContact C-N 3.35Å; E1088-L1090 VanDerWaalsContact C-N 3.29Å; E1088-L1090 PolarHBondContact O-N 3.02Å; E1088-K1091 PolarHBondContact O-N 2.72Å; E1088-E1092 PolarHBondContact O-N 3.21Å; E1088-E1092 VanDerWaalsContact O-N 3.17Å |
| 1089 | E | 81.8 | Confident | 78.3 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 176.6 | -73.9 | 177.7 | -163.9 | 0 | 0 | 111.1 | A1084 H1085 S1086 K1091 E1092 Y1093 | A1084-E1089 HydrophobicContact CB-CB 4.35Å; H1085-E1089 WeakPolarHBondContact CB-OE2 3.26Å; H1085-E1089 IonicContact CD2-OE2 3.77Å; H1085-E1089 IonicContact CG-OE2 2.94Å; H1085-E1089 PolarHBondContact N-OE2 2.87Å; S1086-E1089 PolarHBondContact OG-N 3.25Å; E1089-K1091 PolarHBondContact O-N 3.22Å; E1089-E1092 PolarHBondContact O-N 3.06Å; E1089-Y1093 HydrophobicContact CB-CD2 4.3Å; E1089-Y1093 HydrophobicContact CB-CE2 3.86Å; E1089-Y1093 WeakPolarHBondContact O-CD2 3.4Å; E1089-Y1093 VanDerWaalsContact O-CG 3.26Å; E1089-Y1093 PolarHBondContact O-N 3.07Å |
| 1090 | L | 85.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.6 | 178.8 | 64.3 | 0 | 0 | 0 | 112.3 | A1057 I1058 C1061 Y1066 V1070 A1084 S1086 D1087 E1088 Y1093 L1094 I1108 | A1057-L1090 HydrophobicContact CB-CD2 4.02Å; I1058-L1090 HydrophobicContact CG1-CD2 3.93Å; C1061-L1090 HydrophobicContact CB-CD2 4.24Å; C1061-L1090 VanDerWaalsContact SG-CD2 3.6Å; Y1066-L1090 WeakPolarHBondContact OH-CD2 3.34Å; V1070-L1090 HydrophobicContact CG2-CD1 3.72Å; A1084-L1090 HydrophobicContact CB-CB 3.93Å; A1084-L1090 HydrophobicContact CB-CD1 4.25Å; S1086-L1090 WeakPolarHBondContact O-CB 3.48Å; S1086-L1090 PolarHBondContact O-N 2.96Å; S1086-L1090 VanDerWaalsContact O-N 3.11Å; D1087-L1090 PolarHBondContact O-N 2.99Å; E1088-L1090 VanDerWaalsContact C-N 3.29Å; E1088-L1090 PolarHBondContact O-N 3.02Å; L1090-Y1093 PolarHBondContact O-N 2.74Å; L1090-L1094 HydrophobicContact CD1-CD1 4.07Å; L1090-L1094 HydrophobicContact CD1-CG 4.14Å; L1090-L1094 HydrophobicContact CG-CD1 3.98Å; L1090-L1094 HydrophobicContact CG-CG 4.46Å; L1090-L1094 WeakPolarHBondContact O-CB 3.47Å; L1090-L1094 VanDerWaalsContact O-CG 3.32Å; L1090-L1094 WeakPolarHBondContact O-CG 3.37Å; L1090-L1094 PolarHBondContact O-N 2.69Å; L1090-I1108 HydrophobicContact CD1-CD1 3.73Å |
| 1091 | K | 83.7 | Confident | 76.6 | Confident | 96 Ų | 96 | 48.4 Ų | 48.4 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.4 | -72.7 | 176.4 | -177.3 | 174.4 | 0 | 111.9 | V1054 I1058 D1087 E1088 E1089 T1095 | V1054-K1091 HydrophobicContact CG1-CD 4.39Å; V1054-K1091 HydrophobicContact CG1-CG 3.59Å; I1058-K1091 HydrophobicContact CD1-CD 4.47Å; I1058-K1091 HydrophobicContact CD1-CG 4.29Å; D1087-K1091 WeakPolarHBondContact O-CG 3.35Å; D1087-K1091 PolarHBondContact O-N 3.41Å; E1088-K1091 PolarHBondContact O-N 2.72Å; E1089-K1091 PolarHBondContact O-N 3.22Å; K1091-T1095 PolarHBondContact O-N 2.86Å; K1091-T1095 PolarHBondContact O-OG1 3.13Å |
| 1092 | E | 77.7 | Confident | 75.1 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 178.5 | -172 | 175.9 | 179.5 | 0 | 0 | 111 | E1088 E1089 L1094 T1095 L1096 | E1088-E1092 PolarHBondContact O-N 3.21Å; E1088-E1092 VanDerWaalsContact O-N 3.17Å; E1089-E1092 PolarHBondContact O-N 3.06Å; E1092-L1094 PolarHBondContact O-N 3.42Å; E1092-T1095 WeakPolarHBondContact O-CB 3.48Å; E1092-T1095 PolarHBondContact O-N 3.5Å; E1092-L1096 PolarHBondContact O-N 3.35Å; E1092-L1096 VanDerWaalsContact O-N 3.11Å |
| 1093 | Y | 78.9 | Confident | 73.6 | Confident | 23 Ų | 23 | 60 Ų | 60 | 9% | 0.09 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.8 | -36.1 | -179.4 | -62.6 | -38.5 | 0 | 0 | 0 | 113.8 | N1082 A1084 E1089 L1090 T1095 L1096 A1097 | N1082-Y1093 HydrophobicContact CB-CD1 3.63Å; N1082-Y1093 HydrophobicContact CB-CD2 3.55Å; N1082-Y1093 HydrophobicContact CB-CE1 3.92Å; N1082-Y1093 HydrophobicContact CB-CE2 3.81Å; N1082-Y1093 HydrophobicContact CB-CG 3.47Å; N1082-Y1093 VanDerWaalsContact CB-CG 3.47Å; N1082-Y1093 VanDerWaalsContact CG-CD1 3.48Å; A1084-Y1093 HydrophobicContact CB-CD2 4.11Å; A1084-Y1093 HydrophobicContact CB-CE2 4.43Å; E1089-Y1093 HydrophobicContact CB-CD2 4.3Å; E1089-Y1093 HydrophobicContact CB-CE2 3.86Å; E1089-Y1093 WeakPolarHBondContact O-CD2 3.4Å; E1089-Y1093 VanDerWaalsContact O-CG 3.26Å; E1089-Y1093 PolarHBondContact O-N 3.07Å; L1090-Y1093 PolarHBondContact O-N 2.74Å; Y1093-T1095 VanDerWaalsContact C-N 3.3Å; Y1093-T1095 PolarHBondContact O-N 2.72Å; Y1093-L1096 HydrophobicContact CD1-CD1 4.25Å; Y1093-L1096 PolarHBondContact O-N 3.43Å; Y1093-A1097 VanDerWaalsContact O-CB 3.3Å; Y1093-A1097 WeakPolarHBondContact O-CB 3.44Å; Y1093-A1097 PolarHBondContact O-N 2.97Å |
| 1094 | L | 78.1 | Confident | 72.2 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 173.9 | -76.1 | 171.4 | 0 | 0 | 0 | 111.6 | V1054 A1057 V1070 L1090 E1092 A1097 L1098 V1106 I1108 | V1054-L1094 HydrophobicContact CB-CD1 4.49Å; V1054-L1094 HydrophobicContact CG2-CD1 4.18Å; A1057-L1094 HydrophobicContact CB-CD1 3.61Å; V1070-L1094 HydrophobicContact CG1-CD2 4.3Å; L1090-L1094 HydrophobicContact CD1-CD1 4.07Å; L1090-L1094 HydrophobicContact CD1-CG 4.14Å; L1090-L1094 HydrophobicContact CG-CD1 3.98Å; L1090-L1094 HydrophobicContact CG-CG 4.46Å; L1090-L1094 WeakPolarHBondContact O-CB 3.47Å; L1090-L1094 VanDerWaalsContact O-CG 3.32Å; L1090-L1094 WeakPolarHBondContact O-CG 3.37Å; L1090-L1094 PolarHBondContact O-N 2.69Å; E1092-L1094 PolarHBondContact O-N 3.42Å; L1094-A1097 PolarHBondContact O-N 3.43Å; L1094-L1098 VanDerWaalsContact O-CB 3.32Å; L1094-L1098 WeakPolarHBondContact O-CB 3.2Å; L1094-L1098 WeakPolarHBondContact O-CD1 3.22Å; L1094-L1098 WeakPolarHBondContact O-CG 3.31Å; L1094-L1098 PolarHBondContact O-N 3.34Å; L1094-V1106 HydrophobicContact CD2-CB 4.43Å; L1094-V1106 HydrophobicContact CD2-CG1 4.31Å; L1094-I1108 HydrophobicContact CD2-CD1 4.38Å |
| 1095 | T | 72.9 | Confident | 71.1 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 176.6 | -52 | 0 | 0 | 0 | 0 | 111.1 | K1091 E1092 Y1093 G1099 | K1091-T1095 PolarHBondContact O-N 2.86Å; K1091-T1095 PolarHBondContact O-OG1 3.13Å; E1092-T1095 WeakPolarHBondContact O-CB 3.48Å; E1092-T1095 PolarHBondContact O-N 3.5Å; Y1093-T1095 VanDerWaalsContact C-N 3.3Å; Y1093-T1095 PolarHBondContact O-N 2.72Å; T1095-G1099 PolarHBondContact O-N 3.3Å |
| 1096 | L | 68.2 | Low | 70.6 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 175.1 | -71.2 | 167.3 | 0 | 0 | 0 | 112.6 | E1092 Y1093 G1099 A1100 | E1092-L1096 PolarHBondContact O-N 3.35Å; E1092-L1096 VanDerWaalsContact O-N 3.11Å; Y1093-L1096 HydrophobicContact CD1-CD1 4.25Å; Y1093-L1096 PolarHBondContact O-N 3.43Å; L1096-G1099 PolarHBondContact O-N 3.36Å; L1096-A1100 PolarHBondContact O-N 3.23Å |
| 1097 | A | 66.9 | Low | 70.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.7 | -41 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1070 Y1093 L1094 G1099 A1100 S1101 V1106 | V1070-A1097 HydrophobicContact CG1-CB 4.42Å; Y1093-A1097 VanDerWaalsContact O-CB 3.3Å; Y1093-A1097 WeakPolarHBondContact O-CB 3.44Å; Y1093-A1097 PolarHBondContact O-N 2.97Å; L1094-A1097 PolarHBondContact O-N 3.43Å; A1097-G1099 VanDerWaalsContact C-N 3.27Å; A1097-G1099 PolarHBondContact O-N 2.88Å; A1097-A1100 WeakPolarHBondContact O-CB 3.48Å; A1097-A1100 PolarHBondContact O-N 3.5Å; A1097-S1101 PolarHBondContact O-N 3.31Å; A1097-S1101 VanDerWaalsContact O-N 3.1Å; A1097-S1101 PolarHBondContact O-OG 2.92Å; A1097-V1106 HydrophobicContact CB-CG2 3.97Å |
| 1098 | L | 64.9 | Low | 70.7 | Confident | 89 Ų | 89 | 59.1 Ų | 59.1 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -35.4 | 175.1 | -74.7 | 166.9 | 0 | 0 | 0 | 111.9 | L1094 A1100 S1101 | L1094-L1098 VanDerWaalsContact O-CB 3.32Å; L1094-L1098 WeakPolarHBondContact O-CB 3.2Å; L1094-L1098 WeakPolarHBondContact O-CD1 3.22Å; L1094-L1098 WeakPolarHBondContact O-CG 3.31Å; L1094-L1098 PolarHBondContact O-N 3.34Å; L1098-A1100 VanDerWaalsContact C-N 3.31Å; L1098-S1101 CarbonylContact O-C 3.6Å |
| 1099 | G | 58.8 | Low | 71.1 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.9 | -24.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1095 L1096 A1097 | T1095-G1099 PolarHBondContact O-N 3.3Å; L1096-G1099 PolarHBondContact O-N 3.36Å; A1097-G1099 VanDerWaalsContact C-N 3.27Å; A1097-G1099 PolarHBondContact O-N 2.88Å |
| 1100 | A | 53.5 | Low | 71.7 | Confident | 70 Ų | 70 | 55 Ų | 55 | 58% | 0.579 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.9 | -27 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A1080 L1096 A1097 L1098 | A1080-A1100 HydrophobicContact CB-CB 3.98Å; L1096-A1100 PolarHBondContact O-N 3.23Å; A1097-A1100 WeakPolarHBondContact O-CB 3.48Å; A1097-A1100 PolarHBondContact O-N 3.5Å; L1098-A1100 VanDerWaalsContact C-N 3.31Å |
| 1101 | S | 51.6 | Low | 72 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | trans | -124.7 | 83.2 | 178.7 | 67 | 0 | 0 | 0 | 0 | 111.5 | A1097 L1098 D1103 K1104 | A1097-S1101 PolarHBondContact O-N 3.31Å; A1097-S1101 VanDerWaalsContact O-N 3.1Å; A1097-S1101 PolarHBondContact O-OG 2.92Å; L1098-S1101 CarbonylContact O-C 3.6Å; S1101-D1103 PolarHBondContact O-N 2.93Å; S1101-K1104 PolarHBondContact O-N 3.48Å; S1101-K1104 PolarHBondContact OG-O 3.39Å; S1101-K1104 VanDerWaalsContact OG-O 3.11Å | ||
| 1102 | N | 50.1 | Low | 72.3 | Confident | 143 Ų | 143 | 53.4 Ų | 53.4 | 77% | 0.765 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.9 | -174.8 | -82.3 | -13.8 | 0 | 0 | 0 | 115.4 | ||
| 1103 | D | 51.4 | Low | 72.8 | Confident | 160 Ų | 160 | 52 Ų | 52 | 86% | 0.856 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | 7.6 | -175.1 | -80 | -33.3 | 0 | 0 | 0 | 115.2 | S1101 | S1101-D1103 PolarHBondContact O-N 2.93Š|
| 1104 | K | 58.7 | Low | 73 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -131.8 | 132.1 | -171.4 | -62.2 | -178.1 | -178.3 | 173.4 | 0 | 112.8 | Y1074 S1101 | Y1074-K1104 HydrophobicContact CD2-CD 3.6Å; Y1074-K1104 HydrophobicContact CE2-CD 3.6Å; S1101-K1104 PolarHBondContact O-N 3.48Å; S1101-K1104 PolarHBondContact OG-O 3.39Å; S1101-K1104 VanDerWaalsContact OG-O 3.11Å | ||
| 1105 | P | 64 | Low | 73.6 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -65 | 152.1 | 174.9 | 26 | -32.7 | 0 | 0 | 0 | 111.9 | E1050 V1052 | E1050-P1105 HydrophobicContact CG-CB 3.99Å; E1050-P1105 HydrophobicContact CG-CG 4.2Å; E1050-P1105 WeakPolarHBondContact OE1-CG 3.17Å; V1052-P1105 HydrophobicContact CG1-CB 4.38Å |
| 1106 | V | 77.1 | Confident | 74.5 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.8 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | L1051 V1070 L1094 A1097 | L1051-V1106 PolarHBondContact N-O 3.26Å; V1070-V1106 HydrophobicContact CG1-CG1 3.4Å; L1094-V1106 HydrophobicContact CD2-CB 4.43Å; L1094-V1106 HydrophobicContact CD2-CG1 4.31Å; A1097-V1106 HydrophobicContact CB-CG2 3.97Å |
| 1107 | V | 87.8 | Confident | 75.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.2 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | R1028 W1048 E1050 R1071 | R1028-V1107 HydrophobicContact CB-CB 4.05Å; R1028-V1107 HydrophobicContact CB-CG2 3.81Å; W1048-V1107 HydrophobicContact CB-CG1 4.45Å; W1048-V1107 HydrophobicContact CE3-CG1 3.82Å; E1050-V1107 HydrophobicContact CB-CG2 4.46Å; R1071-V1107 WeakPolarHBondContact CA-O 3.46Å; R1071-V1107 WeakPolarHBondContact CB-O 3.34Å; R1071-V1107 PolarHBondContact N-O 3.44Å; R1071-V1107 PolarHBondContact O-N 2.82Å; R1071-V1107 VanDerWaalsContact O-N 3.09Å |
| 1108 | I | 90.7 | Very high | 77.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.1 | 172.9 | -51.6 | -170.8 | 0 | 0 | 0 | 109.3 | W1048 K1049 L1051 A1057 F1060 C1068 L1069 L1090 L1094 | W1048-I1108 CarbonylContact C-O 3.59Å; W1048-I1108 WeakPolarHBondContact CA-O 3.45Å; K1049-I1108 PolarHBondContact N-O 2.88Å; K1049-I1108 PolarHBondContact O-N 3.24Å; L1051-I1108 HydrophobicContact CD1-CB 3.87Å; L1051-I1108 HydrophobicContact CD1-CD1 3.59Å; L1051-I1108 HydrophobicContact CD1-CG1 3.71Å; A1057-I1108 HydrophobicContact CB-CD1 3.5Å; A1057-I1108 VanDerWaalsContact CB-CD1 3.5Å; F1060-I1108 HydrophobicContact CD1-CB 4.1Å; F1060-I1108 HydrophobicContact CD1-CG2 3.95Å; F1060-I1108 HydrophobicContact CE1-CB 4.12Å; F1060-I1108 HydrophobicContact CE1-CG2 3.91Å; F1060-I1108 WeakPolarHBondContact CE1-O 3.24Å; C1068-I1108 HydrophobicContact CB-CG2 4.01Å; L1069-I1108 WeakPolarHBondContact O-CA 3.28Å; L1090-I1108 HydrophobicContact CD1-CD1 3.73Å; L1094-I1108 HydrophobicContact CD2-CD1 4.38Å |
| 1109 | S | 92.2 | Very high | 78.6 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.8 | 175.9 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | R1047 L1069 F1111 | R1047-S1109 CarbonylContact O-C 3.33Å; R1047-S1109 WeakPolarHBondContact O-CA 3.27Å; L1069-S1109 PolarHBondContact N-O 3.26Å; L1069-S1109 PolarHBondContact O-N 3.13Å; S1109-F1111 PolarHBondContact O-N 3.04Å |
| 1110 | K | 94.2 | Very high | 80.5 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 21% | 0.213 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 123.5 | 172.3 | 175.9 | 57.2 | -173.7 | 163.2 | 0 | 110 | P1046 R1047 V1064 G1065 Y1066 P1067 | P1046-K1110 WeakPolarHBondContact CB-O 3.42Å; R1047-K1110 HydrophobicContact CB-CB 4.42Å; R1047-K1110 PolarHBondContact O-N 3.11Å; V1064-K1110 HydrophobicContact CB-CB 4.32Å; V1064-K1110 HydrophobicContact CB-CD 4.31Å; V1064-K1110 HydrophobicContact CG2-CB 4.26Å; V1064-K1110 HydrophobicContact CG2-CD 4.16Å; G1065-K1110 WeakPolarHBondContact O-CD 3.21Å; G1065-K1110 PolarHBondContact O-NZ 3.34Å; Y1066-K1110 VanDerWaalsContact C-NZ 3.26Å; Y1066-K1110 PolarHBondContact O-NZ 3.47Å; P1067-K1110 PolarHBondContact O-NZ 2.64Å |
| 1111 | F | 91.2 | Very high | 82.6 | Confident | 33 Ų | 33 | 38 Ų | 38 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | trans | -83.3 | 123.3 | 173.6 | -173.6 | -92.3 | 0 | 0 | 0 | 109.8 | P1067 L1069 V1083 S1109 T1113 V1263 | P1067-F1111 HydrophobicContact CB-CB 4.22Å; P1067-F1111 HydrophobicContact CB-CD1 4.3Å; P1067-F1111 HydrophobicContact CG-CB 4.14Å; P1067-F1111 HydrophobicContact CG-CD1 3.73Å; P1067-F1111 HydrophobicContact CG-CG 4.36Å; P1067-F1111 WeakPolarHBondContact O-CB 3.33Å; P1067-F1111 PolarHBondContact O-N 3.11Å; L1069-F1111 HydrophobicContact CB-CB 4.3Å; L1069-F1111 HydrophobicContact CB-CD2 4.17Å; L1069-F1111 HydrophobicContact CD1-CD2 4.45Å; V1083-F1111 HydrophobicContact CG1-CB 4.33Å; V1083-F1111 HydrophobicContact CG1-CD1 4.14Å; V1083-F1111 HydrophobicContact CG1-CD2 4.19Å; V1083-F1111 HydrophobicContact CG1-CE1 4.47Å; V1083-F1111 HydrophobicContact CG1-CG 3.96Å; V1083-F1111 HydrophobicContact CG2-CD2 3.76Å; V1083-F1111 HydrophobicContact CG2-CE2 3.63Å; V1083-F1111 HydrophobicContact CG2-CG 4.38Å; V1083-F1111 HydrophobicContact CG2-CZ 4.14Å; S1109-F1111 PolarHBondContact O-N 3.04Å; F1111-T1113 HydrophobicContact CD1-CG2 3.85Å; F1111-T1113 HydrophobicContact CE1-CG2 3.94Å; F1111-V1263 HydrophobicContact CE2-CG1 3.87Å | ||
| 1112 | I | 90 | Very high | 84.8 | Confident | 30 Ų | 30 | 37 Ų | 37 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | trans | -96.5 | 111.9 | -177.6 | -55.6 | 175.3 | 0 | 0 | 0 | 108.3 | P1046 A1115 I1187 K1189 | P1046-I1112 HydrophobicContact CB-CD1 4.36Å; P1046-I1112 HydrophobicContact CG-CD1 4.06Å; I1112-A1115 HydrophobicContact CG2-CB 3.92Å; I1112-I1187 HydrophobicContact CB-CD1 3.77Å; I1112-I1187 HydrophobicContact CD1-CD1 4.37Å; I1112-I1187 HydrophobicContact CD1-CG2 4.13Å; I1112-I1187 HydrophobicContact CG2-CD1 4.16Å; I1112-K1189 HydrophobicContact CG2-CD 3.94Å | ||
| 1113 | T | 87.1 | Confident | 87.1 | Confident | 63 Ų | 63 | 30.2 Ų | 30.2 | 39% | 0.387 | 15% | 0.154 | S | C | . | . | trans | -83.9 | 156.4 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | P1067 F1111 A1115 K1189 | P1067-T1113 HydrophobicContact CG-CG2 3.81Å; F1111-T1113 HydrophobicContact CD1-CG2 3.85Å; F1111-T1113 HydrophobicContact CE1-CG2 3.94Å; T1113-A1115 VanDerWaalsContact C-N 3.26Å; T1113-A1115 PolarHBondContact O-N 3.02Å; T1113-K1189 PolarHBondContact O-NZ 2.99Å | ||
| 1114 | E | 84.9 | Confident | 89.4 | Confident | 85 Ų | 85 | 22.6 Ų | 22.6 | 40% | 0.397 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 57.2 | 38.8 | 172 | -52.4 | -73 | 142.5 | 0 | 0 | 113.2 | K1306 | E1114-K1306 IonicContact OE1-NZ 2.66Å; E1114-K1306 PolarHBondContact OE1-NZ 2.83Å; E1114-K1306 IonicContact OE2-NZ 3.7Å; E1114-K1306 PolarHBondContact OE2-NZ 2.89Å |
| 1115 | A | 90.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | trans | -113.7 | 159.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1112 T1113 A1141 I1187 K1189 | I1112-A1115 HydrophobicContact CG2-CB 3.92Å; T1113-A1115 VanDerWaalsContact C-N 3.26Å; T1113-A1115 PolarHBondContact O-N 3.02Å; A1115-A1141 HydrophobicContact CB-CB 4.18Å; A1115-A1141 WeakPolarHBondContact O-CB 3.26Å; A1115-A1141 PolarHBondContact O-N 3.07Å; A1115-I1187 HydrophobicContact CB-CD1 3.63Å; A1115-I1187 HydrophobicContact CB-CG1 3.31Å; A1115-K1189 HydrophobicContact CB-CB 3.86Å; A1115-K1189 HydrophobicContact CB-CD 4.11Å; A1115-K1189 HydrophobicContact CB-CG 4.36Å | ||
| 1116 | K | 91.4 | Very high | 92.7 | Very high | 54 Ų | 54 | 22.4 Ų | 22.4 | 24% | 0.235 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.5 | 173.3 | -174.1 | 166.4 | -178.2 | 175.3 | 0 | 109.3 | E1136 D1156 I1187 A1188 | K1116-E1136 WeakPolarHBondContact CE-OE2 3.37Å; K1116-E1136 IonicContact NZ-OE2 2.66Å; K1116-E1136 PolarHBondContact NZ-OE2 3.29Å; K1116-D1156 VanDerWaalsContact NZ-CB 3.26Å; K1116-D1156 PolarHBondContact NZ-O 3.47Å; K1116-I1187 WeakPolarHBondContact O-CA 3.37Å; K1116-A1188 PolarHBondContact N-O 3.27Å; K1116-A1188 PolarHBondContact O-N 3.49Å |
| 1117 | E | 94.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 139.8 | 174.2 | -165.9 | 167.8 | 152.5 | 0 | 0 | 109.7 | H1137 A1141 G1142 L1186 I1196 | E1117-H1137 HydrophobicContact CB-CB 4.12Å; E1117-H1137 PolarHBondContact O-N 3Å; E1117-H1137 VanDerWaalsContact O-N 3.12Å; E1117-H1137 IonicContact OE1-CE1 3.43Å; E1117-H1137 PolarHBondContact OE1-CE1 3.42Å; E1117-H1137 IonicContact OE1-ND1 3.04Å; E1117-H1137 IonicContact OE1-NE2 3.63Å; E1117-H1137 IonicContact OE2-ND1 3.64Å; E1117-A1141 HydrophobicContact CB-CB 4.02Å; E1117-A1141 WeakPolarHBondContact OE2-CA 3.1Å; E1117-G1142 PolarHBondContact OE2-N 3.25Å; E1117-L1186 CarbonylContact C-O 3.56Å; E1117-L1186 WeakPolarHBondContact CA-O 3.3Å; E1117-I1196 HydrophobicContact CG-CD1 4.21Å |
| 1118 | I | 95.5 | Very high | 94 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.7 | -175.6 | -57 | 174.4 | 0 | 0 | 0 | 106.9 | V1120 I1134 I1157 T1161 I1165 L1186 A1188 L1193 | I1118-V1120 HydrophobicContact CG2-CG2 4.33Å; I1118-I1134 HydrophobicContact CG2-CG2 3.52Å; I1118-I1157 HydrophobicContact CD1-CD1 4.12Å; I1118-I1157 HydrophobicContact CG1-CD1 4.5Å; I1118-I1157 HydrophobicContact CG2-CD1 4.28Å; I1118-T1161 HydrophobicContact CD1-CG2 4.29Å; I1118-I1165 HydrophobicContact CD1-CD1 3.9Å; I1118-I1165 HydrophobicContact CG2-CD1 4.11Å; I1118-L1186 HydrophobicContact CB-CB 4.3Å; I1118-L1186 PolarHBondContact N-O 2.97Å; I1118-L1186 PolarHBondContact O-N 3.07Å; I1118-A1188 HydrophobicContact CD1-CB 3.94Å; I1118-L1193 HydrophobicContact CD1-CD1 4.32Å |
| 1119 | D | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.5 | -179.6 | -154.7 | -34.1 | 0 | 0 | 0 | 109.2 | S1135 S1145 N1183 | D1119-S1135 PolarHBondContact N-O 2.92Å; D1119-S1135 PolarHBondContact O-N 3.48Å; D1119-S1145 WeakPolarHBondContact OD2-CB 3.46Å; D1119-N1183 PolarHBondContact OD1-ND2 2.79Å |
| 1120 | V | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 115 | -178.5 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | I1118 W1132 A1133 I1134 I1165 V1169 N1183 M1184 L1186 | I1118-V1120 HydrophobicContact CG2-CG2 4.33Å; V1120-W1132 HydrophobicContact CG1-CE3 3.9Å; V1120-A1133 WeakPolarHBondContact CA-O 3.37Å; V1120-I1134 HydrophobicContact CG2-CG1 4.48Å; V1120-I1165 HydrophobicContact CG2-CG2 3.85Å; V1120-V1169 HydrophobicContact CB-CG2 4.32Å; V1120-V1169 HydrophobicContact CG1-CG1 4.29Å; V1120-V1169 HydrophobicContact CG1-CG2 3.81Å; V1120-V1169 HydrophobicContact CG2-CG2 4.25Å; V1120-N1183 CarbonylContact O-C 3.31Å; V1120-N1183 WeakPolarHBondContact O-CA 3.24Å; V1120-M1184 HydrophobicContact CB-CB 4.39Å; V1120-M1184 PolarHBondContact N-O 3.17Å; V1120-M1184 PolarHBondContact O-N 2.68Å; V1120-L1186 HydrophobicContact CG2-CD1 4.1Å |
| 1121 | D | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.7 | 171.1 | -68.1 | -60.2 | 0 | 0 | 0 | 109.7 | W1132 A1133 N1183 S1203 S1205 F1206 V1209 | D1121-W1132 CarbonylContact O-C 3.56Å; D1121-W1132 VanDerWaalsContact O-CA 3.23Å; D1121-W1132 WeakPolarHBondContact O-CA 3.33Å; D1121-A1133 PolarHBondContact N-O 3.49Å; D1121-A1133 PolarHBondContact O-N 3.36Å; D1121-N1183 PolarHBondContact OD1-ND2 3.32Å; D1121-S1203 PolarHBondContact OD1-OG 3.48Å; D1121-S1205 PolarHBondContact OD1-OG 3.48Å; D1121-S1205 VanDerWaalsContact OD1-OG 3.11Å; D1121-S1205 WeakPolarHBondContact OD2-CB 3.4Å; D1121-S1205 PolarHBondContact OD2-OG 2.92Å; D1121-F1206 HydrophobicContact CB-CD2 3.93Å; D1121-F1206 HydrophobicContact CB-CE2 3.69Å; D1121-F1206 HydrophobicContact CB-CZ 4.3Å; D1121-F1206 VanDerWaalsContact OD1-CD2 3.29Å; D1121-F1206 WeakPolarHBondContact OD1-CD2 3.36Å; D1121-F1206 WeakPolarHBondContact OD1-CE2 3.36Å; D1121-V1209 HydrophobicContact CB-CG2 3.99Å; D1121-V1209 WeakPolarHBondContact OD2-CG1 3.31Å |
| 1122 | A | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 155.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1131 W1132 V1169 P1181 F1182 F1206 | A1122-C1131 WeakPolarHBondContact CA-O 3.34Å; A1122-W1132 HydrophobicContact CB-CB 3.62Å; A1122-V1169 HydrophobicContact CB-CG1 4.45Å; A1122-P1181 CarbonylContact O-C 3.6Å; A1122-P1181 WeakPolarHBondContact O-CA 3.21Å; A1122-F1182 HydrophobicContact CB-CD1 3.99Å; A1122-F1182 HydrophobicContact CB-CD2 4.44Å; A1122-F1182 HydrophobicContact CB-CE1 3.34Å; A1122-F1182 HydrophobicContact CB-CE2 3.87Å; A1122-F1182 HydrophobicContact CB-CZ 3.3Å; A1122-F1182 PolarHBondContact N-O 3.46Å; A1122-F1182 WeakPolarHBondContact O-CD1 3.48Å; A1122-F1182 PolarHBondContact O-N 2.88Å; A1122-F1182 VanDerWaalsContact O-O 3.07Å; A1122-F1206 WeakPolarHBondContact O-CZ 3.46Å |
| 1123 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.6 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | I1130 C1131 G1180 F1206 F1217 T1220 A1221 V1224 | V1123-I1130 PolarHBondContact O-N 2.68Å; V1123-C1131 PolarHBondContact N-O 3.03Å; V1123-C1131 PolarHBondContact O-N 3.11Å; V1123-G1180 WeakPolarHBondContact CA-O 3.4Å; V1123-F1206 HydrophobicContact CG2-CE1 4.19Å; V1123-F1217 HydrophobicContact CG2-CB 4.42Å; V1123-F1217 HydrophobicContact CG2-CD1 4.19Å; V1123-F1217 WeakPolarHBondContact CG2-O 3.32Å; V1123-T1220 HydrophobicContact CB-CG2 4.39Å; V1123-T1220 HydrophobicContact CG1-CG2 4.12Å; V1123-A1221 HydrophobicContact CG1-CB 4.08Å; V1123-A1221 HydrophobicContact CG2-CB 3.9Å; V1123-V1224 HydrophobicContact CG1-CB 4.44Å; V1123-V1224 HydrophobicContact CG1-CG2 4.08Å |
| 1124 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1128 A1173 I1178 R1179 G1180 F1182 V1224 | A1124-R1128 CarbonylContact C-O 3.57Å; A1124-R1128 VanDerWaalsContact CA-O 3.22Å; A1124-R1128 WeakPolarHBondContact CA-O 3.13Å; A1124-A1173 HydrophobicContact CB-CB 4.22Å; A1124-I1178 CarbonylContact C-O 3.59Å; A1124-I1178 HydrophobicContact CB-CB 4.12Å; A1124-I1178 HydrophobicContact CB-CG2 4.14Å; A1124-R1179 CarbonylContact O-C 3.59Å; A1124-R1179 VanDerWaalsContact O-CA 3.3Å; A1124-R1179 WeakPolarHBondContact O-CA 3.4Å; A1124-G1180 PolarHBondContact N-O 3.41Å; A1124-G1180 PolarHBondContact O-N 3.45Å; A1124-F1182 HydrophobicContact CB-CD1 4.23Å; A1124-F1182 HydrophobicContact CB-CE1 3.7Å; A1124-V1224 VanDerWaalsContact O-CG1 3.29Å; A1124-V1224 WeakPolarHBondContact O-CG1 3.31Å |
| 1125 | S | 97.8 | Very high | 96.4 | Very high | 34 Ų | 34 | 19.2 Ų | 19.2 | 24% | 0.238 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.7 | 172.7 | -173 | 0 | 0 | 0 | 0 | 109 | G1127 R1128 | S1125-G1127 VanDerWaalsContact C-N 3.26Å; S1125-G1127 PolarHBondContact O-N 3.4Å; S1125-R1128 PolarHBondContact N-O 3.45Å; S1125-R1128 WeakPolarHBondContact O-CB 3.49Å; S1125-R1128 PolarHBondContact O-N 3.34Å |
| 1126 | N | 95.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 19.3 Ų | 19.3 | 52% | 0.519 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 46.5 | -176.8 | -55.7 | -36.4 | 0 | 0 | 0 | 112.7 | R1128 I1178 | N1126-R1128 VanDerWaalsContact C-N 3.29Å; N1126-R1128 PolarHBondContact O-N 3.15Å; N1126-I1178 PolarHBondContact N-O 3.44Å |
| 1127 | G | 95.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 17 Ų | 17 | 7% | 0.072 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | S1125 A1173 G1174 I1178 | S1125-G1127 VanDerWaalsContact C-N 3.26Å; S1125-G1127 PolarHBondContact O-N 3.4Å; G1127-A1173 WeakPolarHBondContact CA-O 3.31Å; G1127-A1173 CarbonylContact O-C 3.46Å; G1127-G1174 PolarHBondContact O-N 3.01Å; G1127-I1178 PolarHBondContact N-O 3.21Å |
| 1128 | R | 96.7 | Very high | 96.8 | Very high | 163 Ų | 163 | 17.7 Ų | 17.7 | 62% | 0.615 | 9% | 0.086 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.8 | 171.6 | -175.1 | 178.1 | 175.8 | 174.7 | -2.1 | 110.6 | A1124 S1125 N1126 I1130 E1232 | A1124-R1128 CarbonylContact C-O 3.57Å; A1124-R1128 VanDerWaalsContact CA-O 3.22Å; A1124-R1128 WeakPolarHBondContact CA-O 3.13Å; S1125-R1128 PolarHBondContact N-O 3.45Å; S1125-R1128 WeakPolarHBondContact O-CB 3.49Å; S1125-R1128 PolarHBondContact O-N 3.34Å; N1126-R1128 VanDerWaalsContact C-N 3.29Å; N1126-R1128 PolarHBondContact O-N 3.15Å; R1128-I1130 PolarHBondContact O-N 2.87Å; R1128-E1232 IonicContact CZ-OE2 2.96Å; R1128-E1232 IonicContact NE-OE2 2.78Å; R1128-E1232 PolarHBondContact NE-OE2 3.35Å; R1128-E1232 IonicContact NH2-OE2 2.85Å; R1128-E1232 PolarHBondContact NH2-OE2 3.44Å |
| 1129 | V | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.6 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | W1132 V1169 K1170 A1173 F1182 | V1129-W1132 HydrophobicContact CG1-CB 4.16Å; V1129-W1132 HydrophobicContact CG1-CG 4.09Å; V1129-V1169 HydrophobicContact CG2-CG1 4.11Å; V1129-K1170 HydrophobicContact CB-CG 4.29Å; V1129-K1170 HydrophobicContact CG2-CG 3.93Å; V1129-A1173 HydrophobicContact CG2-CB 3.91Å; V1129-F1182 HydrophobicContact CG2-CZ 4.26Å |
| 1130 | I | 97.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -52 | -179.1 | -59.1 | -56.6 | 0 | 0 | 0 | 110.5 | V1123 R1128 T1220 V1224 V1230 E1231 E1232 V1233 G1234 | V1123-I1130 PolarHBondContact O-N 2.68Å; R1128-I1130 PolarHBondContact O-N 2.87Å; I1130-T1220 HydrophobicContact CG2-CG2 4.05Å; I1130-V1224 HydrophobicContact CG1-CG2 4.29Å; I1130-V1230 HydrophobicContact CG2-CB 4.26Å; I1130-V1230 HydrophobicContact CG2-CG1 3.74Å; I1130-E1231 WeakPolarHBondContact CG2-O 3.45Å; I1130-E1232 CarbonylContact O-C 3.23Å; I1130-V1233 PolarHBondContact O-N 3.32Å; I1130-G1234 PolarHBondContact O-N 2.88Å |
| 1131 | C | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152.6 | 175.8 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | A1122 V1123 Y1215 F1217 V1233 G1234 V1236 | A1122-C1131 WeakPolarHBondContact CA-O 3.34Å; V1123-C1131 PolarHBondContact N-O 3.03Å; V1123-C1131 PolarHBondContact O-N 3.11Å; C1131-Y1215 HydrophobicContact CB-CE1 4.03Å; C1131-F1217 HydrophobicContact CB-CE1 4.23Å; C1131-V1233 HydrophobicContact CB-CB 4.26Å; C1131-G1234 WeakPolarHBondContact CA-O 3.44Å; C1131-V1236 HydrophobicContact CB-CG2 4.34Å |
| 1132 | W | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 20.6 Ų | 20.6 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 154 | 179.9 | 59.3 | -61.4 | 0 | 0 | 0 | 112.1 | V1120 D1121 A1122 V1129 I1134 I1165 G1234 L1235 V1236 | V1120-W1132 HydrophobicContact CG1-CE3 3.9Å; D1121-W1132 CarbonylContact O-C 3.56Å; D1121-W1132 VanDerWaalsContact O-CA 3.23Å; D1121-W1132 WeakPolarHBondContact O-CA 3.33Å; A1122-W1132 HydrophobicContact CB-CB 3.62Å; V1129-W1132 HydrophobicContact CG1-CB 4.16Å; V1129-W1132 HydrophobicContact CG1-CG 4.09Å; W1132-I1134 HydrophobicContact CE3-CD1 4.12Å; W1132-I1134 HydrophobicContact CE3-CG1 3.84Å; W1132-I1134 HydrophobicContact CH2-CD1 3.92Å; W1132-I1134 HydrophobicContact CZ3-CD1 3.36Å; W1132-I1134 HydrophobicContact CZ3-CG1 3.6Å; W1132-I1165 HydrophobicContact CH2-CG2 4.35Å; W1132-I1165 HydrophobicContact CZ3-CG2 3.64Å; W1132-G1234 PolarHBondContact N-O 2.94Å; W1132-G1234 VanDerWaalsContact NE1-C 3.29Å; W1132-L1235 HydrophobicContact CD2-CD1 4.13Å; W1132-L1235 HydrophobicContact CE3-CD1 4.18Å; W1132-L1235 HydrophobicContact CH2-CD1 4.36Å; W1132-L1235 HydrophobicContact CZ2-CB 3.91Å; W1132-L1235 HydrophobicContact CZ2-CD1 4.32Å; W1132-L1235 HydrophobicContact CZ3-CD1 4.3Å; W1132-L1235 VanDerWaalsContact NE1-N 3.18Å; W1132-V1236 PolarHBondContact O-N 3.45Å; W1132-V1236 VanDerWaalsContact O-N 3.12Å |
| 1133 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1120 D1121 V1209 L1213 F1217 | V1120-A1133 WeakPolarHBondContact CA-O 3.37Å; D1121-A1133 PolarHBondContact N-O 3.49Å; D1121-A1133 PolarHBondContact O-N 3.36Å; A1133-V1209 HydrophobicContact CB-CB 3.84Å; A1133-V1209 HydrophobicContact CB-CG1 4.05Å; A1133-V1209 HydrophobicContact CB-CG2 4.15Å; A1133-L1213 HydrophobicContact CB-CD1 3.46Å; A1133-L1213 VanDerWaalsContact CB-CD1 3.46Å; A1133-F1217 HydrophobicContact CB-CE1 4.32Å; A1133-F1217 HydrophobicContact CB-CE2 4.45Å; A1133-F1217 HydrophobicContact CB-CZ 3.79Å |
| 1134 | I | 96.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.7 | 177.4 | -53.1 | 175.7 | 0 | 0 | 0 | 109.1 | I1118 V1120 W1132 A1154 I1157 M1162 I1165 L1235 | I1118-I1134 HydrophobicContact CG2-CG2 3.52Å; V1120-I1134 HydrophobicContact CG2-CG1 4.48Å; W1132-I1134 HydrophobicContact CE3-CD1 4.12Å; W1132-I1134 HydrophobicContact CE3-CG1 3.84Å; W1132-I1134 HydrophobicContact CH2-CD1 3.92Å; W1132-I1134 HydrophobicContact CZ3-CD1 3.36Å; W1132-I1134 HydrophobicContact CZ3-CG1 3.6Å; I1134-A1154 HydrophobicContact CB-CB 4.47Å; I1134-A1154 HydrophobicContact CG2-CB 4.01Å; I1134-A1154 PolarHBondContact O-N 3.04Å; I1134-I1157 HydrophobicContact CG2-CD1 3.7Å; I1134-M1162 HydrophobicContact CD1-CE 3.52Å; I1134-M1162 HydrophobicContact CD1-SD 3.51Å; I1134-M1162 VanDerWaalsContact CD1-SD 3.51Å; I1134-I1165 HydrophobicContact CD1-CD1 4.31Å; I1134-I1165 HydrophobicContact CD1-CG2 4.2Å; I1134-L1235 HydrophobicContact CD1-CD1 3.98Å; I1134-L1235 HydrophobicContact CG1-CD1 3.87Å |
| 1135 | S | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.7 | 173.8 | -51.4 | 0 | 0 | 0 | 0 | 109.1 | D1119 V1151 T1152 | D1119-S1135 PolarHBondContact N-O 2.92Å; D1119-S1135 PolarHBondContact O-N 3.48Å; S1135-V1151 WeakPolarHBondContact CA-O 3.49Å; S1135-T1152 WeakPolarHBondContact CB-OG1 3.47Å; S1135-T1152 PolarHBondContact OG-OG1 3.23Å |
| 1136 | E | 93.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.2 | 175 | 61.1 | -176.7 | -172 | 0 | 0 | 111 | K1116 L1150 V1151 A1154 Q1155 D1156 R1278 | K1116-E1136 WeakPolarHBondContact CE-OE2 3.37Å; K1116-E1136 IonicContact NZ-OE2 2.66Å; K1116-E1136 PolarHBondContact NZ-OE2 3.29Å; E1136-L1150 WeakPolarHBondContact O-CA 3.32Å; E1136-V1151 HydrophobicContact CG-CB 3.79Å; E1136-V1151 HydrophobicContact CG-CG2 4.38Å; E1136-V1151 PolarHBondContact N-O 2.69Å; E1136-V1151 PolarHBondContact O-N 3.06Å; E1136-A1154 HydrophobicContact CB-CB 4.27Å; E1136-A1154 HydrophobicContact CG-CB 4.29Å; E1136-Q1155 WeakPolarHBondContact OE1-CB 3.44Å; E1136-Q1155 PolarHBondContact OE1-N 2.9Å; E1136-Q1155 PolarHBondContact OE2-N 3.49Å; E1136-D1156 PolarHBondContact OE2-N 3.23Å; E1136-R1278 IonicContact OE1-NH1 3.68Å |
| 1137 | H | 95.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.023 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139.2 | 168 | -70.5 | -154.7 | 0 | 0 | 0 | 109.3 | E1117 A1148 T1149 L1150 | E1117-H1137 HydrophobicContact CB-CB 4.12Å; E1117-H1137 PolarHBondContact O-N 3Å; E1117-H1137 VanDerWaalsContact O-N 3.12Å; E1117-H1137 IonicContact OE1-CE1 3.43Å; E1117-H1137 PolarHBondContact OE1-CE1 3.42Å; E1117-H1137 IonicContact OE1-ND1 3.04Å; E1117-H1137 IonicContact OE1-NE2 3.63Å; E1117-H1137 IonicContact OE2-ND1 3.64Å; H1137-A1148 HydrophobicContact CB-CB 4.39Å; H1137-A1148 VanDerWaalsContact ND1-CB 3.34Å; H1137-A1148 WeakPolarHBondContact ND1-CB 3.37Å; H1137-T1149 WeakPolarHBondContact CA-O 3.39Å; H1137-L1150 WeakPolarHBondContact CD2-CD2 3.39Å |
| 1138 | V | 95.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 17.6 Ų | 17.6 | 16% | 0.158 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -44.8 | 168.7 | 177.2 | 0 | 0 | 0 | 0 | 110 | T1149 V1151 K1418 L1422 | V1138-T1149 HydrophobicContact CB-CG2 4.23Å; V1138-T1149 HydrophobicContact CG2-CG2 3.63Å; V1138-T1149 PolarHBondContact N-O 2.68Å; V1138-V1151 HydrophobicContact CG2-CG2 3.83Å; V1138-K1418 HydrophobicContact CG1-CB 4.16Å; V1138-K1418 WeakPolarHBondContact O-CB 3.41Å; V1138-K1418 WeakPolarHBondContact O-CG 3.22Å; V1138-L1422 HydrophobicContact CB-CD2 4.47Å; V1138-L1422 HydrophobicContact CG1-CB 4.31Å; V1138-L1422 HydrophobicContact CG1-CD2 3.79Å; V1138-L1422 HydrophobicContact CG2-CD2 3.8Å |
| 1139 | E | 93.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 10.1 Ų | 10.1 | 3% | 0.033 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 155.3 | 176.3 | -60.8 | 81.1 | 178.2 | 0 | 0 | 111.3 | V1143 T1149 D1416 C1419 | E1139-V1143 HydrophobicContact CB-CB 4.17Å; E1139-V1143 HydrophobicContact CB-CG2 3.88Å; E1139-V1143 HydrophobicContact CG-CG2 4.23Å; E1139-T1149 WeakPolarHBondContact OE1-CB 3.36Å; E1139-T1149 PolarHBondContact OE1-N 3.02Å; E1139-T1149 PolarHBondContact OE1-OG1 3.35Å; E1139-T1149 PolarHBondContact OE2-N 3.08Å; E1139-D1416 HydrophobicContact CG-CB 4.36Å; E1139-C1419 PolarHBondContact OE1-SG 2.85Å |
| 1140 | N | 89.6 | Confident | 93.3 | Very high | 30 Ų | 30 | 10 Ų | 10 | 16% | 0.16 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 153.7 | 169.4 | -76 | -25.2 | 0 | 0 | 0 | 110.4 | G1142 K1418 | N1140-G1142 PolarHBondContact O-N 3.02Å; N1140-K1418 WeakPolarHBondContact OD1-CE 3.01Å |
| 1141 | A | 88.7 | Confident | 93.3 | Very high | 9 Ų | 9 | 9.6 Ų | 9.6 | 7% | 0.074 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 138 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1115 E1117 I1187 | A1115-A1141 HydrophobicContact CB-CB 4.18Å; A1115-A1141 WeakPolarHBondContact O-CB 3.26Å; A1115-A1141 PolarHBondContact O-N 3.07Å; E1117-A1141 HydrophobicContact CB-CB 4.02Å; E1117-A1141 WeakPolarHBondContact OE2-CA 3.1Å; A1141-I1187 HydrophobicContact CB-CD1 3.44Å; A1141-I1187 VanDerWaalsContact CB-CD1 3.44Å; A1141-I1187 HydrophobicContact CB-CG1 3.96Å |
| 1142 | G | 86.1 | Confident | 93.2 | Very high | 17 Ų | 17 | 9.6 Ų | 9.6 | 18% | 0.175 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.3 | -4.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1117 N1140 G1262 V1263 | E1117-G1142 PolarHBondContact OE2-N 3.25Å; N1140-G1142 PolarHBondContact O-N 3.02Å; G1142-G1262 CarbonylContact O-C 3.58Å; G1142-G1262 WeakPolarHBondContact O-CA 3.01Å; G1142-V1263 PolarHBondContact O-N 2.79Å; G1142-V1263 VanDerWaalsContact O-N 3.17Å |
| 1143 | V | 90 | Very high | 93 | Very high | 16 Ų | 16 | 10.6 Ų | 10.6 | 10% | 0.097 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -98 | 125.1 | 165.3 | 177 | 0 | 0 | 0 | 0 | 107.5 | E1139 S1145 D1147 A1148 L1261 | E1139-V1143 HydrophobicContact CB-CB 4.17Å; E1139-V1143 HydrophobicContact CB-CG2 3.88Å; E1139-V1143 HydrophobicContact CG-CG2 4.23Å; V1143-S1145 PolarHBondContact O-N 3.18Å; V1143-D1147 HydrophobicContact CG1-CB 3.81Å; V1143-A1148 HydrophobicContact CG1-CB 4.36Å; V1143-L1261 HydrophobicContact CG1-CB 4.06Å; V1143-L1261 HydrophobicContact CG1-CD1 3.9Å; V1143-L1261 HydrophobicContact CG2-CB 4.07Å |
| 1144 | H | 90.3 | Very high | 92.7 | Very high | 38 Ų | 38 | 11.8 Ų | 11.8 | 18% | 0.176 | 8% | 0.075 | C | C | . | . | trans | -54.3 | 136.3 | 177.4 | -174.2 | -78.1 | 0 | 0 | 0 | 110.9 | S1077 G1146 D1147 A1148 G1262 V1263 M1265 | S1077-H1144 WeakPolarHBondContact CA-NE2 3.47Å; H1144-G1146 PolarHBondContact ND1-N 3.14Å; H1144-G1146 PolarHBondContact O-N 3.39Å; H1144-G1146 VanDerWaalsContact O-N 3.09Å; H1144-D1147 CarbonylContact O-C 3.2Å; H1144-D1147 WeakPolarHBondContact O-CA 3.37Å; H1144-D1147 WeakPolarHBondContact O-CB 3.46Å; H1144-D1147 PolarHBondContact O-N 3.5Å; H1144-A1148 PolarHBondContact O-N 2.98Å; H1144-G1262 PolarHBondContact N-O 3.24Å; H1144-V1263 PolarHBondContact CD2-O 2.8Å; H1144-M1265 HydrophobicContact CB-CB 4.26Å | ||
| 1145 | S | 88 | Confident | 92.4 | Very high | 21 Ų | 21 | 15.4 Ų | 15.4 | 15% | 0.147 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -54.3 | -34.3 | -175.7 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | D1119 V1143 D1147 A1148 Q1185 K1245 | D1119-S1145 WeakPolarHBondContact OD2-CB 3.46Å; V1143-S1145 PolarHBondContact O-N 3.18Å; S1145-D1147 VanDerWaalsContact C-N 3.27Å; S1145-D1147 PolarHBondContact O-N 3.41Å; S1145-A1148 PolarHBondContact O-N 3.26Å; S1145-A1148 VanDerWaalsContact O-N 3.16Å; S1145-Q1185 PolarHBondContact OG-NE2 3.01Å; S1145-K1245 PolarHBondContact O-NZ 2.77Å |
| 1146 | G | 88.5 | Confident | 91.9 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -56.3 | -38.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1144 K1245 S1267 | H1144-G1146 PolarHBondContact ND1-N 3.14Å; H1144-G1146 PolarHBondContact O-N 3.39Å; H1144-G1146 VanDerWaalsContact O-N 3.09Å; G1146-K1245 PolarHBondContact O-NZ 2.81Å; G1146-S1267 PolarHBondContact O-OG 3.15Å |
| 1147 | D | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -91.1 | -2.4 | 178.3 | -68.4 | 1.1 | 0 | 0 | 0 | 113.1 | V1143 H1144 S1145 P1247 F1249 L1261 M1265 S1266 S1267 | V1143-D1147 HydrophobicContact CG1-CB 3.81Å; H1144-D1147 CarbonylContact O-C 3.2Å; H1144-D1147 WeakPolarHBondContact O-CA 3.37Å; H1144-D1147 WeakPolarHBondContact O-CB 3.46Å; H1144-D1147 PolarHBondContact O-N 3.5Å; S1145-D1147 VanDerWaalsContact C-N 3.27Å; S1145-D1147 PolarHBondContact O-N 3.41Å; D1147-P1247 WeakPolarHBondContact O-CG 3.49Å; D1147-F1249 HydrophobicContact CB-CE1 4.18Å; D1147-F1249 HydrophobicContact CB-CZ 4.18Å; D1147-L1261 HydrophobicContact CB-CD1 4.39Å; D1147-L1261 HydrophobicContact CB-CD2 4.42Å; D1147-M1265 WeakPolarHBondContact OD1-CG 3.29Å; D1147-S1266 PolarHBondContact OD1-N 2.89Å; D1147-S1266 VanDerWaalsContact OD1-N 3.14Å; D1147-S1266 PolarHBondContact OD2-N 3.28Å; D1147-S1267 WeakPolarHBondContact OD1-CB 3.49Å; D1147-S1267 PolarHBondContact OD1-N 3.32Å; D1147-S1267 PolarHBondContact OD1-OG 2.87Å |
| 1148 | A | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -86.3 | 146.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H1137 V1143 H1144 S1145 L1150 K1245 | H1137-A1148 HydrophobicContact CB-CB 4.39Å; H1137-A1148 VanDerWaalsContact ND1-CB 3.34Å; H1137-A1148 WeakPolarHBondContact ND1-CB 3.37Å; V1143-A1148 HydrophobicContact CG1-CB 4.36Å; H1144-A1148 PolarHBondContact O-N 2.98Å; S1145-A1148 PolarHBondContact O-N 3.26Å; S1145-A1148 VanDerWaalsContact O-N 3.16Å; A1148-L1150 HydrophobicContact CB-CD2 4.18Å; A1148-K1245 VanDerWaalsContact O-CE 3.32Å; A1148-K1245 WeakPolarHBondContact O-CE 3.45Å |
| 1149 | T | 96.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | -79.9 | 120.5 | 166.6 | -56.3 | 0 | 0 | 0 | 0 | 108 | H1137 V1138 E1139 V1244 K1245 V1246 Y1282 | H1137-T1149 WeakPolarHBondContact CA-O 3.39Å; V1138-T1149 HydrophobicContact CB-CG2 4.23Å; V1138-T1149 HydrophobicContact CG2-CG2 3.63Å; V1138-T1149 PolarHBondContact N-O 2.68Å; E1139-T1149 WeakPolarHBondContact OE1-CB 3.36Å; E1139-T1149 PolarHBondContact OE1-N 3.02Å; E1139-T1149 PolarHBondContact OE1-OG1 3.35Å; E1139-T1149 PolarHBondContact OE2-N 3.08Å; T1149-V1244 HydrophobicContact CG2-CG1 3.78Å; T1149-K1245 CarbonylContact C-O 3.26Å; T1149-K1245 VanDerWaalsContact CA-O 3.24Å; T1149-K1245 WeakPolarHBondContact CA-O 3.34Å; T1149-K1245 VanDerWaalsContact CG2-O 3.31Å; T1149-K1245 WeakPolarHBondContact CG2-O 3.45Å; T1149-V1246 HydrophobicContact CG2-CG2 4.11Å; T1149-Y1282 HydrophobicContact CG2-CD2 3.82Å; T1149-Y1282 HydrophobicContact CG2-CE2 3.81Å | ||
| 1150 | L | 96.2 | Very high | 90 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.3 | -176.5 | -58 | -176.5 | 0 | 0 | 0 | 111.2 | E1136 H1137 A1148 F1208 V1244 K1245 | E1136-L1150 WeakPolarHBondContact O-CA 3.32Å; H1137-L1150 WeakPolarHBondContact CD2-CD2 3.39Å; A1148-L1150 HydrophobicContact CB-CD2 4.18Å; L1150-F1208 HydrophobicContact CB-CE1 3.94Å; L1150-F1208 HydrophobicContact CD1-CE1 4.49Å; L1150-V1244 CarbonylContact O-C 3.58Å; L1150-V1244 VanDerWaalsContact O-CA 3.3Å; L1150-V1244 WeakPolarHBondContact O-CA 3.31Å; L1150-K1245 HydrophobicContact CB-CB 4.05Å; L1150-K1245 HydrophobicContact CD1-CD 4.16Å; L1150-K1245 HydrophobicContact CG-CD 4.36Å; L1150-K1245 PolarHBondContact N-O 3.32Å; L1150-K1245 PolarHBondContact O-N 2.8Å |
| 1151 | V | 96.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125 | 173 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | S1135 E1136 V1138 Q1155 I1242 V1244 R1278 | S1135-V1151 WeakPolarHBondContact CA-O 3.49Å; E1136-V1151 HydrophobicContact CG-CB 3.79Å; E1136-V1151 HydrophobicContact CG-CG2 4.38Å; E1136-V1151 PolarHBondContact N-O 2.69Å; E1136-V1151 PolarHBondContact O-N 3.06Å; V1138-V1151 HydrophobicContact CG2-CG2 3.83Å; V1151-Q1155 HydrophobicContact CG1-CG 3.81Å; V1151-I1242 HydrophobicContact CG1-CG2 3.68Å; V1151-V1244 HydrophobicContact CG1-CG2 4.26Å; V1151-V1244 HydrophobicContact CG2-CG2 4.14Å; V1151-R1278 HydrophobicContact CG1-CB 3.94Å |
| 1152 | T | 95.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.2 | -177.2 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | S1135 F1208 V1209 A1212 L1213 C1243 | S1135-T1152 WeakPolarHBondContact CB-OG1 3.47Å; S1135-T1152 PolarHBondContact OG-OG1 3.23Å; T1152-F1208 WeakPolarHBondContact OG1-CE1 3.48Å; T1152-F1208 WeakPolarHBondContact OG1-CZ 3.23Å; T1152-V1209 HydrophobicContact CG2-CG1 4.41Å; T1152-A1212 HydrophobicContact CG2-CB 4.08Å; T1152-L1213 HydrophobicContact CG2-CD1 4.22Å; T1152-L1213 HydrophobicContact CG2-CD2 3.93Å; T1152-L1213 HydrophobicContact CG2-CG 4.01Å; T1152-C1243 PolarHBondContact N-O 3.32Å; T1152-C1243 PolarHBondContact O-N 2.87Å |
| 1153 | P | 93.7 | Very high | 90.1 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 22% | 0.221 | 22% | 0.22 | C | C | . | . | S | Bend | cis | -64.4 | 155.5 | -10.2 | 29 | -35.5 | 0 | 0 | 0 | 111.9 | Q1155 L1213 I1242 | P1153-Q1155 PolarHBondContact O-N 3.29Å; P1153-Q1155 PolarHBondContact O-NE2 3.42Å; P1153-L1213 HydrophobicContact CB-CD2 4.31Å; P1153-I1242 HydrophobicContact CG-CD1 4.12Å |
| 1154 | A | 91.6 | Very high | 90.2 | Very high | 25 Ų | 25 | 41 Ų | 41 | 21% | 0.207 | 23% | 0.225 | C | C | . | . | trans | -55.6 | 137.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1134 E1136 I1157 | I1134-A1154 HydrophobicContact CB-CB 4.47Å; I1134-A1154 HydrophobicContact CG2-CB 4.01Å; I1134-A1154 PolarHBondContact O-N 3.04Å; E1136-A1154 HydrophobicContact CB-CB 4.27Å; E1136-A1154 HydrophobicContact CG-CB 4.29Å; A1154-I1157 HydrophobicContact CB-CD1 3.42Å; A1154-I1157 VanDerWaalsContact CB-CD1 3.42Å; A1154-I1157 HydrophobicContact CB-CG1 3.91Å | ||
| 1155 | Q | 88.7 | Confident | 90.4 | Very high | 83 Ų | 83 | 39.2 Ų | 39.2 | 39% | 0.388 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -105.7 | -33.9 | -172.9 | -60.5 | -64.3 | -77.7 | 0 | 0 | 113.2 | E1136 V1151 P1153 I1242 | E1136-Q1155 WeakPolarHBondContact OE1-CB 3.44Å; E1136-Q1155 PolarHBondContact OE1-N 2.9Å; E1136-Q1155 PolarHBondContact OE2-N 3.49Å; V1151-Q1155 HydrophobicContact CG1-CG 3.81Å; P1153-Q1155 PolarHBondContact O-N 3.29Å; P1153-Q1155 PolarHBondContact O-NE2 3.42Å; Q1155-I1242 VanDerWaalsContact CD-CD1 3.49Å; Q1155-I1242 HydrophobicContact CG-CD1 4.45Å |
| 1156 | D | 84.8 | Confident | 90.7 | Very high | 94 Ų | 94 | 39.7 Ų | 39.7 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -114.1 | 51 | -171.9 | -70.4 | -18.2 | 0 | 0 | 0 | 111 | K1116 E1136 R1278 | K1116-D1156 VanDerWaalsContact NZ-CB 3.26Å; K1116-D1156 PolarHBondContact NZ-O 3.47Å; E1136-D1156 PolarHBondContact OE2-N 3.23Å; D1156-R1278 VanDerWaalsContact CG-NH1 3.26Å; D1156-R1278 IonicContact OD1-CZ 3.72Å; D1156-R1278 IonicContact OD1-NH1 2.9Å; D1156-R1278 IonicContact OD1-NH2 2.78Å; D1156-R1278 IonicContact OD2-CZ 3.4Å; D1156-R1278 IonicContact OD2-NH1 3.33Å; D1156-R1278 PolarHBondContact OD2-NH1 2.86Å; D1156-R1278 IonicContact OD2-NH2 3.84Å; D1156-R1278 PolarHBondContact OD2-NH2 3.33Å |
| 1157 | I | 85.3 | Confident | 91 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 17% | 0.169 | 23% | 0.233 | C | C | . | . | trans | -122.7 | 126.3 | 173.4 | -52.1 | -179.1 | 0 | 0 | 0 | 109.5 | I1118 I1134 A1154 T1161 M1162 I1165 | I1118-I1157 HydrophobicContact CD1-CD1 4.12Å; I1118-I1157 HydrophobicContact CG1-CD1 4.5Å; I1118-I1157 HydrophobicContact CG2-CD1 4.28Å; I1134-I1157 HydrophobicContact CG2-CD1 3.7Å; A1154-I1157 HydrophobicContact CB-CD1 3.42Å; A1154-I1157 VanDerWaalsContact CB-CD1 3.42Å; A1154-I1157 HydrophobicContact CB-CG1 3.91Å; I1157-T1161 HydrophobicContact CG2-CG2 3.73Å; I1157-M1162 HydrophobicContact CB-CG 4.23Å; I1157-M1162 HydrophobicContact CB-SD 4.05Å; I1157-M1162 HydrophobicContact CD1-SD 4.27Å; I1157-M1162 HydrophobicContact CG2-CG 3.65Å; I1157-M1162 HydrophobicContact CG2-SD 3.68Å; I1157-I1165 HydrophobicContact CD1-CD1 4.21Å; I1157-I1165 HydrophobicContact CG2-CD1 4.19Å | ||
| 1158 | N | 83.7 | Confident | 91.2 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | trans | -78.7 | 163.1 | 177.8 | 72.7 | 48.8 | 0 | 0 | 0 | 112.1 | R1160 T1161 M1162 | N1158-R1160 VanDerWaalsContact C-N 3.28Å; N1158-R1160 PolarHBondContact O-N 3.21Å; N1158-R1160 WeakPolarHBondContact OD1-CB 3.44Å; N1158-R1160 PolarHBondContact OD1-N 2.83Å; N1158-T1161 PolarHBondContact ND2-OG1 3.45Å; N1158-T1161 PolarHBondContact O-N 3.22Å; N1158-T1161 PolarHBondContact OD1-N 3.41Å; N1158-T1161 PolarHBondContact OD1-OG1 2.79Å; N1158-M1162 WeakPolarHBondContact O-CG 3.43Å; N1158-M1162 PolarHBondContact O-N 3.48Å | ||
| 1159 | S | 83.6 | Confident | 91.3 | Very high | 100 Ų | 100 | 43.4 Ų | 43.4 | 70% | 0.699 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.7 | -30.4 | -176.3 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | S1163 | S1159-S1163 PolarHBondContact O-N 3.1Å; S1159-S1163 PolarHBondContact O-OG 3.15Å |
| 1160 | R | 85.8 | Confident | 91.3 | Very high | 156 Ų | 156 | 47.5 Ų | 47.5 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.8 | -52.2 | 176.4 | -177.4 | -179.5 | -177.7 | 176.2 | 3.3 | 110.6 | N1158 M1162 S1163 D1164 | N1158-R1160 VanDerWaalsContact C-N 3.28Å; N1158-R1160 PolarHBondContact O-N 3.21Å; N1158-R1160 WeakPolarHBondContact OD1-CB 3.44Å; N1158-R1160 PolarHBondContact OD1-N 2.83Å; R1160-M1162 VanDerWaalsContact C-N 3.26Å; R1160-M1162 PolarHBondContact O-N 2.98Å; R1160-S1163 WeakPolarHBondContact O-CB 3.34Å; R1160-S1163 PolarHBondContact O-N 3.33Å; R1160-S1163 VanDerWaalsContact O-N 3.08Å; R1160-D1164 PolarHBondContact O-N 3.46Å |
| 1161 | T | 87.4 | Confident | 91.4 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -39.9 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | I1118 I1157 N1158 S1163 D1164 I1165 L1193 | I1118-T1161 HydrophobicContact CD1-CG2 4.29Å; I1157-T1161 HydrophobicContact CG2-CG2 3.73Å; N1158-T1161 PolarHBondContact ND2-OG1 3.45Å; N1158-T1161 PolarHBondContact O-N 3.22Å; N1158-T1161 PolarHBondContact OD1-N 3.41Å; N1158-T1161 PolarHBondContact OD1-OG1 2.79Å; T1161-S1163 PolarHBondContact O-N 3.47Å; T1161-D1164 PolarHBondContact O-N 2.86Å; T1161-I1165 HydrophobicContact CG2-CD1 4.06Å; T1161-I1165 HydrophobicContact CG2-CG1 4.38Å; T1161-I1165 WeakPolarHBondContact O-CG1 3.46Å; T1161-I1165 PolarHBondContact O-N 3.26Å; T1161-L1193 HydrophobicContact CG2-CD1 4.46Å |
| 1162 | M | 89.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 49 Ų | 49 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 173.5 | -73.4 | -62.8 | -80.1 | 0 | 0 | 113.1 | I1134 I1157 N1158 R1160 I1165 S1166 L1235 | I1134-M1162 HydrophobicContact CD1-CE 3.52Å; I1134-M1162 HydrophobicContact CD1-SD 3.51Å; I1134-M1162 VanDerWaalsContact CD1-SD 3.51Å; I1157-M1162 HydrophobicContact CB-CG 4.23Å; I1157-M1162 HydrophobicContact CB-SD 4.05Å; I1157-M1162 HydrophobicContact CD1-SD 4.27Å; I1157-M1162 HydrophobicContact CG2-CG 3.65Å; I1157-M1162 HydrophobicContact CG2-SD 3.68Å; N1158-M1162 WeakPolarHBondContact O-CG 3.43Å; N1158-M1162 PolarHBondContact O-N 3.48Å; R1160-M1162 VanDerWaalsContact C-N 3.26Å; R1160-M1162 PolarHBondContact O-N 2.98Å; M1162-I1165 PolarHBondContact O-N 3.32Å; M1162-I1165 HydrophobicContact SD-CD1 4.39Å; M1162-S1166 PolarHBondContact O-N 2.89Å; M1162-L1235 HydrophobicContact CE-CD2 3.39Å |
| 1163 | S | 90 | Very high | 91.4 | Very high | 83 Ų | 83 | 48.9 Ų | 48.9 | 58% | 0.58 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 174.5 | -73.7 | 0 | 0 | 0 | 0 | 112.1 | S1159 R1160 T1161 S1166 R1167 | S1159-S1163 PolarHBondContact O-N 3.1Å; S1159-S1163 PolarHBondContact O-OG 3.15Å; R1160-S1163 WeakPolarHBondContact O-CB 3.34Å; R1160-S1163 PolarHBondContact O-N 3.33Å; R1160-S1163 VanDerWaalsContact O-N 3.08Å; T1161-S1163 PolarHBondContact O-N 3.47Å; S1163-S1166 PolarHBondContact O-N 3.38Å; S1163-R1167 PolarHBondContact O-N 3.42Å |
| 1164 | D | 92.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.8 | -79.7 | -41.4 | 0 | 0 | 0 | 111.9 | R1160 T1161 R1167 V1168 L1193 | R1160-D1164 PolarHBondContact O-N 3.46Å; T1161-D1164 PolarHBondContact O-N 2.86Å; D1164-R1167 PolarHBondContact O-N 3.05Å; D1164-R1167 IonicContact OD1-CZ 3.96Å; D1164-R1167 IonicContact OD1-NE 2.74Å; D1164-R1167 IonicContact OD1-NH2 3.8Å; D1164-R1167 PolarHBondContact OD1-NH2 2.9Å; D1164-V1168 WeakPolarHBondContact O-CB 3.1Å; D1164-V1168 WeakPolarHBondContact O-CG2 3.37Å; D1164-V1168 PolarHBondContact O-N 2.9Å; D1164-L1193 HydrophobicContact CB-CB 4.47Å; D1164-L1193 HydrophobicContact CB-CD2 3.8Å |
| 1165 | I | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 173.9 | -64.4 | 161.2 | 0 | 0 | 0 | 109.7 | I1118 V1120 W1132 I1134 I1157 T1161 M1162 R1167 V1168 V1169 L1186 L1193 | I1118-I1165 HydrophobicContact CD1-CD1 3.9Å; I1118-I1165 HydrophobicContact CG2-CD1 4.11Å; V1120-I1165 HydrophobicContact CG2-CG2 3.85Å; W1132-I1165 HydrophobicContact CH2-CG2 4.35Å; W1132-I1165 HydrophobicContact CZ3-CG2 3.64Å; I1134-I1165 HydrophobicContact CD1-CD1 4.31Å; I1134-I1165 HydrophobicContact CD1-CG2 4.2Å; I1157-I1165 HydrophobicContact CD1-CD1 4.21Å; I1157-I1165 HydrophobicContact CG2-CD1 4.19Å; T1161-I1165 HydrophobicContact CG2-CD1 4.06Å; T1161-I1165 HydrophobicContact CG2-CG1 4.38Å; T1161-I1165 WeakPolarHBondContact O-CG1 3.46Å; T1161-I1165 PolarHBondContact O-N 3.26Å; M1162-I1165 PolarHBondContact O-N 3.32Å; M1162-I1165 HydrophobicContact SD-CD1 4.39Å; I1165-R1167 VanDerWaalsContact C-N 3.32Å; I1165-R1167 PolarHBondContact O-N 2.92Å; I1165-V1168 PolarHBondContact O-N 2.78Å; I1165-V1168 VanDerWaalsContact O-N 3.13Å; I1165-V1169 HydrophobicContact CG2-CG2 3.85Å; I1165-V1169 WeakPolarHBondContact O-CB 3.38Å; I1165-V1169 WeakPolarHBondContact O-CG2 3.33Å; I1165-V1169 PolarHBondContact O-N 3.4Å; I1165-L1186 HydrophobicContact CB-CD1 4.33Å; I1165-L1186 HydrophobicContact CG1-CD1 3.99Å; I1165-L1186 HydrophobicContact CG2-CD1 3.83Å; I1165-L1193 HydrophobicContact CB-CD2 4.23Å; I1165-L1193 HydrophobicContact CG1-CD1 4.2Å; I1165-L1193 HydrophobicContact CG1-CD2 3.58Å |
| 1166 | S | 94.4 | Very high | 92.2 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.9 | -47 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 112 | M1162 S1163 K1170 | M1162-S1166 PolarHBondContact O-N 2.89Å; S1163-S1166 PolarHBondContact O-N 3.38Å; S1166-K1170 WeakPolarHBondContact O-CB 3.42Å; S1166-K1170 VanDerWaalsContact O-CG 3.27Å; S1166-K1170 WeakPolarHBondContact O-CG 3.25Å; S1166-K1170 PolarHBondContact O-N 3.19Å; S1166-K1170 VanDerWaalsContact O-N 3.11Å |
| 1167 | R | 94.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 176 | 178 | -179 | 55.3 | 75.1 | 5.5 | 111.5 | E1041 H1042 S1163 D1164 I1165 K1170 T1171 | E1041-R1167 PolarHBondContact O-NH1 2.67Å; H1042-R1167 PolarHBondContact O-NH1 3.43Å; H1042-R1167 PolarHBondContact O-NH2 2.89Å; S1163-R1167 PolarHBondContact O-N 3.42Å; D1164-R1167 PolarHBondContact O-N 3.05Å; D1164-R1167 IonicContact OD1-CZ 3.96Å; D1164-R1167 IonicContact OD1-NE 2.74Å; D1164-R1167 IonicContact OD1-NH2 3.8Å; D1164-R1167 PolarHBondContact OD1-NH2 2.9Å; I1165-R1167 VanDerWaalsContact C-N 3.32Å; I1165-R1167 PolarHBondContact O-N 2.92Å; R1167-K1170 PolarHBondContact O-N 2.75Å; R1167-T1171 WeakPolarHBondContact O-CB 3.4Å; R1167-T1171 PolarHBondContact O-N 3.48Å; R1167-T1171 PolarHBondContact O-OG1 2.99Å |
| 1168 | V | 96.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -50.1 | -178.1 | 168 | 0 | 0 | 0 | 0 | 111.2 | I1043 D1164 I1165 K1170 T1171 V1172 M1184 L1186 L1193 V1195 | I1043-V1168 HydrophobicContact CD1-CB 4.07Å; I1043-V1168 HydrophobicContact CD1-CG1 4.35Å; I1043-V1168 HydrophobicContact CD1-CG2 3.64Å; D1164-V1168 WeakPolarHBondContact O-CB 3.1Å; D1164-V1168 WeakPolarHBondContact O-CG2 3.37Å; D1164-V1168 PolarHBondContact O-N 2.9Å; I1165-V1168 PolarHBondContact O-N 2.78Å; I1165-V1168 VanDerWaalsContact O-N 3.13Å; V1168-K1170 PolarHBondContact O-N 3.39Å; V1168-T1171 PolarHBondContact O-N 2.82Å; V1168-V1172 HydrophobicContact CG1-CG2 4.43Å; V1168-V1172 WeakPolarHBondContact O-CG2 3.41Å; V1168-V1172 PolarHBondContact O-N 3.12Å; V1168-M1184 HydrophobicContact CG1-SD 3.98Å; V1168-L1186 HydrophobicContact CG1-CD2 3.88Å; V1168-L1193 HydrophobicContact CG2-CD2 4.12Å; V1168-V1195 HydrophobicContact CG1-CG2 3.5Å |
| 1169 | V | 96.7 | Very high | 94 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | -178.8 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | V1120 A1122 V1129 I1165 A1173 F1182 M1184 | V1120-V1169 HydrophobicContact CB-CG2 4.32Å; V1120-V1169 HydrophobicContact CG1-CG1 4.29Å; V1120-V1169 HydrophobicContact CG1-CG2 3.81Å; V1120-V1169 HydrophobicContact CG2-CG2 4.25Å; A1122-V1169 HydrophobicContact CB-CG1 4.45Å; V1129-V1169 HydrophobicContact CG2-CG1 4.11Å; I1165-V1169 HydrophobicContact CG2-CG2 3.85Å; I1165-V1169 WeakPolarHBondContact O-CB 3.38Å; I1165-V1169 WeakPolarHBondContact O-CG2 3.33Å; I1165-V1169 PolarHBondContact O-N 3.4Å; V1169-A1173 WeakPolarHBondContact O-CB 2.97Å; V1169-A1173 PolarHBondContact O-N 3.18Å; V1169-F1182 HydrophobicContact CG1-CE2 4.06Å; V1169-F1182 HydrophobicContact CG1-CZ 3.81Å; V1169-M1184 HydrophobicContact CG2-SD 4.11Å |
| 1170 | K | 96.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.8 | -72 | 178.8 | 176.6 | -165.4 | 0 | 112.8 | V1129 S1166 R1167 V1168 G1174 E1232 | V1129-K1170 HydrophobicContact CB-CG 4.29Å; V1129-K1170 HydrophobicContact CG2-CG 3.93Å; S1166-K1170 WeakPolarHBondContact O-CB 3.42Å; S1166-K1170 VanDerWaalsContact O-CG 3.27Å; S1166-K1170 WeakPolarHBondContact O-CG 3.25Å; S1166-K1170 PolarHBondContact O-N 3.19Å; S1166-K1170 VanDerWaalsContact O-N 3.11Å; R1167-K1170 PolarHBondContact O-N 2.75Å; V1168-K1170 PolarHBondContact O-N 3.39Å; K1170-G1174 PolarHBondContact O-N 3.25Å; K1170-E1232 IonicContact NZ-OE1 3.66Å |
| 1171 | T | 97 | Very high | 95.3 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 18% | 0.184 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.1 | -46.9 | -177.7 | -55 | 0 | 0 | 0 | 0 | 111.4 | L1038 E1041 I1043 R1167 V1168 G1174 A1175 | L1038-T1171 HydrophobicContact CD2-CG2 4.13Å; E1041-T1171 HydrophobicContact CB-CG2 4.03Å; E1041-T1171 HydrophobicContact CG-CG2 4.14Å; I1043-T1171 HydrophobicContact CD1-CG2 4.07Å; I1043-T1171 HydrophobicContact CG1-CG2 3.89Å; R1167-T1171 WeakPolarHBondContact O-CB 3.4Å; R1167-T1171 PolarHBondContact O-N 3.48Å; R1167-T1171 PolarHBondContact O-OG1 2.99Å; V1168-T1171 PolarHBondContact O-N 2.82Å; T1171-G1174 PolarHBondContact O-N 3.22Å; T1171-A1175 PolarHBondContact O-N 2.88Å |
| 1172 | V | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.4 | -39.6 | -179.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | F1031 L1035 L1038 I1043 V1168 G1174 A1175 L1176 M1184 C1198 | F1031-V1172 HydrophobicContact CE2-CG1 4.5Å; L1035-V1172 HydrophobicContact CD2-CG2 4.04Å; L1038-V1172 HydrophobicContact CD1-CG2 4.3Å; I1043-V1172 HydrophobicContact CG2-CG2 4.23Å; V1168-V1172 HydrophobicContact CG1-CG2 4.43Å; V1168-V1172 WeakPolarHBondContact O-CG2 3.41Å; V1168-V1172 PolarHBondContact O-N 3.12Å; V1172-G1174 VanDerWaalsContact C-N 3.3Å; V1172-G1174 PolarHBondContact O-N 2.94Å; V1172-A1175 PolarHBondContact O-N 3.33Å; V1172-L1176 HydrophobicContact CG1-CD1 3.97Å; V1172-L1176 PolarHBondContact O-N 3.02Å; V1172-M1184 HydrophobicContact CB-CE 3.52Å; V1172-M1184 HydrophobicContact CG1-CE 3.53Å; V1172-M1184 HydrophobicContact CG2-CE 4.16Å; V1172-C1198 HydrophobicContact CG1-CB 4.32Å |
| 1173 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1124 G1127 V1129 V1169 L1176 Q1177 I1178 F1182 | A1124-A1173 HydrophobicContact CB-CB 4.22Å; G1127-A1173 WeakPolarHBondContact CA-O 3.31Å; G1127-A1173 CarbonylContact O-C 3.46Å; V1129-A1173 HydrophobicContact CG2-CB 3.91Å; V1169-A1173 WeakPolarHBondContact O-CB 2.97Å; V1169-A1173 PolarHBondContact O-N 3.18Å; A1173-L1176 PolarHBondContact O-N 2.94Å; A1173-Q1177 PolarHBondContact O-N 3.35Å; A1173-Q1177 VanDerWaalsContact O-N 3.07Å; A1173-I1178 HydrophobicContact CB-CD1 4.34Å; A1173-I1178 PolarHBondContact O-N 3.36Å; A1173-I1178 VanDerWaalsContact O-N 3.14Å; A1173-F1182 HydrophobicContact CB-CE1 4.24Å; A1173-F1182 HydrophobicContact CB-CE2 4.49Å; A1173-F1182 HydrophobicContact CB-CZ 3.87Å |
| 1174 | G | 97 | Very high | 96.4 | Very high | 26 Ų | 26 | 23.5 Ų | 23.5 | 27% | 0.268 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1127 K1170 T1171 V1172 L1176 Q1177 | G1127-G1174 PolarHBondContact O-N 3.01Å; K1170-G1174 PolarHBondContact O-N 3.25Å; T1171-G1174 PolarHBondContact O-N 3.22Å; V1172-G1174 VanDerWaalsContact C-N 3.3Å; V1172-G1174 PolarHBondContact O-N 2.94Å; G1174-L1176 VanDerWaalsContact C-N 3.33Å; G1174-L1176 PolarHBondContact O-N 2.81Å; G1174-Q1177 PolarHBondContact O-N 3.14Å; G1174-Q1177 PolarHBondContact O-NE2 3.03Å |
| 1175 | A | 96 | Very high | 96.6 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 25% | 0.248 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1034 L1038 T1171 V1172 | T1034-A1175 HydrophobicContact CG2-CB 4.48Å; L1038-A1175 HydrophobicContact CD1-CB 3.65Å; L1038-A1175 HydrophobicContact CD2-CB 3.97Å; L1038-A1175 HydrophobicContact CG-CB 4.3Å; T1171-A1175 PolarHBondContact O-N 2.88Å; V1172-A1175 PolarHBondContact O-N 3.33Å |
| 1176 | L | 96.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 4.1 | 177.4 | -67.3 | 174.7 | 0 | 0 | 0 | 113.3 | F1021 Q1024 A1025 F1031 V1172 A1173 G1174 I1178 C1198 V1200 | F1021-L1176 VanDerWaalsContact CB-O 3.26Å; F1021-L1176 WeakPolarHBondContact CB-O 3.29Å; F1021-L1176 WeakPolarHBondContact CD1-O 3.32Å; F1021-L1176 WeakPolarHBondContact CG-O 3.34Å; Q1024-L1176 HydrophobicContact CB-CD2 4.23Å; Q1024-L1176 HydrophobicContact CG-CD2 4Å; A1025-L1176 HydrophobicContact CB-CD1 3.95Å; A1025-L1176 HydrophobicContact CB-CD2 4.33Å; F1031-L1176 HydrophobicContact CE2-CD1 4.23Å; V1172-L1176 HydrophobicContact CG1-CD1 3.97Å; V1172-L1176 PolarHBondContact O-N 3.02Å; A1173-L1176 PolarHBondContact O-N 2.94Å; G1174-L1176 VanDerWaalsContact C-N 3.33Å; G1174-L1176 PolarHBondContact O-N 2.81Å; L1176-I1178 HydrophobicContact CB-CD1 4.13Å; L1176-I1178 HydrophobicContact CB-CG1 3.65Å; L1176-I1178 HydrophobicContact CD1-CD1 4.26Å; L1176-I1178 PolarHBondContact O-N 3.06Å; L1176-I1178 VanDerWaalsContact O-N 3.07Å; L1176-C1198 HydrophobicContact CD1-CB 4.46Å; L1176-V1200 HydrophobicContact CD1-CG2 4.14Å |
| 1177 | Q | 97.1 | Very high | 96.6 | Very high | 94 Ų | 94 | 21.3 Ų | 21.3 | 44% | 0.439 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 41.4 | -178.3 | -66 | -68.7 | -63.8 | 0 | 0 | 112.8 | F1021 A1173 G1174 R1179 | F1021-Q1177 HydrophobicContact CD2-CB 4.03Å; F1021-Q1177 HydrophobicContact CE1-CB 4.36Å; F1021-Q1177 HydrophobicContact CE1-CG 4.25Å; F1021-Q1177 HydrophobicContact CE2-CB 3.72Å; F1021-Q1177 HydrophobicContact CE2-CG 4.06Å; F1021-Q1177 HydrophobicContact CZ-CB 3.89Å; F1021-Q1177 HydrophobicContact CZ-CG 3.76Å; A1173-Q1177 PolarHBondContact O-N 3.35Å; A1173-Q1177 VanDerWaalsContact O-N 3.07Å; G1174-Q1177 PolarHBondContact O-N 3.14Å; G1174-Q1177 PolarHBondContact O-NE2 3.03Å; Q1177-R1179 PolarHBondContact O-N 2.9Å |
| 1178 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -62.9 | 129.8 | -169.9 | -59.5 | -178.3 | 0 | 0 | 0 | 110.6 | A1124 N1126 G1127 A1173 L1176 F1182 V1200 | A1124-I1178 CarbonylContact C-O 3.59Å; A1124-I1178 HydrophobicContact CB-CB 4.12Å; A1124-I1178 HydrophobicContact CB-CG2 4.14Å; N1126-I1178 PolarHBondContact N-O 3.44Å; G1127-I1178 PolarHBondContact N-O 3.21Å; A1173-I1178 HydrophobicContact CB-CD1 4.34Å; A1173-I1178 PolarHBondContact O-N 3.36Å; A1173-I1178 VanDerWaalsContact O-N 3.14Å; L1176-I1178 HydrophobicContact CB-CD1 4.13Å; L1176-I1178 HydrophobicContact CB-CG1 3.65Å; L1176-I1178 HydrophobicContact CD1-CD1 4.26Å; L1176-I1178 PolarHBondContact O-N 3.06Å; L1176-I1178 VanDerWaalsContact O-N 3.07Å; I1178-F1182 HydrophobicContact CD1-CB 3.87Å; I1178-F1182 HydrophobicContact CD1-CD1 4Å; I1178-F1182 HydrophobicContact CD1-CD2 3.87Å; I1178-F1182 HydrophobicContact CD1-CE1 4.49Å; I1178-F1182 HydrophobicContact CD1-CE2 4.38Å; I1178-F1182 HydrophobicContact CD1-CG 3.64Å; I1178-F1182 HydrophobicContact CG2-CB 4.11Å; I1178-F1182 HydrophobicContact CG2-CD1 3.74Å; I1178-F1182 HydrophobicContact CG2-CE1 4.5Å; I1178-F1182 HydrophobicContact CG2-CG 4.16Å; I1178-V1200 HydrophobicContact CD1-CG1 4.3Å; I1178-V1200 HydrophobicContact CD1-CG2 4.18Å; I1178-V1200 HydrophobicContact CG1-CG1 4.06Å; I1178-V1200 HydrophobicContact CG1-CG2 4.48Å; I1178-V1200 HydrophobicContact CG2-CG1 3.99Å | ||
| 1179 | R | 97.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 22 Ų | 22 | 26% | 0.26 | 12% | 0.115 | S | C | . | . | trans | -125.5 | 107.9 | 171.4 | -178.6 | -179.9 | 174.3 | -177.1 | -4.5 | 109.2 | G1016 T1017 A1124 Q1177 V1224 V1225 | G1016-R1179 CarbonylContact C-O 3.57Å; G1016-R1179 VanDerWaalsContact C-O 3.23Å; G1016-R1179 VanDerWaalsContact CA-O 3.29Å; G1016-R1179 WeakPolarHBondContact CA-O 3.24Å; T1017-R1179 PolarHBondContact N-O 2.83Å; T1017-R1179 PolarHBondContact OG1-N 2.62Å; T1017-R1179 PolarHBondContact OG1-O 2.79Å; A1124-R1179 CarbonylContact O-C 3.59Å; A1124-R1179 VanDerWaalsContact O-CA 3.3Å; A1124-R1179 WeakPolarHBondContact O-CA 3.4Å; Q1177-R1179 PolarHBondContact O-N 2.9Å; R1179-V1224 HydrophobicContact CG-CG1 3.86Å; R1179-V1224 PolarHBondContact NE-O 3.25Å; R1179-V1225 PolarHBondContact NH2-O 3.5Å | ||
| 1180 | G | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.5 | -157.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1123 A1124 | V1123-G1180 WeakPolarHBondContact CA-O 3.4Å; A1124-G1180 PolarHBondContact N-O 3.41Å; A1124-G1180 PolarHBondContact O-N 3.45Å |
| 1181 | P | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 145.8 | -176 | 32.4 | -28.7 | 0 | 0 | 0 | 111.2 | C994 M995 A1122 V1200 R1201 A1202 F1206 A1221 | C994-P1181 HydrophobicContact CB-CG 4.24Å; M995-P1181 HydrophobicContact CE-CG 4.37Å; M995-P1181 HydrophobicContact SD-CG 4.18Å; A1122-P1181 CarbonylContact O-C 3.6Å; A1122-P1181 WeakPolarHBondContact O-CA 3.21Å; P1181-V1200 CarbonylContact O-C 3.45Å; P1181-R1201 CarbonylContact O-C 3.37Å; P1181-R1201 WeakPolarHBondContact O-CA 3.3Å; P1181-R1201 PolarHBondContact O-N 2.8Å; P1181-R1201 VanDerWaalsContact O-N 3.15Å; P1181-A1202 HydrophobicContact CB-CB 4.44Å; P1181-A1202 HydrophobicContact CG-CB 4.27Å; P1181-F1206 HydrophobicContact CB-CE1 3.62Å; P1181-F1206 HydrophobicContact CB-CE2 4.34Å; P1181-F1206 HydrophobicContact CB-CZ 3.5Å; P1181-F1206 VanDerWaalsContact CB-CZ 3.5Å; P1181-A1221 HydrophobicContact CB-CB 4.04Å; P1181-A1221 HydrophobicContact CG-CB 4.11Å |
| 1182 | F | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 159.2 | 168.9 | 71.2 | -78.5 | 0 | 0 | 0 | 111.1 | A1122 A1124 V1129 V1169 A1173 I1178 M1184 N1199 R1201 | A1122-F1182 HydrophobicContact CB-CD1 3.99Å; A1122-F1182 HydrophobicContact CB-CD2 4.44Å; A1122-F1182 HydrophobicContact CB-CE1 3.34Å; A1122-F1182 HydrophobicContact CB-CE2 3.87Å; A1122-F1182 HydrophobicContact CB-CZ 3.3Å; A1122-F1182 PolarHBondContact N-O 3.46Å; A1122-F1182 WeakPolarHBondContact O-CD1 3.48Å; A1122-F1182 PolarHBondContact O-N 2.88Å; A1122-F1182 VanDerWaalsContact O-O 3.07Å; A1124-F1182 HydrophobicContact CB-CD1 4.23Å; A1124-F1182 HydrophobicContact CB-CE1 3.7Å; V1129-F1182 HydrophobicContact CG2-CZ 4.26Å; V1169-F1182 HydrophobicContact CG1-CE2 4.06Å; V1169-F1182 HydrophobicContact CG1-CZ 3.81Å; A1173-F1182 HydrophobicContact CB-CE1 4.24Å; A1173-F1182 HydrophobicContact CB-CE2 4.49Å; A1173-F1182 HydrophobicContact CB-CZ 3.87Å; I1178-F1182 HydrophobicContact CD1-CB 3.87Å; I1178-F1182 HydrophobicContact CD1-CD1 4Å; I1178-F1182 HydrophobicContact CD1-CD2 3.87Å; I1178-F1182 HydrophobicContact CD1-CE1 4.49Å; I1178-F1182 HydrophobicContact CD1-CE2 4.38Å; I1178-F1182 HydrophobicContact CD1-CG 3.64Å; I1178-F1182 HydrophobicContact CG2-CB 4.11Å; I1178-F1182 HydrophobicContact CG2-CD1 3.74Å; I1178-F1182 HydrophobicContact CG2-CE1 4.5Å; I1178-F1182 HydrophobicContact CG2-CG 4.16Å; F1182-M1184 HydrophobicContact CE2-CE 4Å; F1182-N1199 CarbonylContact C-O 3.52Å; F1182-N1199 VanDerWaalsContact CA-O 3.29Å; F1182-N1199 WeakPolarHBondContact CA-O 3.41Å; F1182-N1199 WeakPolarHBondContact CB-O 3.24Å; F1182-R1201 WeakPolarHBondContact CA-O 3.44Å |
| 1183 | N | 96.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142 | 177.4 | 170.2 | -91 | 0 | 0 | 0 | 109.9 | D1119 V1120 D1121 C1198 N1199 | D1119-N1183 PolarHBondContact OD1-ND2 2.79Å; V1120-N1183 CarbonylContact O-C 3.31Å; V1120-N1183 WeakPolarHBondContact O-CA 3.24Å; D1121-N1183 PolarHBondContact OD1-ND2 3.32Å; N1183-C1198 CarbonylContact O-C 3.31Å; N1183-C1198 VanDerWaalsContact O-CA 3.31Å; N1183-C1198 WeakPolarHBondContact O-CA 3.2Å; N1183-N1199 PolarHBondContact N-O 2.85Å; N1183-N1199 PolarHBondContact O-N 3.25Å |
| 1184 | M | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.7 | -177.1 | -171.8 | 179.9 | -63.4 | 0 | 0 | 111 | V1120 V1168 V1169 V1172 F1182 L1186 V1195 C1198 | V1120-M1184 HydrophobicContact CB-CB 4.39Å; V1120-M1184 PolarHBondContact N-O 3.17Å; V1120-M1184 PolarHBondContact O-N 2.68Å; V1168-M1184 HydrophobicContact CG1-SD 3.98Å; V1169-M1184 HydrophobicContact CG2-SD 4.11Å; V1172-M1184 HydrophobicContact CB-CE 3.52Å; V1172-M1184 HydrophobicContact CG1-CE 3.53Å; V1172-M1184 HydrophobicContact CG2-CE 4.16Å; F1182-M1184 HydrophobicContact CE2-CE 4Å; M1184-L1186 HydrophobicContact CG-CD2 3.91Å; M1184-L1186 HydrophobicContact CG-CG 4.32Å; M1184-L1186 HydrophobicContact SD-CD2 3.82Å; M1184-L1186 HydrophobicContact SD-CG 4.49Å; M1184-V1195 HydrophobicContact CG-CG1 4.49Å; M1184-C1198 HydrophobicContact CE-CB 4.31Å |
| 1185 | Q | 94.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.8 | 178.5 | -64.8 | -178 | -32.9 | 0 | 0 | 110 | S1145 I1196 E1197 | S1145-Q1185 PolarHBondContact OG-NE2 3.01Å; Q1185-I1196 HydrophobicContact CB-CB 4.15Å; Q1185-I1196 HydrophobicContact CB-CD1 4.34Å; Q1185-I1196 WeakPolarHBondContact O-CB 3.29Å; Q1185-I1196 PolarHBondContact O-N 3.26Å; Q1185-E1197 HydrophobicContact CB-CG 4.15Å; Q1185-E1197 HydrophobicContact CG-CG 4.3Å; Q1185-E1197 PolarHBondContact N-O 3.39Å; Q1185-E1197 VanDerWaalsContact OE1-CG 3.23Å; Q1185-E1197 PolarHBondContact OE1-OE1 3.24Å |
| 1186 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.6 | -176.2 | -55.1 | 174.9 | 0 | 0 | 0 | 110 | E1117 I1118 V1120 I1165 V1168 M1184 L1193 Q1194 V1195 | E1117-L1186 CarbonylContact C-O 3.56Å; E1117-L1186 WeakPolarHBondContact CA-O 3.3Å; I1118-L1186 HydrophobicContact CB-CB 4.3Å; I1118-L1186 PolarHBondContact N-O 2.97Å; I1118-L1186 PolarHBondContact O-N 3.07Å; V1120-L1186 HydrophobicContact CG2-CD1 4.1Å; I1165-L1186 HydrophobicContact CB-CD1 4.33Å; I1165-L1186 HydrophobicContact CG1-CD1 3.99Å; I1165-L1186 HydrophobicContact CG2-CD1 3.83Å; V1168-L1186 HydrophobicContact CG1-CD2 3.88Å; M1184-L1186 HydrophobicContact CG-CD2 3.91Å; M1184-L1186 HydrophobicContact CG-CG 4.32Å; M1184-L1186 HydrophobicContact SD-CD2 3.82Å; M1184-L1186 HydrophobicContact SD-CG 4.49Å; L1186-L1193 HydrophobicContact CB-CD1 3.93Å; L1186-L1193 HydrophobicContact CD1-CD1 4.3Å; L1186-L1193 HydrophobicContact CD1-CD2 4.21Å; L1186-L1193 HydrophobicContact CD1-CG 4.46Å; L1186-Q1194 CarbonylContact C-O 3.52Å; L1186-Q1194 WeakPolarHBondContact CA-O 3.43Å; L1186-V1195 HydrophobicContact CD2-CB 4.22Å; L1186-V1195 HydrophobicContact CD2-CG1 4.42Å; L1186-V1195 HydrophobicContact CD2-CG2 3.79Å |
| 1187 | I | 94.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.046 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.4 | 174.4 | -165.8 | 159.4 | 0 | 0 | 0 | 109.5 | I1112 A1115 K1116 A1141 L1193 Q1194 I1196 | I1112-I1187 HydrophobicContact CB-CD1 3.77Å; I1112-I1187 HydrophobicContact CD1-CD1 4.37Å; I1112-I1187 HydrophobicContact CD1-CG2 4.13Å; I1112-I1187 HydrophobicContact CG2-CD1 4.16Å; A1115-I1187 HydrophobicContact CB-CD1 3.63Å; A1115-I1187 HydrophobicContact CB-CG1 3.31Å; K1116-I1187 WeakPolarHBondContact O-CA 3.37Å; A1141-I1187 HydrophobicContact CB-CD1 3.44Å; A1141-I1187 VanDerWaalsContact CB-CD1 3.44Å; A1141-I1187 HydrophobicContact CB-CG1 3.96Å; I1187-L1193 WeakPolarHBondContact O-CA 3.28Å; I1187-Q1194 HydrophobicContact CG2-CB 3.72Å; I1187-Q1194 HydrophobicContact CG2-CG 4.5Å; I1187-Q1194 PolarHBondContact N-O 2.74Å; I1187-Q1194 PolarHBondContact O-N 3.4Å; I1187-I1196 HydrophobicContact CB-CD1 4.05Å; I1187-I1196 HydrophobicContact CB-CG1 4.14Å; I1187-I1196 HydrophobicContact CG2-CG1 4.21Å |
| 1188 | A | 91.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 17% | 0.165 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1116 I1118 K1192 L1193 | K1116-A1188 PolarHBondContact N-O 3.27Å; K1116-A1188 PolarHBondContact O-N 3.49Å; I1118-A1188 HydrophobicContact CD1-CB 3.94Å; A1188-K1192 WeakPolarHBondContact CA-O 3.31Å; A1188-L1193 HydrophobicContact CB-CD1 4Å |
| 1189 | K | 89.3 | Confident | 93 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 135.9 | 174.9 | -168.9 | 176.7 | -179.5 | 176 | 0 | 110.8 | I1112 T1113 A1115 D1191 K1192 | I1112-K1189 HydrophobicContact CG2-CD 3.94Å; T1113-K1189 PolarHBondContact O-NZ 2.99Å; A1115-K1189 HydrophobicContact CB-CB 3.86Å; A1115-K1189 HydrophobicContact CB-CD 4.11Å; A1115-K1189 HydrophobicContact CB-CG 4.36Å; K1189-D1191 VanDerWaalsContact C-N 3.32Å; K1189-D1191 PolarHBondContact O-N 3Å; K1189-K1192 PolarHBondContact N-O 2.72Å; K1189-K1192 WeakPolarHBondContact O-CA 3.37Å; K1189-K1192 WeakPolarHBondContact O-CB 3.4Å; K1189-K1192 PolarHBondContact O-N 2.82Å |
| 1190 | D | 84.3 | Confident | 92.9 | Very high | 138 Ų | 138 | 29.2 Ų | 29.2 | 74% | 0.738 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 47.9 | 176.5 | -52.7 | -37.3 | 0 | 0 | 0 | 113.1 | K1192 | D1190-K1192 PolarHBondContact O-N 3.27Å; D1190-K1192 VanDerWaalsContact O-N 3.1Å |
| 1191 | D | 79.1 | Confident | 92.8 | Very high | 101 Ų | 101 | 30 Ų | 30 | 54% | 0.54 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 17.8 | -174.4 | -65.1 | -30.3 | 0 | 0 | 0 | 115.5 | K1189 | K1189-D1191 VanDerWaalsContact C-N 3.32Å; K1189-D1191 PolarHBondContact O-N 3Å |
| 1192 | K | 86.9 | Confident | 92.6 | Very high | 134 Ų | 134 | 30 Ų | 30 | 58% | 0.583 | 15% | 0.15 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.1 | 172.2 | -63 | 179.2 | -177.9 | 177.4 | 0 | 109.8 | A1188 K1189 D1190 | A1188-K1192 WeakPolarHBondContact CA-O 3.31Å; K1189-K1192 PolarHBondContact N-O 2.72Å; K1189-K1192 WeakPolarHBondContact O-CA 3.37Å; K1189-K1192 WeakPolarHBondContact O-CB 3.4Å; K1189-K1192 PolarHBondContact O-N 2.82Å; D1190-K1192 PolarHBondContact O-N 3.27Å; D1190-K1192 VanDerWaalsContact O-N 3.1Å |
| 1193 | L | 92.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.9 | 173.2 | -170.1 | 70.4 | 0 | 0 | 0 | 108.9 | I1118 T1161 D1164 I1165 V1168 L1186 I1187 A1188 | I1118-L1193 HydrophobicContact CD1-CD1 4.32Å; T1161-L1193 HydrophobicContact CG2-CD1 4.46Å; D1164-L1193 HydrophobicContact CB-CB 4.47Å; D1164-L1193 HydrophobicContact CB-CD2 3.8Å; I1165-L1193 HydrophobicContact CB-CD2 4.23Å; I1165-L1193 HydrophobicContact CG1-CD1 4.2Å; I1165-L1193 HydrophobicContact CG1-CD2 3.58Å; V1168-L1193 HydrophobicContact CG2-CD2 4.12Å; L1186-L1193 HydrophobicContact CB-CD1 3.93Å; L1186-L1193 HydrophobicContact CD1-CD1 4.3Å; L1186-L1193 HydrophobicContact CD1-CD2 4.21Å; L1186-L1193 HydrophobicContact CD1-CG 4.46Å; I1187-L1193 WeakPolarHBondContact O-CA 3.28Å; A1188-L1193 HydrophobicContact CB-CD1 4Å |
| 1194 | Q | 94.7 | Very high | 92 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.6 | 179.9 | -50.2 | -177.8 | -89.1 | 0 | 0 | 110.5 | L1044 Q1045 L1186 I1187 | L1044-Q1194 HydrophobicContact CB-CB 4.31Å; L1044-Q1194 HydrophobicContact CB-CG 3.81Å; L1044-Q1194 CarbonylContact O-C 3.59Å; L1044-Q1194 WeakPolarHBondContact O-CA 3.43Å; Q1045-Q1194 VanDerWaalsContact C-NE2 3.33Å; Q1045-Q1194 PolarHBondContact O-NE2 2.92Å; L1186-Q1194 CarbonylContact C-O 3.52Å; L1186-Q1194 WeakPolarHBondContact CA-O 3.43Å; I1187-Q1194 HydrophobicContact CG2-CB 3.72Å; I1187-Q1194 HydrophobicContact CG2-CG 4.5Å; I1187-Q1194 PolarHBondContact N-O 2.74Å; I1187-Q1194 PolarHBondContact O-N 3.4Å |
| 1195 | V | 95.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.2 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | F1031 L1035 I1043 L1044 P1046 V1168 M1184 L1186 | F1031-V1195 HydrophobicContact CE1-CG1 4.19Å; F1031-V1195 HydrophobicContact CZ-CG1 3.94Å; L1035-V1195 HydrophobicContact CD1-CB 3.89Å; L1035-V1195 HydrophobicContact CD1-CG1 3.89Å; L1035-V1195 HydrophobicContact CD2-CB 4.29Å; L1035-V1195 HydrophobicContact CD2-CG1 4.25Å; L1035-V1195 HydrophobicContact CD2-CG2 4.35Å; I1043-V1195 HydrophobicContact CG2-CG2 3.84Å; L1044-V1195 PolarHBondContact O-N 3.43Å; P1046-V1195 WeakPolarHBondContact CD-O 3.49Å; V1168-V1195 HydrophobicContact CG1-CG2 3.5Å; M1184-V1195 HydrophobicContact CG-CG1 4.49Å; L1186-V1195 HydrophobicContact CD2-CB 4.22Å; L1186-V1195 HydrophobicContact CD2-CG1 4.42Å; L1186-V1195 HydrophobicContact CD2-CG2 3.79Å |
| 1196 | I | 90.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -53.4 | 174.3 | -55.5 | 177 | 0 | 0 | 0 | 110.1 | R1071 E1117 Q1185 I1187 | R1071-I1196 PolarHBondContact NH1-O 2.95Å; R1071-I1196 PolarHBondContact NH2-O 3.4Å; E1117-I1196 HydrophobicContact CG-CD1 4.21Å; Q1185-I1196 HydrophobicContact CB-CB 4.15Å; Q1185-I1196 HydrophobicContact CB-CD1 4.34Å; Q1185-I1196 WeakPolarHBondContact O-CB 3.29Å; Q1185-I1196 PolarHBondContact O-N 3.26Å; I1187-I1196 HydrophobicContact CB-CD1 4.05Å; I1187-I1196 HydrophobicContact CB-CG1 4.14Å; I1187-I1196 HydrophobicContact CG2-CG1 4.21Å |
| 1197 | E | 91.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 161.8 | 179.4 | 56.7 | 178.8 | -136.9 | 0 | 0 | 112.1 | R1028 R1071 Q1185 N1199 | R1028-E1197 IonicContact CZ-OE2 3.86Å; R1028-E1197 IonicContact NH2-OE2 2.68Å; R1028-E1197 PolarHBondContact NH2-OE2 3.29Å; R1071-E1197 IonicContact NH2-OE2 2.78Å; R1071-E1197 PolarHBondContact NH2-OE2 3.1Å; Q1185-E1197 HydrophobicContact CB-CG 4.15Å; Q1185-E1197 HydrophobicContact CG-CG 4.3Å; Q1185-E1197 PolarHBondContact N-O 3.39Å; Q1185-E1197 VanDerWaalsContact OE1-CG 3.23Å; Q1185-E1197 PolarHBondContact OE1-OE1 3.24Å; E1197-N1199 PolarHBondContact OE1-ND2 2.95Å |
| 1198 | C | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 118.7 | 170.2 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | F1031 V1172 L1176 N1183 M1184 | F1031-C1198 HydrophobicContact CE2-CB 3.75Å; F1031-C1198 HydrophobicContact CZ-CB 3.68Å; V1172-C1198 HydrophobicContact CG1-CB 4.32Å; L1176-C1198 HydrophobicContact CD1-CB 4.46Å; N1183-C1198 CarbonylContact O-C 3.31Å; N1183-C1198 VanDerWaalsContact O-CA 3.31Å; N1183-C1198 WeakPolarHBondContact O-CA 3.2Å; M1184-C1198 HydrophobicContact CE-CB 4.31Å |
| 1199 | N | 93.9 | Very high | 91.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.4 | 178.7 | -62.3 | -49.9 | 0 | 0 | 0 | 108 | F1182 N1183 E1197 R1201 | F1182-N1199 CarbonylContact C-O 3.52Å; F1182-N1199 VanDerWaalsContact CA-O 3.29Å; F1182-N1199 WeakPolarHBondContact CA-O 3.41Å; F1182-N1199 WeakPolarHBondContact CB-O 3.24Å; N1183-N1199 PolarHBondContact N-O 2.85Å; N1183-N1199 PolarHBondContact O-N 3.25Å; E1197-N1199 PolarHBondContact OE1-ND2 2.95Å; N1199-R1201 HydrophobicContact CB-CG 4.48Å; N1199-R1201 PolarHBondContact O-N 3.42Å |
| 1200 | V | 95.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -87.2 | 62.3 | -173.2 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | T1017 A1025 L1176 I1178 P1181 | T1017-V1200 HydrophobicContact CG2-CG1 3.75Å; T1017-V1200 WeakPolarHBondContact OG1-CG1 3.35Å; A1025-V1200 HydrophobicContact CB-CG2 3.42Å; A1025-V1200 VanDerWaalsContact CB-CG2 3.42Å; L1176-V1200 HydrophobicContact CD1-CG2 4.14Å; I1178-V1200 HydrophobicContact CD1-CG1 4.3Å; I1178-V1200 HydrophobicContact CD1-CG2 4.18Å; I1178-V1200 HydrophobicContact CG1-CG1 4.06Å; I1178-V1200 HydrophobicContact CG1-CG2 4.48Å; I1178-V1200 HydrophobicContact CG2-CG1 3.99Å; P1181-V1200 CarbonylContact O-C 3.45Å |
| 1201 | R | 95.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 21.6 Ų | 21.6 | 6% | 0.064 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -165.4 | 172.8 | 179.7 | 49.9 | 175.4 | 176.4 | 95.7 | -2.8 | 110 | C994 G997 Q998 N1001 P1181 F1182 N1199 | C994-R1201 HydrophobicContact CB-CB 4.34Å; C994-R1201 WeakPolarHBondContact O-CB 3.38Å; G997-R1201 VanDerWaalsContact C-CD 3.45Å; G997-R1201 VanDerWaalsContact O-CD 3.26Å; G997-R1201 WeakPolarHBondContact O-CD 3.46Å; Q998-R1201 VanDerWaalsContact OE1-CZ 3.3Å; N1001-R1201 WeakPolarHBondContact ND2-CD 3.3Å; P1181-R1201 CarbonylContact O-C 3.37Å; P1181-R1201 WeakPolarHBondContact O-CA 3.3Å; P1181-R1201 PolarHBondContact O-N 2.8Å; P1181-R1201 VanDerWaalsContact O-N 3.15Å; F1182-R1201 WeakPolarHBondContact CA-O 3.44Å; N1199-R1201 HydrophobicContact CB-CG 4.48Å; N1199-R1201 PolarHBondContact O-N 3.42Å |
| 1202 | A | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -55.3 | 152.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F931 C934 C994 M995 P1181 I1218 | F931-A1202 WeakPolarHBondContact CE1-O 3.22Å; C934-A1202 HydrophobicContact CB-CB 4.17Å; C994-A1202 WeakPolarHBondContact O-CB 3.49Å; C994-A1202 PolarHBondContact O-N 2.94Å; M995-A1202 HydrophobicContact SD-CB 4.49Å; P1181-A1202 HydrophobicContact CB-CB 4.44Å; P1181-A1202 HydrophobicContact CG-CB 4.27Å; A1202-I1218 HydrophobicContact CB-CD1 4.31Å | ||
| 1203 | S | 92.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 8% | 0.077 | 6% | 0.055 | C | C | . | . | trans | -118.3 | 175.7 | 178.8 | 84.6 | 0 | 0 | 0 | 0 | 110.8 | D1121 S1205 F1206 | D1121-S1203 PolarHBondContact OD1-OG 3.48Å; S1203-S1205 VanDerWaalsContact C-N 3.26Å; S1203-S1205 PolarHBondContact O-N 2.81Å; S1203-S1205 PolarHBondContact OG-N 3.37Å; S1203-S1205 VanDerWaalsContact OG-N 3.09Å; S1203-S1205 PolarHBondContact OG-OG 3.22Å; S1203-F1206 PolarHBondContact O-N 3.44Å; S1203-F1206 WeakPolarHBondContact OG-CD2 3.36Å; S1203-F1206 PolarHBondContact OG-N 3.02Å | ||
| 1204 | R | 88.5 | Confident | 93.2 | Very high | 23 Ų | 23 | 13.1 Ų | 13.1 | 9% | 0.087 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.4 | 172.9 | -75.7 | -175 | 161.6 | -125.3 | 0.8 | 113.1 | G926 E930 F931 P1207 M1265 | G926-R1204 VanDerWaalsContact C-NE 3.29Å; G926-R1204 VanDerWaalsContact CA-NH2 3.32Å; G926-R1204 VanDerWaalsContact N-NH2 3.14Å; G926-R1204 PolarHBondContact O-NE 2.96Å; E930-R1204 HydrophobicContact CB-CB 4.32Å; E930-R1204 HydrophobicContact CB-CG 4.2Å; E930-R1204 HydrophobicContact CG-CB 3.89Å; E930-R1204 HydrophobicContact CG-CG 3.89Å; E930-R1204 IonicContact OE1-CZ 2.77Å; E930-R1204 VanDerWaalsContact OE1-CZ 3.27Å; E930-R1204 IonicContact OE1-NE 2.7Å; E930-R1204 IonicContact OE1-NH1 3.13Å; E930-R1204 PolarHBondContact OE1-NH1 3.42Å; E930-R1204 IonicContact OE2-CZ 2.91Å; E930-R1204 IonicContact OE2-NE 2.75Å; E930-R1204 IonicContact OE2-NH1 2.94Å; E930-R1204 IonicContact OE2-NH2 3.97Å; F931-R1204 HydrophobicContact CE2-CG 4.03Å; F931-R1204 HydrophobicContact CZ-CG 4.11Å; R1204-P1207 WeakPolarHBondContact O-CD 3.44Å; R1204-M1265 VanDerWaalsContact CZ-CE 3.43Å |
| 1205 | S | 92.7 | Very high | 93 | Very high | 6 Ų | 6 | 13.9 Ų | 13.9 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.5 | -178.6 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | D1121 S1203 F1208 V1209 | D1121-S1205 PolarHBondContact OD1-OG 3.48Å; D1121-S1205 VanDerWaalsContact OD1-OG 3.11Å; D1121-S1205 WeakPolarHBondContact OD2-CB 3.4Å; D1121-S1205 PolarHBondContact OD2-OG 2.92Å; S1203-S1205 VanDerWaalsContact C-N 3.26Å; S1203-S1205 PolarHBondContact O-N 2.81Å; S1203-S1205 PolarHBondContact OG-N 3.37Å; S1203-S1205 VanDerWaalsContact OG-N 3.09Å; S1203-S1205 PolarHBondContact OG-OG 3.22Å; S1205-F1208 CarbonylContact O-C 3.59Å; S1205-F1208 WeakPolarHBondContact O-CA 3.23Å; S1205-F1208 WeakPolarHBondContact O-CB 3.18Å; S1205-F1208 PolarHBondContact O-N 2.81Å; S1205-V1209 WeakPolarHBondContact O-CG2 3.23Å; S1205-V1209 PolarHBondContact O-N 2.85Å |
| 1206 | F | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.4 | -50.4 | 176.8 | -98.6 | -107.7 | 0 | 0 | 0 | 113.6 | D1121 A1122 V1123 P1181 S1203 F1208 V1209 S1210 F1217 I1218 | D1121-F1206 HydrophobicContact CB-CD2 3.93Å; D1121-F1206 HydrophobicContact CB-CE2 3.69Å; D1121-F1206 HydrophobicContact CB-CZ 4.3Å; D1121-F1206 VanDerWaalsContact OD1-CD2 3.29Å; D1121-F1206 WeakPolarHBondContact OD1-CD2 3.36Å; D1121-F1206 WeakPolarHBondContact OD1-CE2 3.36Å; A1122-F1206 WeakPolarHBondContact O-CZ 3.46Å; V1123-F1206 HydrophobicContact CG2-CE1 4.19Å; P1181-F1206 HydrophobicContact CB-CE1 3.62Å; P1181-F1206 HydrophobicContact CB-CE2 4.34Å; P1181-F1206 HydrophobicContact CB-CZ 3.5Å; P1181-F1206 VanDerWaalsContact CB-CZ 3.5Å; S1203-F1206 PolarHBondContact O-N 3.44Å; S1203-F1206 WeakPolarHBondContact OG-CD2 3.36Å; S1203-F1206 PolarHBondContact OG-N 3.02Å; F1206-F1208 VanDerWaalsContact C-N 3.27Å; F1206-F1208 PolarHBondContact O-N 3.11Å; F1206-V1209 WeakPolarHBondContact O-CG2 3.28Å; F1206-S1210 VanDerWaalsContact O-CB 3.27Å; F1206-S1210 WeakPolarHBondContact O-CB 3.46Å; F1206-S1210 PolarHBondContact O-N 3.46Å; F1206-S1210 PolarHBondContact O-OG 3.33Å; F1206-F1217 HydrophobicContact CD1-CB 3.66Å; F1206-F1217 HydrophobicContact CE1-CB 3.7Å; F1206-F1217 HydrophobicContact CE1-CD1 4.43Å; F1206-F1217 HydrophobicContact CE1-CG 4.44Å; F1206-I1218 HydrophobicContact CB-CD1 4.27Å; F1206-I1218 HydrophobicContact CD1-CD1 3.57Å; F1206-I1218 HydrophobicContact CD1-CG1 4.32Å; F1206-I1218 HydrophobicContact CE1-CD1 4.31Å; F1206-I1218 HydrophobicContact CG-CD1 4.23Å |
| 1207 | P | 92.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 174.2 | -26.5 | 35.5 | 0 | 0 | 0 | 113.4 | E930 C933 R1204 K1211 | E930-P1207 HydrophobicContact CB-CG 4.13Å; C933-P1207 HydrophobicContact CB-CG 4.2Å; R1204-P1207 WeakPolarHBondContact O-CD 3.44Å; P1207-K1211 VanDerWaalsContact O-CG 3.3Å; P1207-K1211 WeakPolarHBondContact O-CG 3.24Å; P1207-K1211 PolarHBondContact O-N 2.78Å; P1207-K1211 PolarHBondContact O-NZ 2.83Å |
| 1208 | F | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -54.4 | 178.3 | 165.9 | -114.4 | 0 | 0 | 0 | 111.8 | V412 L1150 T1152 S1205 F1206 S1210 K1211 A1212 C1243 K1245 A1272 | V412-F1208 HydrophobicContact CG1-CB 3.99Å; V412-F1208 HydrophobicContact CG1-CD2 4.31Å; V412-F1208 HydrophobicContact CG2-CB 4.37Å; V412-F1208 HydrophobicContact CG2-CD2 4.28Å; L1150-F1208 HydrophobicContact CB-CE1 3.94Å; L1150-F1208 HydrophobicContact CD1-CE1 4.49Å; T1152-F1208 WeakPolarHBondContact OG1-CE1 3.48Å; T1152-F1208 WeakPolarHBondContact OG1-CZ 3.23Å; S1205-F1208 CarbonylContact O-C 3.59Å; S1205-F1208 WeakPolarHBondContact O-CA 3.23Å; S1205-F1208 WeakPolarHBondContact O-CB 3.18Å; S1205-F1208 PolarHBondContact O-N 2.81Å; F1206-F1208 VanDerWaalsContact C-N 3.27Å; F1206-F1208 PolarHBondContact O-N 3.11Å; F1208-S1210 VanDerWaalsContact C-N 3.29Å; F1208-S1210 PolarHBondContact O-N 2.89Å; F1208-K1211 PolarHBondContact O-N 2.67Å; F1208-A1212 HydrophobicContact CE2-CB 4.28Å; F1208-A1212 VanDerWaalsContact O-CB 3.22Å; F1208-A1212 WeakPolarHBondContact O-CB 3.14Å; F1208-A1212 PolarHBondContact O-N 3.21Å; F1208-C1243 HydrophobicContact CE2-CB 3.88Å; F1208-C1243 HydrophobicContact CZ-CB 4.29Å; F1208-K1245 HydrophobicContact CD1-CB 4.35Å; F1208-K1245 HydrophobicContact CD2-CB 4.13Å; F1208-K1245 HydrophobicContact CE1-CB 4.09Å; F1208-K1245 HydrophobicContact CE2-CB 3.88Å; F1208-K1245 HydrophobicContact CG-CB 4.36Å; F1208-K1245 HydrophobicContact CZ-CB 3.87Å; F1208-A1272 HydrophobicContact CD2-CB 3.72Å; F1208-A1272 HydrophobicContact CE2-CB 3.8Å |
| 1209 | V | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | -179.2 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | D1121 A1133 T1152 S1205 F1206 K1211 L1213 F1217 | D1121-V1209 HydrophobicContact CB-CG2 3.99Å; D1121-V1209 WeakPolarHBondContact OD2-CG1 3.31Å; A1133-V1209 HydrophobicContact CB-CB 3.84Å; A1133-V1209 HydrophobicContact CB-CG1 4.05Å; A1133-V1209 HydrophobicContact CB-CG2 4.15Å; T1152-V1209 HydrophobicContact CG2-CG1 4.41Å; S1205-V1209 WeakPolarHBondContact O-CG2 3.23Å; S1205-V1209 PolarHBondContact O-N 2.85Å; F1206-V1209 WeakPolarHBondContact O-CG2 3.28Å; V1209-K1211 VanDerWaalsContact C-N 3.3Å; V1209-K1211 PolarHBondContact O-N 2.78Å; V1209-L1213 VanDerWaalsContact O-CB 3.3Å; V1209-L1213 WeakPolarHBondContact O-CB 3.44Å; V1209-L1213 WeakPolarHBondContact O-CG 3.49Å; V1209-L1213 PolarHBondContact O-N 3.17Å; V1209-F1217 HydrophobicContact CG2-CD2 4.18Å; V1209-F1217 HydrophobicContact CG2-CE2 4.24Å |
| 1210 | S | 94.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 14.8 Ų | 14.8 | 12% | 0.119 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -40 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | F1206 F1208 G1214 Y1215 F1217 | F1206-S1210 VanDerWaalsContact O-CB 3.27Å; F1206-S1210 WeakPolarHBondContact O-CB 3.46Å; F1206-S1210 PolarHBondContact O-N 3.46Å; F1206-S1210 PolarHBondContact O-OG 3.33Å; F1208-S1210 VanDerWaalsContact C-N 3.29Å; F1208-S1210 PolarHBondContact O-N 2.89Å; S1210-G1214 WeakPolarHBondContact O-CA 3.33Å; S1210-G1214 PolarHBondContact O-N 2.85Å; S1210-G1214 VanDerWaalsContact O-N 3.09Å; S1210-Y1215 WeakPolarHBondContact CA-O 3.48Å; S1210-Y1215 VanDerWaalsContact CB-O 3.26Å; S1210-Y1215 WeakPolarHBondContact CB-O 3.23Å; S1210-Y1215 PolarHBondContact O-N 3.09Å; S1210-F1217 PolarHBondContact OG-N 2.65Å |
| 1211 | K | 92.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 14.7 Ų | 14.7 | 7% | 0.074 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -79.4 | -43.4 | 178 | -68.3 | 178.3 | -175.3 | 90.9 | 0 | 112.1 | V412 T417 F427 P1207 F1208 V1209 L1213 G1214 I1445 | V412-K1211 HydrophobicContact CG2-CB 4.18Å; V412-K1211 HydrophobicContact CG2-CD 3.67Å; V412-K1211 HydrophobicContact CG2-CG 4.5Å; V412-K1211 WeakPolarHBondContact O-CE 3.26Å; V412-K1211 PolarHBondContact O-NZ 2.72Å; T417-K1211 WeakPolarHBondContact O-CE 3.32Å; T417-K1211 VanDerWaalsContact OG1-CE 3.22Å; T417-K1211 WeakPolarHBondContact OG1-CE 3.41Å; F427-K1211 HydrophobicContact CE1-CD 4.13Å; F427-K1211 HydrophobicContact CZ-CD 3.8Å; P1207-K1211 VanDerWaalsContact O-CG 3.3Å; P1207-K1211 WeakPolarHBondContact O-CG 3.24Å; P1207-K1211 PolarHBondContact O-N 2.78Å; P1207-K1211 PolarHBondContact O-NZ 2.83Å; F1208-K1211 PolarHBondContact O-N 2.67Å; V1209-K1211 VanDerWaalsContact C-N 3.3Å; V1209-K1211 PolarHBondContact O-N 2.78Å; K1211-L1213 PolarHBondContact O-N 3.35Å; K1211-G1214 PolarHBondContact O-N 2.78Å; K1211-I1445 HydrophobicContact CB-CD1 3.85Å; K1211-I1445 HydrophobicContact CG-CD1 4.12Å |
| 1212 | A | 92.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.3 | -33.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1152 F1208 H1239 C1243 | T1152-A1212 HydrophobicContact CG2-CB 4.08Å; F1208-A1212 HydrophobicContact CE2-CB 4.28Å; F1208-A1212 VanDerWaalsContact O-CB 3.22Å; F1208-A1212 WeakPolarHBondContact O-CB 3.14Å; F1208-A1212 PolarHBondContact O-N 3.21Å; A1212-H1239 PolarHBondContact O-NE2 2.95Å; A1212-C1243 HydrophobicContact CB-CB 3.51Å |
| 1213 | L | 93.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -104.6 | -6.6 | -177.7 | -58.1 | 175.6 | 0 | 0 | 0 | 113.5 | A1133 T1152 P1153 V1209 K1211 Y1215 F1217 V1236 | A1133-L1213 HydrophobicContact CB-CD1 3.46Å; A1133-L1213 VanDerWaalsContact CB-CD1 3.46Å; T1152-L1213 HydrophobicContact CG2-CD1 4.22Å; T1152-L1213 HydrophobicContact CG2-CD2 3.93Å; T1152-L1213 HydrophobicContact CG2-CG 4.01Å; P1153-L1213 HydrophobicContact CB-CD2 4.31Å; V1209-L1213 VanDerWaalsContact O-CB 3.3Å; V1209-L1213 WeakPolarHBondContact O-CB 3.44Å; V1209-L1213 WeakPolarHBondContact O-CG 3.49Å; V1209-L1213 PolarHBondContact O-N 3.17Å; K1211-L1213 PolarHBondContact O-N 3.35Å; L1213-Y1215 VanDerWaalsContact C-N 3.34Å; L1213-F1217 HydrophobicContact CD1-CE2 4.47Å; L1213-V1236 HydrophobicContact CB-CB 4.5Å; L1213-V1236 HydrophobicContact CB-CG1 3.81Å; L1213-V1236 HydrophobicContact CD1-CB 4.02Å; L1213-V1236 HydrophobicContact CD1-CG1 4.24Å |
| 1214 | G | 88.3 | Confident | 94.3 | Very high | 60 Ų | 60 | 16.6 Ų | 16.6 | 62% | 0.619 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 32.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | S1210 K1211 | S1210-G1214 WeakPolarHBondContact O-CA 3.33Å; S1210-G1214 PolarHBondContact O-N 2.85Å; S1210-G1214 VanDerWaalsContact O-N 3.09Å; K1211-G1214 PolarHBondContact O-N 2.78Å |
| 1215 | Y | 91.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 15.5 Ų | 15.5 | 22% | 0.22 | 9% | 0.09 | C | C | . | . | trans | -134.2 | 127.3 | -178 | -171.9 | -88.8 | 0 | 0 | 0 | 110.8 | C1131 S1210 L1213 F1217 T1220 V1233 V1236 | C1131-Y1215 HydrophobicContact CB-CE1 4.03Å; S1210-Y1215 WeakPolarHBondContact CA-O 3.48Å; S1210-Y1215 VanDerWaalsContact CB-O 3.26Å; S1210-Y1215 WeakPolarHBondContact CB-O 3.23Å; S1210-Y1215 PolarHBondContact O-N 3.09Å; L1213-Y1215 VanDerWaalsContact C-N 3.34Å; Y1215-F1217 AromaticContact CD1-CD2 3.94Å; Y1215-F1217 HydrophobicContact CD1-CD2 3.94Å; Y1215-F1217 AromaticContact CD1-CE2 3.9Å; Y1215-F1217 HydrophobicContact CD1-CE2 3.9Å; Y1215-F1217 HydrophobicContact CD1-CG 4.39Å; Y1215-F1217 HydrophobicContact CD1-CZ 4.33Å; Y1215-F1217 VanDerWaalsContact O-CD2 3.25Å; Y1215-F1217 WeakPolarHBondContact O-CD2 3.3Å; Y1215-F1217 PolarHBondContact O-N 2.96Å; Y1215-T1220 WeakPolarHBondContact CE1-OG1 3.43Å; Y1215-T1220 PolarHBondContact OH-OG1 3.37Å; Y1215-V1233 HydrophobicContact CE2-CG1 4.44Å; Y1215-V1233 HydrophobicContact CE2-CG2 3.96Å; Y1215-V1233 WeakPolarHBondContact OH-CG2 3.37Å; Y1215-V1236 HydrophobicContact CD1-CG2 4.37Å; Y1215-V1236 HydrophobicContact CG-CG1 4.37Å; Y1215-V1236 HydrophobicContact CG-CG2 4.34Å | ||
| 1216 | D | 92.6 | Very high | 94.8 | Very high | 75 Ų | 75 | 16.9 Ų | 16.9 | 40% | 0.401 | 10% | 0.097 | S | C | . | . | trans | -83.1 | 97.2 | -177 | -164.8 | -28.1 | 0 | 0 | 0 | 112 | I1218 A1219 T1220 | D1216-I1218 VanDerWaalsContact C-N 3.33Å; D1216-I1218 PolarHBondContact OD1-N 2.86Å; D1216-A1219 HydrophobicContact CB-CB 3.91Å; D1216-A1219 VanDerWaalsContact CG-CB 3.44Å; D1216-A1219 PolarHBondContact OD1-N 2.73Å; D1216-T1220 WeakPolarHBondContact O-CB 3.47Å; D1216-T1220 PolarHBondContact O-N 2.69Å; D1216-T1220 PolarHBondContact O-OG1 2.88Å | ||
| 1217 | F | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.2 | -30.4 | 177.4 | -75.7 | -102.7 | 0 | 0 | 0 | 112.4 | V1123 C1131 A1133 F1206 V1209 S1210 L1213 Y1215 A1221 V1236 | V1123-F1217 HydrophobicContact CG2-CB 4.42Å; V1123-F1217 HydrophobicContact CG2-CD1 4.19Å; V1123-F1217 WeakPolarHBondContact CG2-O 3.32Å; C1131-F1217 HydrophobicContact CB-CE1 4.23Å; A1133-F1217 HydrophobicContact CB-CE1 4.32Å; A1133-F1217 HydrophobicContact CB-CE2 4.45Å; A1133-F1217 HydrophobicContact CB-CZ 3.79Å; F1206-F1217 HydrophobicContact CD1-CB 3.66Å; F1206-F1217 HydrophobicContact CE1-CB 3.7Å; F1206-F1217 HydrophobicContact CE1-CD1 4.43Å; F1206-F1217 HydrophobicContact CE1-CG 4.44Å; V1209-F1217 HydrophobicContact CG2-CD2 4.18Å; V1209-F1217 HydrophobicContact CG2-CE2 4.24Å; S1210-F1217 PolarHBondContact OG-N 2.65Å; L1213-F1217 HydrophobicContact CD1-CE2 4.47Å; Y1215-F1217 AromaticContact CD1-CD2 3.94Å; Y1215-F1217 HydrophobicContact CD1-CD2 3.94Å; Y1215-F1217 AromaticContact CD1-CE2 3.9Å; Y1215-F1217 HydrophobicContact CD1-CE2 3.9Å; Y1215-F1217 HydrophobicContact CD1-CG 4.39Å; Y1215-F1217 HydrophobicContact CD1-CZ 4.33Å; Y1215-F1217 VanDerWaalsContact O-CD2 3.25Å; Y1215-F1217 WeakPolarHBondContact O-CD2 3.3Å; Y1215-F1217 PolarHBondContact O-N 2.96Å; F1217-A1221 VanDerWaalsContact O-CB 3.24Å; F1217-A1221 WeakPolarHBondContact O-CB 3.42Å; F1217-A1221 PolarHBondContact O-N 3.36Å; F1217-V1236 HydrophobicContact CE2-CG2 4.36Å; F1217-V1236 HydrophobicContact CZ-CB 4.39Å; F1217-V1236 HydrophobicContact CZ-CG2 3.75Å |
| 1218 | I | 95.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 5% | 0.046 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.1 | -42.5 | -177.2 | -63.2 | -60.2 | 0 | 0 | 0 | 110.7 | C934 C938 M995 A1202 F1206 D1216 T1220 A1221 T1222 | C934-I1218 HydrophobicContact CB-CD1 3.79Å; C934-I1218 HydrophobicContact CB-CG1 4.31Å; C934-I1218 VanDerWaalsContact O-CG2 3.28Å; C934-I1218 WeakPolarHBondContact O-CG2 3.37Å; C938-I1218 HydrophobicContact CB-CG2 4.38Å; M995-I1218 HydrophobicContact SD-CD1 4.23Å; M995-I1218 HydrophobicContact SD-CG2 4.45Å; A1202-I1218 HydrophobicContact CB-CD1 4.31Å; F1206-I1218 HydrophobicContact CB-CD1 4.27Å; F1206-I1218 HydrophobicContact CD1-CD1 3.57Å; F1206-I1218 HydrophobicContact CD1-CG1 4.32Å; F1206-I1218 HydrophobicContact CE1-CD1 4.31Å; F1206-I1218 HydrophobicContact CG-CD1 4.23Å; D1216-I1218 VanDerWaalsContact C-N 3.33Å; D1216-I1218 PolarHBondContact OD1-N 2.86Å; I1218-T1220 VanDerWaalsContact C-N 3.29Å; I1218-T1220 PolarHBondContact O-N 2.93Å; I1218-A1221 PolarHBondContact O-N 2.95Å; I1218-T1222 WeakPolarHBondContact O-CB 3.03Å; I1218-T1222 PolarHBondContact O-N 3.03Å; I1218-T1222 PolarHBondContact O-OG1 3.39Å |
| 1219 | A | 95.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | E941 D1216 T1222 R1223 | E941-A1219 HydrophobicContact CG-CB 4.32Å; E941-A1219 WeakPolarHBondContact OE2-CB 3.44Å; D1216-A1219 HydrophobicContact CB-CB 3.91Å; D1216-A1219 VanDerWaalsContact CG-CB 3.44Å; D1216-A1219 PolarHBondContact OD1-N 2.73Å; A1219-T1222 PolarHBondContact O-N 3.43Å; A1219-R1223 PolarHBondContact O-N 3.03Å |
| 1220 | T | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | V1123 I1130 Y1215 D1216 I1218 T1222 R1223 V1224 V1230 | V1123-T1220 HydrophobicContact CB-CG2 4.39Å; V1123-T1220 HydrophobicContact CG1-CG2 4.12Å; I1130-T1220 HydrophobicContact CG2-CG2 4.05Å; Y1215-T1220 WeakPolarHBondContact CE1-OG1 3.43Å; Y1215-T1220 PolarHBondContact OH-OG1 3.37Å; D1216-T1220 WeakPolarHBondContact O-CB 3.47Å; D1216-T1220 PolarHBondContact O-N 2.69Å; D1216-T1220 PolarHBondContact O-OG1 2.88Å; I1218-T1220 VanDerWaalsContact C-N 3.29Å; I1218-T1220 PolarHBondContact O-N 2.93Å; T1220-T1222 VanDerWaalsContact C-N 3.32Å; T1220-T1222 PolarHBondContact O-N 3.14Å; T1220-R1223 PolarHBondContact O-N 3.38Å; T1220-R1223 PolarHBondContact OG1-NH2 2.81Å; T1220-R1223 VanDerWaalsContact OG1-NH2 3.16Å; T1220-V1224 WeakPolarHBondContact O-CG2 3.49Å; T1220-V1224 PolarHBondContact O-N 3.47Å; T1220-V1224 VanDerWaalsContact O-N 3.13Å; T1220-V1230 HydrophobicContact CG2-CG1 3.93Å |
| 1221 | A | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M995 V1123 P1181 F1217 I1218 V1224 V1225 | M995-A1221 HydrophobicContact CE-CB 4.1Å; V1123-A1221 HydrophobicContact CG1-CB 4.08Å; V1123-A1221 HydrophobicContact CG2-CB 3.9Å; P1181-A1221 HydrophobicContact CB-CB 4.04Å; P1181-A1221 HydrophobicContact CG-CB 4.11Å; F1217-A1221 VanDerWaalsContact O-CB 3.24Å; F1217-A1221 WeakPolarHBondContact O-CB 3.42Å; F1217-A1221 PolarHBondContact O-N 3.36Å; I1218-A1221 PolarHBondContact O-N 2.95Å; A1221-V1224 PolarHBondContact O-N 3.44Å; A1221-V1225 VanDerWaalsContact O-CG2 3.27Å; A1221-V1225 WeakPolarHBondContact O-CG2 3.25Å; A1221-V1225 PolarHBondContact O-N 2.63Å |
| 1222 | T | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | C938 E941 L942 I1218 A1219 T1220 V1224 V1225 L1226 | C938-T1222 WeakPolarHBondContact CA-OG1 3.28Å; E941-T1222 HydrophobicContact CB-CG2 3.89Å; E941-T1222 HydrophobicContact CG-CG2 3.86Å; L942-T1222 HydrophobicContact CD2-CG2 4.27Å; L942-T1222 HydrophobicContact CG-CG2 3.97Å; I1218-T1222 WeakPolarHBondContact O-CB 3.03Å; I1218-T1222 PolarHBondContact O-N 3.03Å; I1218-T1222 PolarHBondContact O-OG1 3.39Å; A1219-T1222 PolarHBondContact O-N 3.43Å; T1220-T1222 VanDerWaalsContact C-N 3.32Å; T1220-T1222 PolarHBondContact O-N 3.14Å; T1222-V1224 VanDerWaalsContact C-N 3.3Å; T1222-V1224 PolarHBondContact O-N 2.85Å; T1222-V1225 WeakPolarHBondContact O-CB 3.4Å; T1222-V1225 PolarHBondContact O-N 3.21Å; T1222-V1225 VanDerWaalsContact O-N 3.17Å; T1222-L1226 WeakPolarHBondContact O-CG 3.33Å; T1222-L1226 PolarHBondContact O-N 2.65Å |
| 1223 | R | 97.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 43.6 Ų | 43.6 | 25% | 0.249 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 173.2 | -72.1 | -172.2 | -68.3 | -88.3 | 1.8 | 112.6 | E941 A1219 T1220 L1226 G1227 H1228 V1230 | E941-R1223 HydrophobicContact CG-CG 4.24Å; E941-R1223 WeakPolarHBondContact OE1-CD 3.48Å; E941-R1223 WeakPolarHBondContact OE1-CG 3.49Å; E941-R1223 IonicContact OE1-CZ 3.97Å; E941-R1223 IonicContact OE1-NE 3.38Å; E941-R1223 IonicContact OE1-NH1 2.67Å; E941-R1223 PolarHBondContact OE1-NH1 3.32Å; E941-R1223 IonicContact OE2-NH1 3.96Å; E941-R1223 PolarHBondContact OE2-NH1 3.08Å; A1219-R1223 PolarHBondContact O-N 3.03Å; T1220-R1223 PolarHBondContact O-N 3.38Å; T1220-R1223 PolarHBondContact OG1-NH2 2.81Å; T1220-R1223 VanDerWaalsContact OG1-NH2 3.16Å; R1223-L1226 PolarHBondContact O-N 3.22Å; R1223-G1227 PolarHBondContact O-N 2.78Å; R1223-G1227 VanDerWaalsContact O-N 3.07Å; R1223-H1228 HydrophobicContact CB-CB 4.18Å; R1223-H1228 WeakPolarHBondContact O-CB 3.39Å; R1223-H1228 PolarHBondContact O-N 3.34Å; R1223-V1230 HydrophobicContact CB-CG2 3.66Å |
| 1224 | V | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | V1123 A1124 I1130 R1179 T1220 A1221 T1222 L1226 G1227 V1230 | V1123-V1224 HydrophobicContact CG1-CB 4.44Å; V1123-V1224 HydrophobicContact CG1-CG2 4.08Å; A1124-V1224 VanDerWaalsContact O-CG1 3.29Å; A1124-V1224 WeakPolarHBondContact O-CG1 3.31Å; I1130-V1224 HydrophobicContact CG1-CG2 4.29Å; R1179-V1224 HydrophobicContact CG-CG1 3.86Å; R1179-V1224 PolarHBondContact NE-O 3.25Å; T1220-V1224 WeakPolarHBondContact O-CG2 3.49Å; T1220-V1224 PolarHBondContact O-N 3.47Å; T1220-V1224 VanDerWaalsContact O-N 3.13Å; A1221-V1224 PolarHBondContact O-N 3.44Å; T1222-V1224 VanDerWaalsContact C-N 3.3Å; T1222-V1224 PolarHBondContact O-N 2.85Å; V1224-L1226 VanDerWaalsContact C-N 3.29Å; V1224-L1226 PolarHBondContact O-N 3.25Å; V1224-G1227 PolarHBondContact O-N 2.88Å; V1224-V1230 HydrophobicContact CG2-CB 4.4Å; V1224-V1230 HydrophobicContact CG2-CG2 3.95Å |
| 1225 | V | 97.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 174.7 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | I992 L1015 R1179 A1221 T1222 G1227 | I992-V1225 HydrophobicContact CD1-CG1 3.95Å; I992-V1225 HydrophobicContact CG1-CG1 3.93Å; L1015-V1225 HydrophobicContact CB-CG1 3.7Å; R1179-V1225 PolarHBondContact NH2-O 3.5Å; A1221-V1225 VanDerWaalsContact O-CG2 3.27Å; A1221-V1225 WeakPolarHBondContact O-CG2 3.25Å; A1221-V1225 PolarHBondContact O-N 2.63Å; T1222-V1225 WeakPolarHBondContact O-CB 3.4Å; T1222-V1225 PolarHBondContact O-N 3.21Å; T1222-V1225 VanDerWaalsContact O-N 3.17Å; V1225-G1227 PolarHBondContact O-N 2.77Å |
| 1226 | L | 95.3 | Very high | 93.6 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.4 | -14.6 | 173 | -68.4 | 176.5 | 0 | 0 | 0 | 114.1 | L942 A945 T1222 R1223 V1224 | L942-L1226 HydrophobicContact CD2-CD1 4.04Å; L942-L1226 HydrophobicContact CD2-CD2 3.73Å; L942-L1226 HydrophobicContact CD2-CG 4.16Å; A945-L1226 HydrophobicContact CB-CD1 3.88Å; T1222-L1226 WeakPolarHBondContact O-CG 3.33Å; T1222-L1226 PolarHBondContact O-N 2.65Å; R1223-L1226 PolarHBondContact O-N 3.22Å; V1224-L1226 VanDerWaalsContact C-N 3.29Å; V1224-L1226 PolarHBondContact O-N 3.25Å |
| 1227 | G | 91.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 17.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1223 V1224 V1225 | R1223-G1227 PolarHBondContact O-N 2.78Å; R1223-G1227 VanDerWaalsContact O-N 3.07Å; V1224-G1227 PolarHBondContact O-N 2.88Å; V1225-G1227 PolarHBondContact O-N 2.77Å |
| 1228 | H | 93 | Very high | 91.5 | Very high | 83 Ų | 83 | 44.8 Ų | 44.8 | 38% | 0.384 | 27% | 0.27 | S | S | . | . | trans | -69.3 | 147.4 | 172.7 | -66.8 | 176.8 | 0 | 0 | 0 | 110.8 | R1223 V1230 | R1223-H1228 HydrophobicContact CB-CB 4.18Å; R1223-H1228 WeakPolarHBondContact O-CB 3.39Å; R1223-H1228 PolarHBondContact O-N 3.34Å; H1228-V1230 PolarHBondContact O-N 2.9Å | ||
| 1229 | P | 88.2 | Confident | 90.1 | Very high | 131 Ų | 131 | 48.8 Ų | 48.8 | 85% | 0.851 | 29% | 0.288 | S | S | * | . | trans | -65.8 | 129.9 | 172.9 | 27.7 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 1230 | V | 91.4 | Very high | 88.6 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | trans | -129.5 | 134.7 | 177 | -172 | 0 | 0 | 0 | 0 | 109.1 | I1130 T1220 R1223 V1224 H1228 | I1130-V1230 HydrophobicContact CG2-CB 4.26Å; I1130-V1230 HydrophobicContact CG2-CG1 3.74Å; T1220-V1230 HydrophobicContact CG2-CG1 3.93Å; R1223-V1230 HydrophobicContact CB-CG2 3.66Å; V1224-V1230 HydrophobicContact CG2-CB 4.4Å; V1224-V1230 HydrophobicContact CG2-CG2 3.95Å; H1228-V1230 PolarHBondContact O-N 2.9Å | ||
| 1231 | E | 88.5 | Confident | 87.9 | Confident | 164 Ų | 164 | 52.7 Ų | 52.7 | 77% | 0.766 | 33% | 0.328 | S | S | * | . | trans | -70 | 138.5 | 176.9 | -172.9 | 176.2 | -179 | 0 | 0 | 111.5 | I1130 V1233 | I1130-E1231 WeakPolarHBondContact CG2-O 3.45Å; E1231-V1233 PolarHBondContact O-N 3.13Å | ||
| 1232 | E | 90.9 | Very high | 87.7 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | trans | -76.6 | 109.5 | 175.9 | -176.1 | 176.7 | 161.2 | 0 | 0 | 109.9 | R1128 I1130 K1170 | R1128-E1232 IonicContact CZ-OE2 2.96Å; R1128-E1232 IonicContact NE-OE2 2.78Å; R1128-E1232 PolarHBondContact NE-OE2 3.35Å; R1128-E1232 IonicContact NH2-OE2 2.85Å; R1128-E1232 PolarHBondContact NH2-OE2 3.44Å; I1130-E1232 CarbonylContact O-C 3.23Å; K1170-E1232 IonicContact NZ-OE1 3.66Å | ||
| 1233 | V | 89.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 42% | 0.418 | 33% | 0.332 | S | S | . | . | trans | -85.7 | -29.5 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | I1130 C1131 Y1215 E1231 V1236 | I1130-V1233 PolarHBondContact O-N 3.32Å; C1131-V1233 HydrophobicContact CB-CB 4.26Å; Y1215-V1233 HydrophobicContact CE2-CG1 4.44Å; Y1215-V1233 HydrophobicContact CE2-CG2 3.96Å; Y1215-V1233 WeakPolarHBondContact OH-CG2 3.37Å; E1231-V1233 PolarHBondContact O-N 3.13Å; V1233-V1236 HydrophobicContact CG1-CG2 4.25Å | ||
| 1234 | G | 92 | Very high | 87.5 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73 | -138.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1130 C1131 W1132 V1236 | I1130-G1234 PolarHBondContact O-N 2.88Å; C1131-G1234 WeakPolarHBondContact CA-O 3.44Å; W1132-G1234 PolarHBondContact N-O 2.94Å; W1132-G1234 VanDerWaalsContact NE1-C 3.29Å; G1234-V1236 PolarHBondContact O-N 3.28Å |
| 1235 | L | 91.1 | Very high | 87.5 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.4 | -178.7 | 178.6 | 66.5 | 0 | 0 | 0 | 109.6 | W1132 I1134 M1162 A1237 | W1132-L1235 HydrophobicContact CD2-CD1 4.13Å; W1132-L1235 HydrophobicContact CE3-CD1 4.18Å; W1132-L1235 HydrophobicContact CH2-CD1 4.36Å; W1132-L1235 HydrophobicContact CZ2-CB 3.91Å; W1132-L1235 HydrophobicContact CZ2-CD1 4.32Å; W1132-L1235 HydrophobicContact CZ3-CD1 4.3Å; W1132-L1235 VanDerWaalsContact NE1-N 3.18Å; I1134-L1235 HydrophobicContact CD1-CD1 3.98Å; I1134-L1235 HydrophobicContact CG1-CD1 3.87Å; M1162-L1235 HydrophobicContact CE-CD2 3.39Å; L1235-A1237 PolarHBondContact O-N 2.98Å |
| 1236 | V | 88.2 | Confident | 87.5 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | trans | -80 | 122.1 | -176.5 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | C1131 W1132 L1213 Y1215 F1217 V1233 G1234 | C1131-V1236 HydrophobicContact CB-CG2 4.34Å; W1132-V1236 PolarHBondContact O-N 3.45Å; W1132-V1236 VanDerWaalsContact O-N 3.12Å; L1213-V1236 HydrophobicContact CB-CB 4.5Å; L1213-V1236 HydrophobicContact CB-CG1 3.81Å; L1213-V1236 HydrophobicContact CD1-CB 4.02Å; L1213-V1236 HydrophobicContact CD1-CG1 4.24Å; Y1215-V1236 HydrophobicContact CD1-CG2 4.37Å; Y1215-V1236 HydrophobicContact CG-CG1 4.37Å; Y1215-V1236 HydrophobicContact CG-CG2 4.34Å; F1217-V1236 HydrophobicContact CE2-CG2 4.36Å; F1217-V1236 HydrophobicContact CZ-CB 4.39Å; F1217-V1236 HydrophobicContact CZ-CG2 3.75Å; V1233-V1236 HydrophobicContact CG1-CG2 4.25Å; G1234-V1236 PolarHBondContact O-N 3.28Å | ||
| 1237 | A | 74.2 | Confident | 87.4 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 76% | 0.76 | 32% | 0.316 | S | S | * | . | trans | -80.2 | -12.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1235 | L1235-A1237 PolarHBondContact O-N 2.98Š| ||
| 1238 | G | 70.2 | Confident | 87.4 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | trans | 76.6 | -178.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1239 | H | 66.6 | Low | 87.3 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 43% | 0.431 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -116.6 | 33.4 | -172 | 60.5 | 73.2 | 0 | 0 | 0 | 114.4 | A1212 F1274 | A1212-H1239 PolarHBondContact O-NE2 2.95Å; H1239-F1274 AromaticContact CE1-CE1 3.83Å; H1239-F1274 AromaticContact NE2-CE1 3.82Å |
| 1240 | G | 63.7 | Low | 87.2 | Confident | 79 Ų | 79 | 42.9 Ų | 42.9 | 81% | 0.814 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 95.1 | -0.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1241 | G | 83 | Confident | 87 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -122.6 | 171 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1242 | I | 92.4 | Very high | 86.5 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135 | 172.3 | -54.9 | -55.6 | 0 | 0 | 0 | 109 | V1151 P1153 Q1155 V1244 F1274 G1275 R1278 A1281 | V1151-I1242 HydrophobicContact CG1-CG2 3.68Å; P1153-I1242 HydrophobicContact CG-CD1 4.12Å; Q1155-I1242 VanDerWaalsContact CD-CD1 3.49Å; Q1155-I1242 HydrophobicContact CG-CD1 4.45Å; I1242-V1244 HydrophobicContact CG2-CG2 4.25Å; I1242-F1274 CarbonylContact O-C 3.52Å; I1242-F1274 WeakPolarHBondContact O-CA 3.33Å; I1242-G1275 PolarHBondContact N-O 2.9Å; I1242-G1275 PolarHBondContact O-N 3.17Å; I1242-R1278 HydrophobicContact CG2-CB 4.06Å; I1242-A1281 WeakPolarHBondContact O-CB 3.28Å |
| 1243 | C | 95.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.7 | 171.8 | -153.9 | 0 | 0 | 0 | 0 | 109.5 | T1152 F1208 A1212 C1273 F1274 | T1152-C1243 PolarHBondContact N-O 3.32Å; T1152-C1243 PolarHBondContact O-N 2.87Å; F1208-C1243 HydrophobicContact CE2-CB 3.88Å; F1208-C1243 HydrophobicContact CZ-CB 4.29Å; A1212-C1243 HydrophobicContact CB-CB 3.51Å; C1243-C1273 WeakPolarHBondContact CA-O 2.89Å; C1243-F1274 HydrophobicContact CB-CD1 3.84Å; C1243-F1274 HydrophobicContact CB-CE1 3.84Å; C1243-F1274 HydrophobicContact CB-CG 4.41Å; C1243-F1274 HydrophobicContact CB-CZ 4.37Å |
| 1244 | V | 97.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.8 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | T1149 L1150 V1151 I1242 V1246 A1272 C1273 R1278 A1281 Y1282 A1285 | T1149-V1244 HydrophobicContact CG2-CG1 3.78Å; L1150-V1244 CarbonylContact O-C 3.58Å; L1150-V1244 VanDerWaalsContact O-CA 3.3Å; L1150-V1244 WeakPolarHBondContact O-CA 3.31Å; V1151-V1244 HydrophobicContact CG1-CG2 4.26Å; V1151-V1244 HydrophobicContact CG2-CG2 4.14Å; I1242-V1244 HydrophobicContact CG2-CG2 4.25Å; V1244-V1246 HydrophobicContact CG1-CG2 4.33Å; V1244-A1272 VanDerWaalsContact O-CA 3.27Å; V1244-A1272 WeakPolarHBondContact O-CA 3.45Å; V1244-C1273 PolarHBondContact N-O 3.06Å; V1244-C1273 PolarHBondContact O-N 2.91Å; V1244-R1278 HydrophobicContact CG2-CB 4.44Å; V1244-A1281 HydrophobicContact CB-CB 3.96Å; V1244-A1281 HydrophobicContact CG2-CB 3.55Å; V1244-Y1282 HydrophobicContact CG1-CD2 3.97Å; V1244-A1285 WeakPolarHBondContact O-CB 3.44Å |
| 1245 | K | 96.7 | Very high | 84.8 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.4 | 172.7 | -168.1 | -151.5 | 102.9 | 159.8 | 0 | 109.6 | S1145 G1146 A1148 T1149 L1150 F1208 E1270 V1271 | S1145-K1245 PolarHBondContact O-NZ 2.77Å; G1146-K1245 PolarHBondContact O-NZ 2.81Å; A1148-K1245 VanDerWaalsContact O-CE 3.32Å; A1148-K1245 WeakPolarHBondContact O-CE 3.45Å; T1149-K1245 CarbonylContact C-O 3.26Å; T1149-K1245 VanDerWaalsContact CA-O 3.24Å; T1149-K1245 WeakPolarHBondContact CA-O 3.34Å; T1149-K1245 VanDerWaalsContact CG2-O 3.31Å; T1149-K1245 WeakPolarHBondContact CG2-O 3.45Å; L1150-K1245 HydrophobicContact CB-CB 4.05Å; L1150-K1245 HydrophobicContact CD1-CD 4.16Å; L1150-K1245 HydrophobicContact CG-CD 4.36Å; L1150-K1245 PolarHBondContact N-O 3.32Å; L1150-K1245 PolarHBondContact O-N 2.8Å; F1208-K1245 HydrophobicContact CD1-CB 4.35Å; F1208-K1245 HydrophobicContact CD2-CB 4.13Å; F1208-K1245 HydrophobicContact CE1-CB 4.09Å; F1208-K1245 HydrophobicContact CE2-CB 3.88Å; F1208-K1245 HydrophobicContact CG-CB 4.36Å; F1208-K1245 HydrophobicContact CZ-CB 3.87Å; K1245-E1270 HydrophobicContact CD-CB 4.24Å; K1245-E1270 HydrophobicContact CD-CG 4.47Å; K1245-E1270 VanDerWaalsContact CD-OE2 3.29Å; K1245-E1270 WeakPolarHBondContact CD-OE2 3.14Å; K1245-E1270 VanDerWaalsContact CE-OE2 3.26Å; K1245-E1270 WeakPolarHBondContact CE-OE2 3.37Å; K1245-E1270 HydrophobicContact CG-CB 4.16Å; K1245-E1270 IonicContact NZ-OE2 2.71Å; K1245-E1270 PolarHBondContact NZ-OE2 3.32Å; K1245-V1271 CarbonylContact C-O 3.6Å; K1245-V1271 VanDerWaalsContact CA-O 3.31Å; K1245-V1271 WeakPolarHBondContact CA-O 3.08Å |
| 1246 | V | 96.8 | Very high | 84.1 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.7 | 171.7 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | T1149 V1244 E1270 V1271 Y1282 A1285 L1286 T1289 | T1149-V1246 HydrophobicContact CG2-CG2 4.11Å; V1244-V1246 HydrophobicContact CG1-CG2 4.33Å; V1246-E1270 WeakPolarHBondContact O-CA 3.35Å; V1246-V1271 HydrophobicContact CB-CG2 4.1Å; V1246-V1271 PolarHBondContact N-O 2.88Å; V1246-V1271 PolarHBondContact O-N 3.34Å; V1246-Y1282 HydrophobicContact CG2-CD2 4.07Å; V1246-Y1282 HydrophobicContact CG2-CE2 4.19Å; V1246-A1285 HydrophobicContact CB-CB 4.15Å; V1246-A1285 HydrophobicContact CG2-CB 3.52Å; V1246-L1286 HydrophobicContact CG1-CD1 4.14Å; V1246-T1289 HydrophobicContact CB-CG2 4.3Å; V1246-T1289 HydrophobicContact CG1-CG2 3.79Å |
| 1247 | P | 94.2 | Very high | 83.9 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.7 | 177.2 | 32.2 | -41.6 | 0 | 0 | 0 | 112.7 | D1147 F1249 | D1147-P1247 WeakPolarHBondContact O-CG 3.49Å; P1247-F1249 HydrophobicContact CB-CE1 4.38Å; P1247-F1249 HydrophobicContact CB-CE2 3.85Å; P1247-F1249 HydrophobicContact CB-CZ 3.68Å; P1247-F1249 HydrophobicContact CG-CE2 3.48Å; P1247-F1249 VanDerWaalsContact CG-CE2 3.48Å; P1247-F1249 HydrophobicContact CG-CZ 3.53Å |
| 1248 | Q | 91.8 | Very high | 84.1 | Confident | 53 Ų | 53 | 32.1 Ų | 32.1 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.8 | 170.8 | -177.7 | 70.5 | 54.5 | 0 | 0 | 110 | S1267 T1268 G1269 T1289 | Q1248-S1267 WeakPolarHBondContact O-CA 3.39Å; Q1248-S1267 WeakPolarHBondContact O-CB 3.32Å; Q1248-T1268 PolarHBondContact O-N 3.03Å; Q1248-T1268 PolarHBondContact O-OG1 2.68Å; Q1248-G1269 PolarHBondContact N-O 3.21Å; Q1248-G1269 PolarHBondContact O-N 2.96Å; Q1248-T1289 VanDerWaalsContact OE1-CA 3.23Å; Q1248-T1289 VanDerWaalsContact OE1-CB 3.31Å; Q1248-T1289 PolarHBondContact OE1-O 2.91Å |
| 1249 | F | 90.9 | Very high | 84.8 | Confident | 46 Ų | 46 | 31 Ų | 31 | 20% | 0.202 | 19% | 0.19 | C | C | . | . | trans | -110.2 | 153.8 | 178.6 | -56.6 | -81.1 | 0 | 0 | 0 | 112.3 | D1147 P1247 F1251 L1261 | D1147-F1249 HydrophobicContact CB-CE1 4.18Å; D1147-F1249 HydrophobicContact CB-CZ 4.18Å; P1247-F1249 HydrophobicContact CB-CE1 4.38Å; P1247-F1249 HydrophobicContact CB-CE2 3.85Å; P1247-F1249 HydrophobicContact CB-CZ 3.68Å; P1247-F1249 HydrophobicContact CG-CE2 3.48Å; P1247-F1249 VanDerWaalsContact CG-CE2 3.48Å; P1247-F1249 HydrophobicContact CG-CZ 3.53Å; F1249-F1251 HydrophobicContact CB-CD2 3.49Å; F1249-F1251 VanDerWaalsContact CB-CD2 3.49Å; F1249-F1251 HydrophobicContact CB-CE2 3.6Å; F1249-F1251 HydrophobicContact CB-CG 4.21Å; F1249-F1251 HydrophobicContact CB-CZ 4.4Å; F1249-F1251 HydrophobicContact CD1-CD2 4.37Å; F1249-F1251 AromaticContact CD1-CE2 3.58Å; F1249-F1251 HydrophobicContact CD1-CE2 3.58Å; F1249-F1251 AromaticContact CD1-CZ 3.86Å; F1249-F1251 HydrophobicContact CD1-CZ 3.86Å; F1249-F1251 HydrophobicContact CD2-CE2 4.14Å; F1249-F1251 HydrophobicContact CE1-CE2 4.3Å; F1249-F1251 HydrophobicContact CE1-CZ 4.47Å; F1249-F1251 AromaticContact CG-CD2 3.92Å; F1249-F1251 HydrophobicContact CG-CD2 3.92Å; F1249-F1251 AromaticContact CG-CE2 3.5Å; F1249-F1251 HydrophobicContact CG-CE2 3.5Å; F1249-F1251 HydrophobicContact CG-CZ 4.24Å; F1249-L1261 HydrophobicContact CD1-CD2 4.33Å; F1249-L1261 HydrophobicContact CE1-CD2 3.45Å; F1249-L1261 VanDerWaalsContact CE1-CD2 3.45Å; F1249-L1261 HydrophobicContact CE2-CD2 4.22Å; F1249-L1261 HydrophobicContact CZ-CD1 4.03Å; F1249-L1261 HydrophobicContact CZ-CD2 3.39Å; F1249-L1261 HydrophobicContact CZ-CG 4.35Å | ||
| 1250 | S | 86.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 27.2 Ų | 27.2 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | trans | -106.2 | 22.1 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 113.3 | S1252 R1253 L1254 T1268 | S1250-S1252 PolarHBondContact O-N 3.31Å; S1250-R1253 PolarHBondContact O-N 3.47Å; S1250-L1254 PolarHBondContact O-N 3.04Å; S1250-T1268 PolarHBondContact OG-OG1 2.88Å | ||
| 1251 | F | 86.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 25.3 Ų | 25.3 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.4 | -176.6 | -67 | -51.9 | 0 | 0 | 0 | 114.2 | F722 F1249 R1253 L1254 A1257 K1258 V1259 L1261 R1404 I1407 | F722-F1251 HydrophobicContact CE1-CE1 4.01Å; F1249-F1251 HydrophobicContact CB-CD2 3.49Å; F1249-F1251 VanDerWaalsContact CB-CD2 3.49Å; F1249-F1251 HydrophobicContact CB-CE2 3.6Å; F1249-F1251 HydrophobicContact CB-CG 4.21Å; F1249-F1251 HydrophobicContact CB-CZ 4.4Å; F1249-F1251 HydrophobicContact CD1-CD2 4.37Å; F1249-F1251 AromaticContact CD1-CE2 3.58Å; F1249-F1251 HydrophobicContact CD1-CE2 3.58Å; F1249-F1251 AromaticContact CD1-CZ 3.86Å; F1249-F1251 HydrophobicContact CD1-CZ 3.86Å; F1249-F1251 HydrophobicContact CD2-CE2 4.14Å; F1249-F1251 HydrophobicContact CE1-CE2 4.3Å; F1249-F1251 HydrophobicContact CE1-CZ 4.47Å; F1249-F1251 AromaticContact CG-CD2 3.92Å; F1249-F1251 HydrophobicContact CG-CD2 3.92Å; F1249-F1251 AromaticContact CG-CE2 3.5Å; F1249-F1251 HydrophobicContact CG-CE2 3.5Å; F1249-F1251 HydrophobicContact CG-CZ 4.24Å; F1251-R1253 VanDerWaalsContact C-N 3.27Å; F1251-R1253 PolarHBondContact O-N 3.48Å; F1251-L1254 PolarHBondContact O-N 2.89Å; F1251-A1257 HydrophobicContact CD1-CB 4.23Å; F1251-K1258 WeakPolarHBondContact CE1-O 3.4Å; F1251-V1259 HydrophobicContact CB-CG1 4.5Å; F1251-V1259 HydrophobicContact CB-CG2 4.39Å; F1251-V1259 HydrophobicContact CD2-CG1 3.82Å; F1251-V1259 HydrophobicContact CE2-CG1 4.24Å; F1251-V1259 HydrophobicContact CG-CG1 4.18Å; F1251-V1259 HydrophobicContact CG-CG2 4.45Å; F1251-L1261 HydrophobicContact CE2-CD2 4.5Å; F1251-L1261 HydrophobicContact CZ-CD2 4.41Å; F1251-R1404 VanDerWaalsContact O-CZ 3.29Å; F1251-R1404 PolarHBondContact O-NH1 3.23Å; F1251-R1404 PolarHBondContact O-NH2 3.09Å; F1251-I1407 HydrophobicContact CB-CG2 4.27Å |
| 1252 | S | 79.2 | Confident | 86.9 | Confident | 44 Ų | 44 | 26.2 Ų | 26.2 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29.1 | 175.6 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | F538 S1250 | F538-S1252 WeakPolarHBondContact CE2-O 3.26Å; S1250-S1252 PolarHBondContact O-N 3.31Å |
| 1253 | R | 77.8 | Confident | 86.6 | Confident | 56 Ų | 56 | 26.5 Ų | 26.5 | 21% | 0.211 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -19.5 | 180 | -59.6 | 177.4 | 177.4 | -178.6 | -5.1 | 113.1 | L535 F538 M733 S1250 F1251 A1255 | L535-R1253 PolarHBondContact O-NH2 3.01Å; F538-R1253 HydrophobicContact CD2-CG 4.47Å; M733-R1253 WeakPolarHBondContact O-CD 3.2Å; S1250-R1253 PolarHBondContact O-N 3.47Å; F1251-R1253 VanDerWaalsContact C-N 3.27Å; F1251-R1253 PolarHBondContact O-N 3.48Å; R1253-A1255 PolarHBondContact O-N 3.39Å |
| 1254 | L | 82 | Confident | 86.1 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -99.8 | 75.7 | -176.7 | -58.1 | 176.5 | 0 | 0 | 0 | 110.4 | L719 F722 V725 K734 S1250 F1251 G1256 A1257 | L719-L1254 HydrophobicContact CD2-CD2 3.73Å; F722-L1254 HydrophobicContact CD1-CD1 4.13Å; F722-L1254 HydrophobicContact CD2-CD1 3.68Å; F722-L1254 HydrophobicContact CE1-CD1 3.98Å; F722-L1254 HydrophobicContact CE2-CD1 3.51Å; F722-L1254 HydrophobicContact CG-CD1 3.98Å; F722-L1254 HydrophobicContact CZ-CD1 3.66Å; V725-L1254 HydrophobicContact CG1-CB 4.38Å; V725-L1254 HydrophobicContact CG1-CD2 4.24Å; V725-L1254 HydrophobicContact CG2-CB 4.04Å; K734-L1254 HydrophobicContact CB-CD2 4.47Å; K734-L1254 HydrophobicContact CG-CD2 4.47Å; S1250-L1254 PolarHBondContact O-N 3.04Å; F1251-L1254 PolarHBondContact O-N 2.89Å; L1254-G1256 PolarHBondContact O-N 3.31Å; L1254-A1257 HydrophobicContact CB-CB 3.72Å; L1254-A1257 WeakPolarHBondContact O-CB 3.48Å; L1254-A1257 PolarHBondContact O-N 2.81Å |
| 1255 | A | 77.1 | Confident | 85.6 | Confident | 64 Ų | 64 | 28.6 Ų | 28.6 | 53% | 0.529 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 130.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V725 R1253 A1257 | V725-A1255 WeakPolarHBondContact CA-O 3.42Å; R1253-A1255 PolarHBondContact O-N 3.39Å; A1255-A1257 VanDerWaalsContact C-N 3.32Å |
| 1256 | G | 76.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -8.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1254 Y1400 | L1254-G1256 PolarHBondContact O-N 3.31Å; G1256-Y1400 PolarHBondContact O-OH 2.86Å; G1256-Y1400 VanDerWaalsContact O-OH 3.1Å |
| 1257 | A | 82.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -66.4 | 139.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F722 V725 F1251 L1254 A1255 V1259 R1404 | F722-A1257 HydrophobicContact CB-CB 4.3Å; F722-A1257 HydrophobicContact CD1-CB 4.11Å; F722-A1257 HydrophobicContact CG-CB 4.48Å; V725-A1257 HydrophobicContact CG2-CB 3.56Å; F1251-A1257 HydrophobicContact CD1-CB 4.23Å; L1254-A1257 HydrophobicContact CB-CB 3.72Å; L1254-A1257 WeakPolarHBondContact O-CB 3.48Å; L1254-A1257 PolarHBondContact O-N 2.81Å; A1255-A1257 VanDerWaalsContact C-N 3.32Å; A1257-V1259 PolarHBondContact O-N 2.88Å; A1257-R1404 PolarHBondContact O-NH1 3.07Å | ||
| 1258 | K | 78.7 | Confident | 84.5 | Confident | 98 Ų | 98 | 30.3 Ų | 30.3 | 43% | 0.426 | 18% | 0.177 | S | C | . | . | trans | -65.8 | 118.7 | 169 | -167.5 | -167.7 | -171.9 | -161.6 | 0 | 109.9 | F1251 T1260 F1395 | F1251-K1258 WeakPolarHBondContact CE1-O 3.4Å; K1258-T1260 VanDerWaalsContact C-N 3.3Å; K1258-T1260 VanDerWaalsContact CD-OG1 3.23Å; K1258-T1260 WeakPolarHBondContact CD-OG1 3.23Å; K1258-T1260 WeakPolarHBondContact CE-OG1 3.22Å; K1258-T1260 WeakPolarHBondContact CG-OG1 3.28Å; K1258-T1260 PolarHBondContact NZ-OG1 3.44Å; K1258-T1260 PolarHBondContact O-N 3.37Å; K1258-F1395 HydrophobicContact CB-CE1 4.49Å; K1258-F1395 HydrophobicContact CB-CZ 4.25Å | ||
| 1259 | V | 84.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | trans | -92 | 60 | 179.6 | -165.7 | 0 | 0 | 0 | 0 | 110.4 | F1251 A1257 R1403 I1407 L1413 | F1251-V1259 HydrophobicContact CB-CG1 4.5Å; F1251-V1259 HydrophobicContact CB-CG2 4.39Å; F1251-V1259 HydrophobicContact CD2-CG1 3.82Å; F1251-V1259 HydrophobicContact CE2-CG1 4.24Å; F1251-V1259 HydrophobicContact CG-CG1 4.18Å; F1251-V1259 HydrophobicContact CG-CG2 4.45Å; A1257-V1259 PolarHBondContact O-N 2.88Å; V1259-R1403 HydrophobicContact CB-CB 4.25Å; V1259-I1407 HydrophobicContact CG1-CD1 4.26Å; V1259-I1407 HydrophobicContact CG1-CG1 3.84Å; V1259-I1407 HydrophobicContact CG2-CG1 4.24Å; V1259-L1413 HydrophobicContact CG1-CD2 3.73Å | ||
| 1260 | T | 83.1 | Confident | 84.4 | Confident | 13 Ų | 13 | 26.5 Ų | 26.5 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | trans | -148.6 | 146.4 | 174.6 | 59.4 | 0 | 0 | 0 | 0 | 108.9 | K1258 P1383 | K1258-T1260 VanDerWaalsContact C-N 3.3Å; K1258-T1260 VanDerWaalsContact CD-OG1 3.23Å; K1258-T1260 WeakPolarHBondContact CD-OG1 3.23Å; K1258-T1260 WeakPolarHBondContact CE-OG1 3.22Å; K1258-T1260 WeakPolarHBondContact CG-OG1 3.28Å; K1258-T1260 PolarHBondContact NZ-OG1 3.44Å; K1258-T1260 PolarHBondContact O-N 3.37Å; T1260-P1383 HydrophobicContact CG2-CG 4.08Å | ||
| 1261 | L | 86.6 | Confident | 84.8 | Confident | 38 Ų | 38 | 25.4 Ų | 25.4 | 20% | 0.199 | 16% | 0.155 | C | C | . | . | trans | -85.7 | 165.1 | -178.2 | -50.1 | -178.6 | 0 | 0 | 0 | 112.4 | V1143 D1147 F1249 F1251 | V1143-L1261 HydrophobicContact CG1-CB 4.06Å; V1143-L1261 HydrophobicContact CG1-CD1 3.9Å; V1143-L1261 HydrophobicContact CG2-CB 4.07Å; D1147-L1261 HydrophobicContact CB-CD1 4.39Å; D1147-L1261 HydrophobicContact CB-CD2 4.42Å; F1249-L1261 HydrophobicContact CD1-CD2 4.33Å; F1249-L1261 HydrophobicContact CE1-CD2 3.45Å; F1249-L1261 VanDerWaalsContact CE1-CD2 3.45Å; F1249-L1261 HydrophobicContact CE2-CD2 4.22Å; F1249-L1261 HydrophobicContact CZ-CD1 4.03Å; F1249-L1261 HydrophobicContact CZ-CD2 3.39Å; F1249-L1261 HydrophobicContact CZ-CG 4.35Å; F1251-L1261 HydrophobicContact CE2-CD2 4.5Å; F1251-L1261 HydrophobicContact CZ-CD2 4.41Å | ||
| 1262 | G | 87.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 24.7 Ų | 24.7 | 27% | 0.268 | 15% | 0.152 | S | C | . | . | trans | -168.2 | -162 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1142 H1144 Q1264 | G1142-G1262 CarbonylContact O-C 3.58Å; G1142-G1262 WeakPolarHBondContact O-CA 3.01Å; H1144-G1262 PolarHBondContact N-O 3.24Å; G1262-Q1264 VanDerWaalsContact C-N 3.28Å; G1262-Q1264 PolarHBondContact O-N 3.38Å | ||
| 1263 | V | 86.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 22.6 Ų | 22.6 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -73.4 | -19.9 | -177.1 | -62.1 | 0 | 0 | 0 | 0 | 113.6 | L1069 M1081 V1083 F1111 G1142 H1144 | L1069-V1263 HydrophobicContact CD1-CB 4.32Å; L1069-V1263 HydrophobicContact CD1-CG1 4.01Å; L1069-V1263 HydrophobicContact CD1-CG2 4.06Å; M1081-V1263 HydrophobicContact CB-CG2 4.06Å; V1083-V1263 HydrophobicContact CG2-CG1 3.74Å; V1083-V1263 HydrophobicContact CG2-CG2 4.12Å; F1111-V1263 HydrophobicContact CE2-CG1 3.87Å; G1142-V1263 PolarHBondContact O-N 2.79Å; G1142-V1263 VanDerWaalsContact O-N 3.17Å; H1144-V1263 PolarHBondContact CD2-O 2.8Å |
| 1264 | Q | 84.4 | Confident | 86.9 | Confident | 45 Ų | 45 | 20 Ų | 20 | 21% | 0.21 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -93.1 | 128.9 | 171.7 | -171.9 | 176.1 | 28.6 | 0 | 0 | 109.2 | G1262 | G1262-Q1264 VanDerWaalsContact C-N 3.28Å; G1262-Q1264 PolarHBondContact O-N 3.38Å |
| 1265 | M | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -66.8 | 139.8 | -177.9 | -166.7 | -176.5 | 159 | 0 | 0 | 111.9 | I925 G926 S1077 H1144 D1147 R1204 S1267 | I925-M1265 HydrophobicContact CG2-CB 3.89Å; I925-M1265 HydrophobicContact CG2-CE 4.27Å; I925-M1265 HydrophobicContact CG2-CG 3.8Å; I925-M1265 VanDerWaalsContact CG2-O 3.26Å; I925-M1265 WeakPolarHBondContact CG2-O 3.4Å; I925-M1265 HydrophobicContact CG2-SD 4.09Å; G926-M1265 WeakPolarHBondContact CA-SD 3.42Å; G926-M1265 PolarHBondContact N-SD 3.18Å; S1077-M1265 PolarHBondContact O-N 2.75Å; H1144-M1265 HydrophobicContact CB-CB 4.26Å; D1147-M1265 WeakPolarHBondContact OD1-CG 3.29Å; R1204-M1265 VanDerWaalsContact CZ-CE 3.43Å; M1265-S1267 VanDerWaalsContact CE-O 3.3Å; M1265-S1267 WeakPolarHBondContact CE-O 3.5Å; M1265-S1267 WeakPolarHBondContact CE-OG 3.39Å | ||
| 1266 | S | 89.1 | Confident | 87.9 | Confident | 18 Ų | 18 | 22.8 Ų | 22.8 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | trans | -126.2 | -18.4 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 114 | D1147 | D1147-S1266 PolarHBondContact OD1-N 2.89Å; D1147-S1266 VanDerWaalsContact OD1-N 3.14Å; D1147-S1266 PolarHBondContact OD2-N 3.28Å | ||
| 1267 | S | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -70.3 | 147.7 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | I925 G1146 D1147 Q1248 M1265 | I925-S1267 WeakPolarHBondContact CG2-O 3.3Å; G1146-S1267 PolarHBondContact O-OG 3.15Å; D1147-S1267 WeakPolarHBondContact OD1-CB 3.49Å; D1147-S1267 PolarHBondContact OD1-N 3.32Å; D1147-S1267 PolarHBondContact OD1-OG 2.87Å; Q1248-S1267 WeakPolarHBondContact O-CA 3.39Å; Q1248-S1267 WeakPolarHBondContact O-CB 3.32Å; M1265-S1267 VanDerWaalsContact CE-O 3.3Å; M1265-S1267 WeakPolarHBondContact CE-O 3.5Å; M1265-S1267 WeakPolarHBondContact CE-OG 3.39Å | ||
| 1268 | T | 86.7 | Confident | 89 | Confident | 37 Ų | 37 | 25.1 Ų | 25.1 | 23% | 0.227 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -107.1 | -12.5 | 179.9 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | I736 I925 Q1248 S1250 | I736-T1268 HydrophobicContact CG2-CG2 3.8Å; I925-T1268 HydrophobicContact CD1-CG2 4.37Å; I925-T1268 HydrophobicContact CG1-CG2 4.08Å; Q1248-T1268 PolarHBondContact O-N 3.03Å; Q1248-T1268 PolarHBondContact O-OG1 2.68Å; S1250-T1268 PolarHBondContact OG-OG1 2.88Å |
| 1269 | G | 88.6 | Confident | 89.7 | Confident | 13 Ų | 13 | 22.5 Ų | 22.5 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -164.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1248 | Q1248-G1269 PolarHBondContact N-O 3.21Å; Q1248-G1269 PolarHBondContact O-N 2.96Å |
| 1270 | E | 92 | Very high | 90 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 163.1 | -176.3 | 54.1 | -171.2 | -139.9 | 0 | 0 | 111.6 | K1245 V1246 | K1245-E1270 HydrophobicContact CD-CB 4.24Å; K1245-E1270 HydrophobicContact CD-CG 4.47Å; K1245-E1270 VanDerWaalsContact CD-OE2 3.29Å; K1245-E1270 WeakPolarHBondContact CD-OE2 3.14Å; K1245-E1270 VanDerWaalsContact CE-OE2 3.26Å; K1245-E1270 WeakPolarHBondContact CE-OE2 3.37Å; K1245-E1270 HydrophobicContact CG-CB 4.16Å; K1245-E1270 IonicContact NZ-OE2 2.71Å; K1245-E1270 PolarHBondContact NZ-OE2 3.32Å; V1246-E1270 WeakPolarHBondContact O-CA 3.35Å |
| 1271 | V | 94.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.4 | 171.9 | -62.9 | 0 | 0 | 0 | 0 | 108.9 | P410 K1245 V1246 A1285 A1288 T1289 | P410-V1271 HydrophobicContact CB-CB 4.18Å; P410-V1271 HydrophobicContact CB-CG1 4.33Å; P410-V1271 HydrophobicContact CG-CG1 4.28Å; P410-V1271 CarbonylContact O-C 3.6Å; P410-V1271 VanDerWaalsContact O-CA 3.25Å; P410-V1271 WeakPolarHBondContact O-CA 3.37Å; K1245-V1271 CarbonylContact C-O 3.6Å; K1245-V1271 VanDerWaalsContact CA-O 3.31Å; K1245-V1271 WeakPolarHBondContact CA-O 3.08Å; V1246-V1271 HydrophobicContact CB-CG2 4.1Å; V1246-V1271 PolarHBondContact N-O 2.88Å; V1246-V1271 PolarHBondContact O-N 3.34Å; V1271-A1285 HydrophobicContact CG2-CB 4.48Å; V1271-A1285 WeakPolarHBondContact CG2-O 3.21Å; V1271-A1288 HydrophobicContact CB-CB 4.07Å; V1271-A1288 HydrophobicContact CG1-CB 4.22Å; V1271-A1288 HydrophobicContact CG2-CB 3.98Å; V1271-T1289 HydrophobicContact CG2-CG2 3.43Å; V1271-T1289 VanDerWaalsContact CG2-CG2 3.43Å |
| 1272 | A | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P410 V412 F427 F1208 V1244 | P410-A1272 PolarHBondContact O-N 3.38Å; V412-A1272 HydrophobicContact CB-CB 3.77Å; V412-A1272 HydrophobicContact CG1-CB 3.85Å; V412-A1272 HydrophobicContact CG2-CB 4.11Å; F427-A1272 WeakPolarHBondContact CB-O 3.43Å; F1208-A1272 HydrophobicContact CD2-CB 3.72Å; F1208-A1272 HydrophobicContact CE2-CB 3.8Å; V1244-A1272 VanDerWaalsContact O-CA 3.27Å; V1244-A1272 WeakPolarHBondContact O-CA 3.45Å |
| 1273 | C | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148.2 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 110 | F427 C1243 V1244 K1284 A1285 | F427-C1273 WeakPolarHBondContact O-CA 3.34Å; F427-C1273 WeakPolarHBondContact O-CB 2.85Å; F427-C1273 PolarHBondContact O-SG 3.38Å; C1243-C1273 WeakPolarHBondContact CA-O 2.89Å; V1244-C1273 PolarHBondContact N-O 3.06Å; V1244-C1273 PolarHBondContact O-N 2.91Å; C1273-K1284 HydrophobicContact CB-CB 3.5Å; C1273-K1284 VanDerWaalsContact CB-CB 3.5Å; C1273-K1284 VanDerWaalsContact SG-C 3.6Å; C1273-A1285 HydrophobicContact CB-CB 4.06Å; C1273-A1285 VanDerWaalsContact SG-CA 3.6Å |
| 1274 | F | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 161 | 173.4 | -65.5 | -96.4 | 0 | 0 | 0 | 111.4 | F427 H1239 I1242 C1243 K1284 I1442 D1443 I1445 | F427-F1274 HydrophobicContact CB-CD2 3.88Å; F427-F1274 HydrophobicContact CB-CE2 4.1Å; F427-F1274 HydrophobicContact CD2-CD2 4.01Å; F427-F1274 AromaticContact CD2-CE2 3.52Å; F427-F1274 HydrophobicContact CD2-CE2 3.52Å; F427-F1274 HydrophobicContact CE2-CE2 4.13Å; F427-F1274 HydrophobicContact CG-CD2 4.14Å; F427-F1274 AromaticContact CG-CE2 3.84Å; F427-F1274 HydrophobicContact CG-CE2 3.84Å; H1239-F1274 AromaticContact CE1-CE1 3.83Å; H1239-F1274 AromaticContact NE2-CE1 3.82Å; I1242-F1274 CarbonylContact O-C 3.52Å; I1242-F1274 WeakPolarHBondContact O-CA 3.33Å; C1243-F1274 HydrophobicContact CB-CD1 3.84Å; C1243-F1274 HydrophobicContact CB-CE1 3.84Å; C1243-F1274 HydrophobicContact CB-CG 4.41Å; C1243-F1274 HydrophobicContact CB-CZ 4.37Å; F1274-K1284 WeakPolarHBondContact O-CD 3.2Å; F1274-I1442 HydrophobicContact CB-CG2 3.86Å; F1274-I1442 WeakPolarHBondContact CB-O 3.06Å; F1274-I1442 WeakPolarHBondContact CG-O 3.34Å; F1274-D1443 VanDerWaalsContact O-OD1 3.1Å; F1274-I1445 HydrophobicContact CZ-CD1 4.47Å |
| 1275 | G | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 163.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1242 D1277 | I1242-G1275 PolarHBondContact N-O 2.9Å; I1242-G1275 PolarHBondContact O-N 3.17Å; G1275-D1277 PolarHBondContact O-N 3.48Å |
| 1276 | K | 88.1 | Confident | 92.6 | Very high | 133 Ų | 133 | 17.4 Ų | 17.4 | 58% | 0.578 | 9% | 0.086 | S | C | * | . | S | Bend | trans | -63.5 | -26 | 175.9 | 72 | -165.5 | 176.7 | -160 | 0 | 113.1 | E1280 I1442 | K1276-E1280 WeakPolarHBondContact CD-OE2 3.3Å; K1276-E1280 WeakPolarHBondContact CE-OE2 3.26Å; K1276-E1280 VanDerWaalsContact CG-OE2 3.29Å; K1276-E1280 WeakPolarHBondContact CG-OE2 3.44Å; K1276-E1280 IonicContact NZ-OE2 2.69Å; K1276-E1280 PolarHBondContact NZ-OE2 2.71Å; K1276-I1442 HydrophobicContact CB-CD1 4.11Å |
| 1277 | D | 89.8 | Confident | 92.9 | Very high | 25 Ų | 25 | 17.4 Ų | 17.4 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -144.3 | 168.5 | 175.1 | 65 | 37.5 | 0 | 0 | 0 | 109.7 | G1275 F1279 E1280 A1281 R1429 | G1275-D1277 PolarHBondContact O-N 3.48Å; D1277-F1279 HydrophobicContact CB-CD2 4.46Å; D1277-F1279 PolarHBondContact O-N 3.4Å; D1277-F1279 WeakPolarHBondContact OD1-CB 3.39Å; D1277-F1279 PolarHBondContact OD1-N 3.38Å; D1277-E1280 PolarHBondContact O-N 3.35Å; D1277-E1280 PolarHBondContact OD1-N 2.99Å; D1277-A1281 PolarHBondContact O-N 3.32Å; D1277-A1281 VanDerWaalsContact O-N 3.16Å; D1277-R1429 IonicContact OD2-NE 3.77Å; D1277-R1429 PolarHBondContact OD2-NE 3.08Å; D1277-R1429 IonicContact OD2-NH2 2.79Å |
| 1278 | R | 92.2 | Very high | 93 | Very high | 46 Ų | 46 | 18 Ų | 18 | 17% | 0.174 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -24.5 | -178.7 | 70.9 | 176.8 | 178.4 | -171.4 | -5.7 | 113.9 | E1136 V1151 D1156 I1242 V1244 Y1282 | E1136-R1278 IonicContact OE1-NH1 3.68Å; V1151-R1278 HydrophobicContact CG1-CB 3.94Å; D1156-R1278 VanDerWaalsContact CG-NH1 3.26Å; D1156-R1278 IonicContact OD1-CZ 3.72Å; D1156-R1278 IonicContact OD1-NH1 2.9Å; D1156-R1278 IonicContact OD1-NH2 2.78Å; D1156-R1278 IonicContact OD2-CZ 3.4Å; D1156-R1278 IonicContact OD2-NH1 3.33Å; D1156-R1278 PolarHBondContact OD2-NH1 2.86Å; D1156-R1278 IonicContact OD2-NH2 3.84Å; D1156-R1278 PolarHBondContact OD2-NH2 3.33Å; I1242-R1278 HydrophobicContact CG2-CB 4.06Å; V1244-R1278 HydrophobicContact CG2-CB 4.44Å; R1278-Y1282 WeakPolarHBondContact O-CB 3.41Å; R1278-Y1282 PolarHBondContact O-N 2.81Å |
| 1279 | F | 93.2 | Very high | 93.2 | Very high | 43 Ų | 43 | 17.8 Ų | 17.8 | 19% | 0.189 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -75.8 | -44.6 | -176.3 | -54.3 | -70.5 | 0 | 0 | 0 | 110.5 | D1277 L1283 L1422 Q1425 A1426 | D1277-F1279 HydrophobicContact CB-CD2 4.46Å; D1277-F1279 PolarHBondContact O-N 3.4Å; D1277-F1279 WeakPolarHBondContact OD1-CB 3.39Å; D1277-F1279 PolarHBondContact OD1-N 3.38Å; F1279-L1283 WeakPolarHBondContact O-CB 3.29Å; F1279-L1283 PolarHBondContact O-N 3.27Å; F1279-L1422 HydrophobicContact CD1-CD1 3.64Å; F1279-L1422 HydrophobicContact CE1-CD1 3.77Å; F1279-Q1425 HydrophobicContact CD1-CB 4.03Å; F1279-Q1425 HydrophobicContact CE1-CB 3.83Å; F1279-A1426 HydrophobicContact CB-CB 4.03Å |
| 1280 | E | 92.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 20.2 Ų | 20.2 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 174.6 | -174.7 | 174.5 | 146.6 | 0 | 0 | 111.4 | K1276 D1277 L1283 K1284 P1436 | K1276-E1280 WeakPolarHBondContact CD-OE2 3.3Å; K1276-E1280 WeakPolarHBondContact CE-OE2 3.26Å; K1276-E1280 VanDerWaalsContact CG-OE2 3.29Å; K1276-E1280 WeakPolarHBondContact CG-OE2 3.44Å; K1276-E1280 IonicContact NZ-OE2 2.69Å; K1276-E1280 PolarHBondContact NZ-OE2 2.71Å; D1277-E1280 PolarHBondContact O-N 3.35Å; D1277-E1280 PolarHBondContact OD1-N 2.99Å; E1280-L1283 PolarHBondContact O-N 3.39Å; E1280-K1284 HydrophobicContact CG-CD 4.26Å; E1280-K1284 WeakPolarHBondContact O-CG 3.31Å; E1280-K1284 PolarHBondContact O-N 3.18Å; E1280-K1284 WeakPolarHBondContact OE1-CE 3.48Å; E1280-K1284 IonicContact OE1-NZ 3.89Å; E1280-K1284 PolarHBondContact OE1-NZ 3.17Å; E1280-P1436 HydrophobicContact CG-CB 3.69Å; E1280-P1436 HydrophobicContact CG-CG 3.9Å |
| 1281 | A | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1242 V1244 D1277 L1283 K1284 A1285 | I1242-A1281 WeakPolarHBondContact O-CB 3.28Å; V1244-A1281 HydrophobicContact CB-CB 3.96Å; V1244-A1281 HydrophobicContact CG2-CB 3.55Å; D1277-A1281 PolarHBondContact O-N 3.32Å; D1277-A1281 VanDerWaalsContact O-N 3.16Å; A1281-L1283 PolarHBondContact O-N 3.05Å; A1281-K1284 PolarHBondContact O-N 3.18Å; A1281-A1285 WeakPolarHBondContact O-CB 3.01Å; A1281-A1285 PolarHBondContact O-N 3.14Å |
| 1282 | Y | 95.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.2 | 175.8 | -110.7 | 0 | 0 | 0 | 112.1 | T1149 V1244 V1246 R1278 A1285 L1286 C1419 L1422 L1423 A1426 | T1149-Y1282 HydrophobicContact CG2-CD2 3.82Å; T1149-Y1282 HydrophobicContact CG2-CE2 3.81Å; V1244-Y1282 HydrophobicContact CG1-CD2 3.97Å; V1246-Y1282 HydrophobicContact CG2-CD2 4.07Å; V1246-Y1282 HydrophobicContact CG2-CE2 4.19Å; R1278-Y1282 WeakPolarHBondContact O-CB 3.41Å; R1278-Y1282 PolarHBondContact O-N 2.81Å; Y1282-A1285 PolarHBondContact O-N 3.45Å; Y1282-L1286 HydrophobicContact CE1-CD2 4.25Å; Y1282-L1286 VanDerWaalsContact O-CB 3.29Å; Y1282-L1286 WeakPolarHBondContact O-CB 3.26Å; Y1282-L1286 PolarHBondContact O-N 3.33Å; Y1282-C1419 PolarHBondContact OH-O 3.14Å; Y1282-L1422 HydrophobicContact CD1-CB 4.47Å; Y1282-L1422 HydrophobicContact CD1-CD2 3.76Å; Y1282-L1422 HydrophobicContact CD1-CG 3.63Å; Y1282-L1422 HydrophobicContact CD2-CD2 3.69Å; Y1282-L1422 HydrophobicContact CD2-CG 4.47Å; Y1282-L1422 HydrophobicContact CE1-CB 4.23Å; Y1282-L1422 HydrophobicContact CE1-CD2 4.03Å; Y1282-L1422 HydrophobicContact CE1-CG 3.87Å; Y1282-L1422 HydrophobicContact CE2-CD2 3.97Å; Y1282-L1422 HydrophobicContact CG-CD2 3.56Å; Y1282-L1422 HydrophobicContact CG-CG 3.94Å; Y1282-L1423 HydrophobicContact CE1-CB 4.07Å; Y1282-A1426 HydrophobicContact CD1-CB 4.42Å |
| 1283 | L | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | -179.7 | -171.7 | 60.9 | 0 | 0 | 0 | 111.7 | F1279 E1280 A1281 L1286 I1287 I1293 L1423 A1426 L1427 V1430 P1436 | F1279-L1283 WeakPolarHBondContact O-CB 3.29Å; F1279-L1283 PolarHBondContact O-N 3.27Å; E1280-L1283 PolarHBondContact O-N 3.39Å; A1281-L1283 PolarHBondContact O-N 3.05Å; L1283-L1286 PolarHBondContact O-N 3.14Å; L1283-I1287 HydrophobicContact CG-CD1 4.12Å; L1283-I1287 WeakPolarHBondContact O-CD1 3.45Å; L1283-I1287 WeakPolarHBondContact O-CG1 3.11Å; L1283-I1287 PolarHBondContact O-N 2.83Å; L1283-I1293 HydrophobicContact CD1-CD1 4.24Å; L1283-I1293 HydrophobicContact CD1-CG1 4.23Å; L1283-I1293 HydrophobicContact CD2-CD1 4.11Å; L1283-I1293 HydrophobicContact CG-CD1 4.38Å; L1283-L1423 HydrophobicContact CD1-CD1 4.39Å; L1283-A1426 HydrophobicContact CB-CB 4.33Å; L1283-L1427 HydrophobicContact CD1-CD2 4.44Å; L1283-V1430 HydrophobicContact CD2-CB 4.35Å; L1283-V1430 HydrophobicContact CD2-CG1 3.91Å; L1283-V1430 HydrophobicContact CD2-CG2 3.58Å; L1283-P1436 HydrophobicContact CD2-CG 4.1Å |
| 1284 | K | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 172.5 | -74.6 | 171 | 176.7 | 176.6 | 0 | 110.9 | L428 P429 Y434 C1273 F1274 E1280 A1281 L1286 I1287 A1288 P1436 D1443 | L428-K1284 HydrophobicContact CD2-CD 4.05Å; P429-K1284 VanDerWaalsContact CG-O 3.27Å; P429-K1284 WeakPolarHBondContact CG-O 3.02Å; Y434-K1284 HydrophobicContact CE1-CG 4.44Å; C1273-K1284 HydrophobicContact CB-CB 3.5Å; C1273-K1284 VanDerWaalsContact CB-CB 3.5Å; C1273-K1284 VanDerWaalsContact SG-C 3.6Å; F1274-K1284 WeakPolarHBondContact O-CD 3.2Å; E1280-K1284 HydrophobicContact CG-CD 4.26Å; E1280-K1284 WeakPolarHBondContact O-CG 3.31Å; E1280-K1284 PolarHBondContact O-N 3.18Å; E1280-K1284 WeakPolarHBondContact OE1-CE 3.48Å; E1280-K1284 IonicContact OE1-NZ 3.89Å; E1280-K1284 PolarHBondContact OE1-NZ 3.17Å; A1281-K1284 PolarHBondContact O-N 3.18Å; K1284-L1286 PolarHBondContact O-N 2.94Å; K1284-I1287 PolarHBondContact O-N 3.33Å; K1284-A1288 PolarHBondContact O-N 3.46Å; K1284-P1436 HydrophobicContact CD-CB 4.46Å; K1284-P1436 HydrophobicContact CG-CB 4.21Å; K1284-P1436 HydrophobicContact CG-CG 4.18Å; K1284-D1443 IonicContact NZ-OD1 3.26Å; K1284-D1443 PolarHBondContact NZ-OD1 3.34Å; K1284-D1443 IonicContact NZ-OD2 2.65Å; K1284-D1443 PolarHBondContact NZ-OD2 3.38Å |
| 1285 | A | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1244 V1246 V1271 C1273 A1281 Y1282 A1288 T1289 | V1244-A1285 WeakPolarHBondContact O-CB 3.44Å; V1246-A1285 HydrophobicContact CB-CB 4.15Å; V1246-A1285 HydrophobicContact CG2-CB 3.52Å; V1271-A1285 HydrophobicContact CG2-CB 4.48Å; V1271-A1285 WeakPolarHBondContact CG2-O 3.21Å; C1273-A1285 HydrophobicContact CB-CB 4.06Å; C1273-A1285 VanDerWaalsContact SG-CA 3.6Å; A1281-A1285 WeakPolarHBondContact O-CB 3.01Å; A1281-A1285 PolarHBondContact O-N 3.14Å; Y1282-A1285 PolarHBondContact O-N 3.45Å; A1285-A1288 WeakPolarHBondContact O-CB 3.35Å; A1285-A1288 PolarHBondContact O-N 3.2Å; A1285-A1288 VanDerWaalsContact O-N 3.15Å; A1285-T1289 PolarHBondContact O-N 3.09Å |
| 1286 | L | 94.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.7 | -165.1 | 67 | 0 | 0 | 0 | 111.3 | V1246 Y1282 L1283 K1284 A1288 T1289 F1291 L1423 | V1246-L1286 HydrophobicContact CG1-CD1 4.14Å; Y1282-L1286 HydrophobicContact CE1-CD2 4.25Å; Y1282-L1286 VanDerWaalsContact O-CB 3.29Å; Y1282-L1286 WeakPolarHBondContact O-CB 3.26Å; Y1282-L1286 PolarHBondContact O-N 3.33Å; L1283-L1286 PolarHBondContact O-N 3.14Å; K1284-L1286 PolarHBondContact O-N 2.94Å; L1286-A1288 PolarHBondContact O-N 3Å; L1286-T1289 PolarHBondContact O-N 3.43Å; L1286-T1289 VanDerWaalsContact O-N 3.12Å; L1286-T1289 PolarHBondContact O-OG1 3.07Å; L1286-F1291 HydrophobicContact CB-CB 4.47Å; L1286-F1291 HydrophobicContact CD1-CB 4.42Å; L1286-F1291 HydrophobicContact CD1-CD2 4.24Å; L1286-F1291 HydrophobicContact CD1-CG 4.42Å; L1286-F1291 HydrophobicContact CD2-CB 4.37Å; L1286-F1291 HydrophobicContact CD2-CD1 3.76Å; L1286-F1291 HydrophobicContact CD2-CD2 3.7Å; L1286-F1291 HydrophobicContact CD2-CE1 3.87Å; L1286-F1291 HydrophobicContact CD2-CE2 3.8Å; L1286-F1291 HydrophobicContact CD2-CG 3.7Å; L1286-F1291 HydrophobicContact CD2-CZ 3.91Å; L1286-F1291 HydrophobicContact CG-CB 3.69Å; L1286-F1291 HydrophobicContact CG-CD1 3.99Å; L1286-F1291 HydrophobicContact CG-CD2 3.78Å; L1286-F1291 HydrophobicContact CG-CE2 4.4Å; L1286-F1291 HydrophobicContact CG-CG 3.57Å; L1286-F1291 WeakPolarHBondContact O-CB 3.45Å; L1286-F1291 PolarHBondContact O-N 2.91Å; L1286-L1423 HydrophobicContact CD2-CD1 3.77Å |
| 1287 | I | 94 | Very high | 92 | Very high | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -35.8 | 173.9 | -64.1 | 161 | 0 | 0 | 0 | 110.9 | P429 N431 Y434 L1283 K1284 T1289 G1290 I1293 P1435 | P429-I1287 HydrophobicContact CB-CB 4.45Å; P429-I1287 HydrophobicContact CB-CG2 3.84Å; P429-I1287 HydrophobicContact CG-CB 3.9Å; P429-I1287 HydrophobicContact CG-CG2 3.76Å; N431-I1287 WeakPolarHBondContact ND2-CG2 3.28Å; Y434-I1287 HydrophobicContact CE2-CD1 4.28Å; Y434-I1287 HydrophobicContact CE2-CG2 4.3Å; L1283-I1287 HydrophobicContact CG-CD1 4.12Å; L1283-I1287 WeakPolarHBondContact O-CD1 3.45Å; L1283-I1287 WeakPolarHBondContact O-CG1 3.11Å; L1283-I1287 PolarHBondContact O-N 2.83Å; K1284-I1287 PolarHBondContact O-N 3.33Å; I1287-T1289 PolarHBondContact O-N 3.07Å; I1287-G1290 PolarHBondContact O-N 2.94Å; I1287-I1293 HydrophobicContact CD1-CD1 4.01Å; I1287-I1293 HydrophobicContact CD1-CG1 4.35Å; I1287-I1293 HydrophobicContact CG1-CG1 4.45Å; I1287-P1435 HydrophobicContact CD1-CB 4.11Å |
| 1288 | A | 93.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -21.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P410 P429 V1271 K1284 A1285 L1286 G1290 | P410-A1288 HydrophobicContact CB-CB 3.81Å; P410-A1288 HydrophobicContact CG-CB 3.91Å; P429-A1288 HydrophobicContact CB-CB 4.16Å; P429-A1288 HydrophobicContact CG-CB 3.97Å; V1271-A1288 HydrophobicContact CB-CB 4.07Å; V1271-A1288 HydrophobicContact CG1-CB 4.22Å; V1271-A1288 HydrophobicContact CG2-CB 3.98Å; K1284-A1288 PolarHBondContact O-N 3.46Å; A1285-A1288 WeakPolarHBondContact O-CB 3.35Å; A1285-A1288 PolarHBondContact O-N 3.2Å; A1285-A1288 VanDerWaalsContact O-N 3.15Å; L1286-A1288 PolarHBondContact O-N 3Å; A1288-G1290 VanDerWaalsContact C-N 3.27Å |
| 1289 | T | 91.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.5 | 172.5 | 70.6 | 0 | 0 | 0 | 0 | 113.9 | V1246 Q1248 V1271 A1285 L1286 I1287 | V1246-T1289 HydrophobicContact CB-CG2 4.3Å; V1246-T1289 HydrophobicContact CG1-CG2 3.79Å; Q1248-T1289 VanDerWaalsContact OE1-CA 3.23Å; Q1248-T1289 VanDerWaalsContact OE1-CB 3.31Å; Q1248-T1289 PolarHBondContact OE1-O 2.91Å; V1271-T1289 HydrophobicContact CG2-CG2 3.43Å; V1271-T1289 VanDerWaalsContact CG2-CG2 3.43Å; A1285-T1289 PolarHBondContact O-N 3.09Å; L1286-T1289 PolarHBondContact O-N 3.43Å; L1286-T1289 VanDerWaalsContact O-N 3.12Å; L1286-T1289 PolarHBondContact O-OG1 3.07Å; I1287-T1289 PolarHBondContact O-N 3.07Å |
| 1290 | G | 86.5 | Confident | 92.6 | Very high | 63 Ų | 63 | 31.6 Ų | 31.6 | 65% | 0.649 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 13.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1287 A1288 | I1287-G1290 PolarHBondContact O-N 2.94Å; A1288-G1290 VanDerWaalsContact C-N 3.27Å |
| 1291 | F | 90.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 8% | 0.075 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 127.9 | 174.6 | -175 | -86.3 | 0 | 0 | 0 | 111.2 | L1286 L1378 P1412 V1414 L1423 | L1286-F1291 HydrophobicContact CB-CB 4.47Å; L1286-F1291 HydrophobicContact CD1-CB 4.42Å; L1286-F1291 HydrophobicContact CD1-CD2 4.24Å; L1286-F1291 HydrophobicContact CD1-CG 4.42Å; L1286-F1291 HydrophobicContact CD2-CB 4.37Å; L1286-F1291 HydrophobicContact CD2-CD1 3.76Å; L1286-F1291 HydrophobicContact CD2-CD2 3.7Å; L1286-F1291 HydrophobicContact CD2-CE1 3.87Å; L1286-F1291 HydrophobicContact CD2-CE2 3.8Å; L1286-F1291 HydrophobicContact CD2-CG 3.7Å; L1286-F1291 HydrophobicContact CD2-CZ 3.91Å; L1286-F1291 HydrophobicContact CG-CB 3.69Å; L1286-F1291 HydrophobicContact CG-CD1 3.99Å; L1286-F1291 HydrophobicContact CG-CD2 3.78Å; L1286-F1291 HydrophobicContact CG-CE2 4.4Å; L1286-F1291 HydrophobicContact CG-CG 3.57Å; L1286-F1291 WeakPolarHBondContact O-CB 3.45Å; L1286-F1291 PolarHBondContact O-N 2.91Å; F1291-L1378 HydrophobicContact CE2-CD1 3.83Å; F1291-L1378 HydrophobicContact CZ-CD1 3.86Å; F1291-P1412 HydrophobicContact CD2-CB 3.78Å; F1291-P1412 HydrophobicContact CE2-CB 3.61Å; F1291-P1412 HydrophobicContact CG-CB 4.48Å; F1291-P1412 HydrophobicContact CZ-CB 4.19Å; F1291-V1414 HydrophobicContact CE2-CG2 4.43Å; F1291-L1423 HydrophobicContact CE1-CD1 4.11Å; F1291-L1423 HydrophobicContact CE2-CD2 4.24Å; F1291-L1423 HydrophobicContact CZ-CD1 3.98Å; F1291-L1423 HydrophobicContact CZ-CD2 3.72Å |
| 1292 | E | 88.5 | Confident | 92.6 | Very high | 148 Ų | 148 | 31.5 Ų | 31.5 | 69% | 0.692 | 16% | 0.163 | S | C | * | . | P | Polyproline II helix | trans | -95.5 | 131.4 | 171.7 | -66.8 | -166.2 | 165.9 | 0 | 0 | 111.1 | P1412 | E1292-P1412 HydrophobicContact CB-CG 4.31Š|
| 1293 | I | 89.1 | Confident | 92 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 123.8 | 174.6 | -64.2 | 177.8 | 0 | 0 | 0 | 108.8 | L1283 I1287 L1427 | L1283-I1293 HydrophobicContact CD1-CD1 4.24Å; L1283-I1293 HydrophobicContact CD1-CG1 4.23Å; L1283-I1293 HydrophobicContact CD2-CD1 4.11Å; L1283-I1293 HydrophobicContact CG-CD1 4.38Å; I1287-I1293 HydrophobicContact CD1-CD1 4.01Å; I1287-I1293 HydrophobicContact CD1-CG1 4.35Å; I1287-I1293 HydrophobicContact CG1-CG1 4.45Å; I1293-L1427 HydrophobicContact CG2-CD2 3.74Å |
| 1294 | P | 90.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 141.3 | 176.4 | 28.5 | -35.6 | 0 | 0 | 0 | 110 | I1298 Y1323 E1377 L1378 L1427 | P1294-I1298 HydrophobicContact CB-CG1 4.24Å; P1294-I1298 HydrophobicContact CG-CD1 4.22Å; P1294-I1298 HydrophobicContact CG-CG1 4.37Å; P1294-Y1323 HydrophobicContact CB-CE1 4.13Å; P1294-Y1323 HydrophobicContact CG-CE1 4.15Å; P1294-Y1323 VanDerWaalsContact O-CE1 3.26Å; P1294-Y1323 WeakPolarHBondContact O-CE1 3.47Å; P1294-Y1323 PolarHBondContact O-OH 3.26Å; P1294-E1377 HydrophobicContact CB-CB 4.03Å; P1294-L1378 HydrophobicContact CB-CB 3.89Å; P1294-L1378 HydrophobicContact CG-CB 3.95Å; P1294-L1378 HydrophobicContact CG-CD2 3.92Å; P1294-L1427 HydrophobicContact CG-CD1 4.4Å |
| 1295 | K | 86.7 | Confident | 91.1 | Very high | 152 Ų | 152 | 40.6 Ų | 40.6 | 66% | 0.661 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -100.6 | -35.8 | -179.7 | -62.7 | 179.1 | -175.6 | 172 | 0 | 112 | E1377 | K1295-E1377 WeakPolarHBondContact CA-OE2 3.32Å; K1295-E1377 PolarHBondContact N-OE2 3.14Å |
| 1296 | R | 89.3 | Confident | 90.6 | Very high | 143 Ų | 143 | 46 Ų | 46 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -140.7 | -47.2 | -167.9 | -167.1 | 173.5 | 70.7 | 117.2 | 0.4 | 115.1 | H1324 E1377 | R1296-H1324 PolarHBondContact O-N 3.2Å; R1296-E1377 PolarHBondContact N-OE2 3.33Å |
| 1297 | T | 94.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.6 | -168.3 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | H1324 F1326 Q1375 E1377 L1378 | T1297-H1324 WeakPolarHBondContact CA-O 3.44Å; T1297-H1324 HydrophobicContact CG2-CB 4.31Å; T1297-F1326 HydrophobicContact CG2-CE2 3.97Å; T1297-Q1375 WeakPolarHBondContact CB-O 3.41Å; T1297-Q1375 PolarHBondContact OG1-O 3.04Å; T1297-E1377 PolarHBondContact N-OE2 2.92Å; T1297-E1377 PolarHBondContact O-N 2.92Å; T1297-E1377 PolarHBondContact OG1-N 3.24Å; T1297-L1378 PolarHBondContact O-N 3.1Å |
| 1298 | I | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132 | 178.3 | -56.6 | 178.1 | 0 | 0 | 0 | 109.1 | P1294 L1300 L1318 Y1323 H1324 L1325 F1326 L1378 | P1294-I1298 HydrophobicContact CB-CG1 4.24Å; P1294-I1298 HydrophobicContact CG-CD1 4.22Å; P1294-I1298 HydrophobicContact CG-CG1 4.37Å; I1298-L1300 HydrophobicContact CG2-CD2 4.22Å; I1298-L1318 HydrophobicContact CD1-CD1 4.18Å; I1298-L1318 HydrophobicContact CD1-CD2 3.6Å; I1298-L1318 HydrophobicContact CD1-CG 4.4Å; I1298-Y1323 HydrophobicContact CD1-CD1 3.78Å; I1298-Y1323 HydrophobicContact CD1-CD2 3.84Å; I1298-Y1323 HydrophobicContact CD1-CE1 4.15Å; I1298-Y1323 HydrophobicContact CD1-CE2 4.19Å; I1298-Y1323 HydrophobicContact CD1-CG 3.6Å; I1298-Y1323 HydrophobicContact CG1-CD1 4.04Å; I1298-Y1323 HydrophobicContact CG1-CG 4.19Å; I1298-H1324 PolarHBondContact N-O 3.29Å; I1298-H1324 VanDerWaalsContact N-O 3.15Å; I1298-L1325 HydrophobicContact CB-CD2 4.04Å; I1298-F1326 PolarHBondContact O-N 3.4Å; I1298-L1378 WeakPolarHBondContact CA-O 3.39Å; I1298-L1378 HydrophobicContact CD1-CD2 4.24Å; I1298-L1378 HydrophobicContact CG1-CB 4.24Å; I1298-L1378 HydrophobicContact CG1-CD2 4.42Å; I1298-L1378 HydrophobicContact CG2-CB 4.34Å; I1298-L1378 HydrophobicContact CG2-CD2 4.19Å; I1298-L1378 HydrophobicContact CG2-CG 4.25Å |
| 1299 | F | 97.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.6 | 174.6 | 177.7 | -103.5 | 0 | 0 | 0 | 111.7 | F1326 A1327 V1345 I1367 F1376 L1378 V1379 I1380 T1402 | F1299-F1326 CarbonylContact C-O 3.45Å; F1299-F1326 WeakPolarHBondContact CA-O 3.46Å; F1299-F1326 HydrophobicContact CB-CB 4.5Å; F1299-F1326 HydrophobicContact CD2-CB 3.83Å; F1299-A1327 VanDerWaalsContact CE2-C 3.48Å; F1299-V1345 HydrophobicContact CE2-CB 4.43Å; F1299-I1367 HydrophobicContact CE1-CD1 4.41Å; F1299-I1367 HydrophobicContact CE1-CG2 4.24Å; F1299-I1367 HydrophobicContact CE2-CD1 4.02Å; F1299-I1367 HydrophobicContact CE2-CG1 3.9Å; F1299-I1367 HydrophobicContact CZ-CD1 3.49Å; F1299-I1367 VanDerWaalsContact CZ-CD1 3.49Å; F1299-I1367 HydrophobicContact CZ-CG1 3.75Å; F1299-I1367 HydrophobicContact CZ-CG2 4.2Å; F1299-F1376 HydrophobicContact CB-CB 4.29Å; F1299-F1376 HydrophobicContact CB-CD1 3.85Å; F1299-F1376 HydrophobicContact CB-CD2 3.59Å; F1299-F1376 HydrophobicContact CB-CE1 4Å; F1299-F1376 HydrophobicContact CB-CE2 3.74Å; F1299-F1376 HydrophobicContact CB-CG 3.65Å; F1299-F1376 HydrophobicContact CB-CZ 3.95Å; F1299-F1376 HydrophobicContact CD1-CD2 4.4Å; F1299-F1376 HydrophobicContact CD1-CE2 4.18Å; F1299-F1376 HydrophobicContact CD2-CD2 4.38Å; F1299-F1376 HydrophobicContact CD2-CE1 4.14Å; F1299-F1376 AromaticContact CD2-CE2 3.64Å; F1299-F1376 HydrophobicContact CD2-CE2 3.64Å; F1299-F1376 AromaticContact CD2-CZ 3.5Å; F1299-F1376 HydrophobicContact CD2-CZ 3.5Å; F1299-F1376 VanDerWaalsContact CD2-CZ 3.5Å; F1299-F1376 HydrophobicContact CE2-CE2 4.31Å; F1299-F1376 HydrophobicContact CE2-CZ 4.24Å; F1299-F1376 AromaticContact CG-CD2 3.88Å; F1299-F1376 HydrophobicContact CG-CD2 3.88Å; F1299-F1376 HydrophobicContact CG-CE1 4.38Å; F1299-F1376 AromaticContact CG-CE2 3.57Å; F1299-F1376 HydrophobicContact CG-CE2 3.57Å; F1299-F1376 HydrophobicContact CG-CG 4.4Å; F1299-F1376 AromaticContact CG-CZ 3.85Å; F1299-F1376 HydrophobicContact CG-CZ 3.85Å; F1299-L1378 PolarHBondContact N-O 3.06Å; F1299-V1379 HydrophobicContact CB-CG2 4.45Å; F1299-V1379 HydrophobicContact CD1-CG1 4.12Å; F1299-V1379 HydrophobicContact CD1-CG2 4.5Å; F1299-I1380 PolarHBondContact O-N 3.46Å; F1299-T1402 HydrophobicContact CE1-CG2 4.06Å |
| 1300 | L | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.4 | -177 | -60.3 | 171 | 0 | 0 | 0 | 110.7 | I1298 V1315 L1325 F1326 A1327 S1328 T1331 I1342 I1380 | I1298-L1300 HydrophobicContact CG2-CD2 4.22Å; L1300-V1315 HydrophobicContact CD1-CG1 3.87Å; L1300-V1315 HydrophobicContact CD1-CG2 3.92Å; L1300-L1325 HydrophobicContact CD1-CD1 4.48Å; L1300-F1326 PolarHBondContact N-O 3.15Å; L1300-A1327 HydrophobicContact CB-CB 4.25Å; L1300-A1327 WeakPolarHBondContact O-CA 3.5Å; L1300-A1327 VanDerWaalsContact O-CB 3.24Å; L1300-A1327 WeakPolarHBondContact O-CB 3.38Å; L1300-S1328 PolarHBondContact O-N 2.92Å; L1300-T1331 HydrophobicContact CB-CG2 4.23Å; L1300-I1342 HydrophobicContact CD1-CD1 3.8Å; L1300-I1380 HydrophobicContact CD2-CB 3.77Å; L1300-I1380 HydrophobicContact CD2-CD1 3.81Å; L1300-I1380 HydrophobicContact CD2-CG1 4.1Å; L1300-I1380 HydrophobicContact CD2-CG2 4.42Å |
| 1301 | S | 94.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 101.3 | 169.8 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | I1380 N1381 L1382 | S1301-I1380 PolarHBondContact N-O 3.22Å; S1301-N1381 CarbonylContact O-C 3.39Å; S1301-N1381 VanDerWaalsContact O-CA 3.28Å; S1301-N1381 WeakPolarHBondContact O-CA 3.3Å; S1301-L1382 PolarHBondContact O-N 2.92Å |
| 1302 | I | 92.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.9 | -172.1 | -59.2 | 173.9 | 0 | 0 | 0 | 108.3 | Q1307 K1308 M1311 T1331 Y1335 L1382 | I1302-Q1307 HydrophobicContact CG2-CB 3.6Å; I1302-K1308 HydrophobicContact CB-CG 3.95Å; I1302-K1308 HydrophobicContact CG2-CB 4.39Å; I1302-K1308 HydrophobicContact CG2-CG 3.63Å; I1302-K1308 WeakPolarHBondContact O-CE 3.38Å; I1302-M1311 HydrophobicContact CD1-CB 4.05Å; I1302-M1311 HydrophobicContact CD1-CG 4.11Å; I1302-T1331 HydrophobicContact CB-CG2 4.23Å; I1302-T1331 HydrophobicContact CG1-CG2 4.35Å; I1302-T1331 PolarHBondContact N-OG1 3.15Å; I1302-T1331 VanDerWaalsContact N-OG1 3.09Å; I1302-T1331 PolarHBondContact O-OG1 3.23Å; I1302-Y1335 HydrophobicContact CD1-CE2 4.02Å; I1302-Y1335 VanDerWaalsContact CD1-OH 3.24Å; I1302-Y1335 WeakPolarHBondContact CD1-OH 3.43Å; I1302-L1382 HydrophobicContact CD1-CD1 4.35Å; I1302-L1382 HydrophobicContact CG1-CB 4.5Å; I1302-L1382 HydrophobicContact CG1-CD1 4.09Å; I1302-L1382 HydrophobicContact CG1-CG 4.25Å; I1302-L1382 HydrophobicContact CG2-CB 4.29Å; I1302-L1382 HydrophobicContact CG2-CD1 4.09Å |
| 1303 | G | 81.9 | Confident | 91.3 | Very high | 27 Ų | 27 | 47 Ų | 47 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | trans | -66.3 | -64.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1382 M1384 | G1303-L1382 PolarHBondContact N-O 3.2Å; G1303-M1384 VanDerWaalsContact CA-CG 3.44Å | ||
| 1304 | S | 83.9 | Confident | 91.6 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -82 | 143.1 | -170.4 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | K1306 Q1307 K1308 | S1304-K1306 PolarHBondContact O-N 3.14Å; S1304-Q1307 PolarHBondContact O-N 2.73Å; S1304-Q1307 WeakPolarHBondContact OG-CB 3.18Å; S1304-Q1307 VanDerWaalsContact OG-CD 3.22Å; S1304-Q1307 VanDerWaalsContact OG-CG 3.22Å; S1304-Q1307 WeakPolarHBondContact OG-CG 3.35Å; S1304-Q1307 PolarHBondContact OG-N 3.12Å; S1304-Q1307 PolarHBondContact OG-OE1 3.28Å; S1304-K1308 WeakPolarHBondContact O-CG 3.46Å; S1304-K1308 PolarHBondContact O-N 2.96Å |
| 1305 | F | 87.3 | Confident | 91.9 | Very high | 142 Ų | 142 | 45.8 Ų | 45.8 | 62% | 0.623 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -55.5 | -38.3 | 173.8 | -179.6 | -92.2 | 0 | 0 | 0 | 112.3 | K1308 K1309 F1334 | F1305-K1308 PolarHBondContact O-N 3.45Å; F1305-K1309 PolarHBondContact O-N 2.86Å; F1305-F1334 HydrophobicContact CD2-CD2 4.23Å; F1305-F1334 AromaticContact CD2-CE2 3.9Å; F1305-F1334 HydrophobicContact CD2-CE2 3.9Å; F1305-F1334 HydrophobicContact CE2-CD2 4.03Å; F1305-F1334 AromaticContact CE2-CE2 3.46Å; F1305-F1334 HydrophobicContact CE2-CE2 3.46Å; F1305-F1334 VanDerWaalsContact CE2-CE2 3.46Å; F1305-F1334 HydrophobicContact CZ-CE2 4.1Å |
| 1306 | K | 86.2 | Confident | 92.3 | Very high | 113 Ų | 113 | 44.1 Ų | 44.1 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 177 | -174.9 | -173.4 | 169.9 | -162.8 | 0 | 111.8 | E1114 S1304 K1309 E1310 | E1114-K1306 IonicContact OE1-NZ 2.66Å; E1114-K1306 PolarHBondContact OE1-NZ 2.83Å; E1114-K1306 IonicContact OE2-NZ 3.7Å; E1114-K1306 PolarHBondContact OE2-NZ 2.89Å; S1304-K1306 PolarHBondContact O-N 3.14Å; K1306-K1309 PolarHBondContact O-N 2.85Å; K1306-E1310 PolarHBondContact O-N 3.5Å |
| 1307 | Q | 90.2 | Very high | 92.5 | Very high | 29 Ų | 29 | 39 Ų | 39 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 177.5 | -73.6 | 163.7 | -32.7 | 0 | 0 | 111.9 | I1302 S1304 K1309 E1310 M1311 L1382 V1417 | I1302-Q1307 HydrophobicContact CG2-CB 3.6Å; S1304-Q1307 PolarHBondContact O-N 2.73Å; S1304-Q1307 WeakPolarHBondContact OG-CB 3.18Å; S1304-Q1307 VanDerWaalsContact OG-CD 3.22Å; S1304-Q1307 VanDerWaalsContact OG-CG 3.22Å; S1304-Q1307 WeakPolarHBondContact OG-CG 3.35Å; S1304-Q1307 PolarHBondContact OG-N 3.12Å; S1304-Q1307 PolarHBondContact OG-OE1 3.28Å; Q1307-K1309 VanDerWaalsContact C-N 3.32Å; Q1307-K1309 PolarHBondContact O-N 2.88Å; Q1307-E1310 PolarHBondContact O-N 3.29Å; Q1307-M1311 VanDerWaalsContact O-CB 3.32Å; Q1307-M1311 WeakPolarHBondContact O-CB 2.89Å; Q1307-M1311 WeakPolarHBondContact O-CG 3.18Å; Q1307-M1311 PolarHBondContact O-N 3.47Å; Q1307-L1382 HydrophobicContact CB-CD1 4.3Å; Q1307-V1417 HydrophobicContact CG-CG2 4.41Å |
| 1308 | K | 93.2 | Very high | 92.5 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 173.4 | -66.9 | -178.4 | -172.9 | 174.8 | 0 | 111.5 | I1302 S1304 F1305 L1312 G1330 F1334 Y1335 | I1302-K1308 HydrophobicContact CB-CG 3.95Å; I1302-K1308 HydrophobicContact CG2-CB 4.39Å; I1302-K1308 HydrophobicContact CG2-CG 3.63Å; I1302-K1308 WeakPolarHBondContact O-CE 3.38Å; S1304-K1308 WeakPolarHBondContact O-CG 3.46Å; S1304-K1308 PolarHBondContact O-N 2.96Å; F1305-K1308 PolarHBondContact O-N 3.45Å; K1308-L1312 PolarHBondContact O-N 2.76Å; K1308-G1330 PolarHBondContact NZ-O 3.16Å; K1308-F1334 HydrophobicContact CB-CD1 3.65Å; K1308-F1334 HydrophobicContact CB-CD2 4.46Å; K1308-F1334 HydrophobicContact CB-CE1 3.53Å; K1308-F1334 HydrophobicContact CB-CE2 4.35Å; K1308-F1334 HydrophobicContact CB-CG 4.13Å; K1308-F1334 HydrophobicContact CB-CZ 3.9Å; K1308-F1334 HydrophobicContact CD-CB 3.88Å; K1308-F1334 HydrophobicContact CD-CD1 4Å; K1308-F1334 HydrophobicContact CD-CD2 4.19Å; K1308-F1334 HydrophobicContact CD-CG 3.74Å; K1308-F1334 HydrophobicContact CG-CD1 4.28Å; K1308-F1334 HydrophobicContact CG-CG 4.49Å; K1308-Y1335 WeakPolarHBondContact CA-OH 3.35Å; K1308-Y1335 WeakPolarHBondContact O-CE1 3.05Å; K1308-Y1335 PolarHBondContact O-OH 3.44Å; K1308-Y1335 VanDerWaalsContact O-OH 3.06Å |
| 1309 | K | 92.4 | Very high | 92.3 | Very high | 143 Ų | 143 | 40.9 Ų | 40.9 | 62% | 0.622 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.7 | -43.1 | 175.8 | -169.7 | 177.3 | -178.9 | 178.8 | 0 | 112.2 | F1305 K1306 Q1307 M1311 L1312 | F1305-K1309 PolarHBondContact O-N 2.86Å; K1306-K1309 PolarHBondContact O-N 2.85Å; Q1307-K1309 VanDerWaalsContact C-N 3.32Å; Q1307-K1309 PolarHBondContact O-N 2.88Å; K1309-M1311 VanDerWaalsContact C-N 3.35Å; K1309-M1311 PolarHBondContact O-N 3.05Å; K1309-L1312 VanDerWaalsContact O-CB 3.29Å; K1309-L1312 WeakPolarHBondContact O-CB 3.34Å; K1309-L1312 PolarHBondContact O-N 3.24Å |
| 1310 | E | 92.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 178.8 | -176.7 | 172.2 | 178.7 | 0 | 0 | 112.5 | K1306 Q1307 L1312 V1417 K1418 K1421 | K1306-E1310 PolarHBondContact O-N 3.5Å; Q1307-E1310 PolarHBondContact O-N 3.29Å; E1310-L1312 VanDerWaalsContact C-N 3.32Å; E1310-V1417 HydrophobicContact CG-CG2 4.35Å; E1310-K1418 IonicContact OE1-NZ 3.14Å; E1310-K1418 PolarHBondContact OE1-NZ 3.05Å; E1310-K1421 HydrophobicContact CG-CD 4.04Å; E1310-K1421 IonicContact OE1-NZ 2.87Å; E1310-K1421 PolarHBondContact OE1-NZ 3.37Å |
| 1311 | M | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.8 | -9.9 | 179.2 | -75.2 | -63.3 | -66.7 | 0 | 0 | 113.8 | I1302 Q1307 K1309 A1313 C1314 V1315 Y1335 L1382 V1417 A1420 K1421 | I1302-M1311 HydrophobicContact CD1-CB 4.05Å; I1302-M1311 HydrophobicContact CD1-CG 4.11Å; Q1307-M1311 VanDerWaalsContact O-CB 3.32Å; Q1307-M1311 WeakPolarHBondContact O-CB 2.89Å; Q1307-M1311 WeakPolarHBondContact O-CG 3.18Å; Q1307-M1311 PolarHBondContact O-N 3.47Å; K1309-M1311 VanDerWaalsContact C-N 3.35Å; K1309-M1311 PolarHBondContact O-N 3.05Å; M1311-A1313 VanDerWaalsContact C-N 3.3Å; M1311-A1313 PolarHBondContact O-N 3.16Å; M1311-C1314 HydrophobicContact CE-CB 3.96Å; M1311-C1314 CarbonylContact O-C 3.53Å; M1311-C1314 WeakPolarHBondContact O-CA 3.41Å; M1311-C1314 WeakPolarHBondContact O-CB 3.16Å; M1311-C1314 PolarHBondContact O-N 3.44Å; M1311-C1314 HydrophobicContact SD-CB 4.44Å; M1311-V1315 HydrophobicContact CB-CG2 4.3Å; M1311-V1315 WeakPolarHBondContact O-CG2 3.39Å; M1311-V1315 PolarHBondContact O-N 3.47Å; M1311-Y1335 WeakPolarHBondContact CB-OH 3.37Å; M1311-L1382 HydrophobicContact CG-CD1 3.99Å; M1311-V1417 HydrophobicContact CG-CG2 3.95Å; M1311-V1417 HydrophobicContact SD-CG2 3.98Å; M1311-A1420 HydrophobicContact CE-CB 3.74Å; M1311-A1420 HydrophobicContact SD-CB 4.02Å; M1311-K1421 HydrophobicContact SD-CD 4.48Å; M1311-K1421 HydrophobicContact SD-CG 3.7Å |
| 1312 | L | 95.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.9 | -43.2 | -172.3 | -176.9 | 64.4 | 0 | 0 | 0 | 113.7 | K1308 K1309 E1310 V1315 R1316 Y1335 H1338 I1340 | K1308-L1312 PolarHBondContact O-N 2.76Å; K1309-L1312 VanDerWaalsContact O-CB 3.29Å; K1309-L1312 WeakPolarHBondContact O-CB 3.34Å; K1309-L1312 PolarHBondContact O-N 3.24Å; E1310-L1312 VanDerWaalsContact C-N 3.32Å; L1312-V1315 PolarHBondContact O-N 3.36Å; L1312-R1316 WeakPolarHBondContact O-CG 3.16Å; L1312-R1316 PolarHBondContact O-N 3.13Å; L1312-R1316 VanDerWaalsContact O-N 3.11Å; L1312-Y1335 HydrophobicContact CB-CE1 4.39Å; L1312-Y1335 HydrophobicContact CD1-CD1 3.66Å; L1312-Y1335 HydrophobicContact CD1-CE1 3.81Å; L1312-H1338 HydrophobicContact CD1-CB 3.76Å; L1312-I1340 HydrophobicContact CD1-CD1 3.92Å |
| 1313 | A | 93.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1311 V1315 R1316 D1317 | M1311-A1313 VanDerWaalsContact C-N 3.3Å; M1311-A1313 PolarHBondContact O-N 3.16Å; A1313-V1315 PolarHBondContact O-N 3.07Å; A1313-R1316 WeakPolarHBondContact O-CB 3.11Å; A1313-R1316 PolarHBondContact O-N 3.12Å; A1313-D1317 PolarHBondContact O-N 3.31Å |
| 1314 | C | 95.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 178.3 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | M1311 R1316 D1317 L1318 V1424 | M1311-C1314 HydrophobicContact CE-CB 3.96Å; M1311-C1314 CarbonylContact O-C 3.53Å; M1311-C1314 WeakPolarHBondContact O-CA 3.41Å; M1311-C1314 WeakPolarHBondContact O-CB 3.16Å; M1311-C1314 PolarHBondContact O-N 3.44Å; M1311-C1314 HydrophobicContact SD-CB 4.44Å; C1314-R1316 VanDerWaalsContact C-N 3.32Å; C1314-R1316 PolarHBondContact O-N 3.08Å; C1314-D1317 WeakPolarHBondContact O-CB 3.08Å; C1314-D1317 PolarHBondContact O-N 3.25Å; C1314-L1318 WeakPolarHBondContact O-CG 3.14Å; C1314-L1318 PolarHBondContact O-N 3.3Å; C1314-V1424 HydrophobicContact CB-CB 4.04Å; C1314-V1424 HydrophobicContact CB-CG1 3.89Å; C1314-V1424 HydrophobicContact CB-CG2 4.11Å |
| 1315 | V | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -36 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | L1300 M1311 L1312 A1313 L1318 S1319 L1325 Y1335 I1340 | L1300-V1315 HydrophobicContact CD1-CG1 3.87Å; L1300-V1315 HydrophobicContact CD1-CG2 3.92Å; M1311-V1315 HydrophobicContact CB-CG2 4.3Å; M1311-V1315 WeakPolarHBondContact O-CG2 3.39Å; M1311-V1315 PolarHBondContact O-N 3.47Å; L1312-V1315 PolarHBondContact O-N 3.36Å; A1313-V1315 PolarHBondContact O-N 3.07Å; V1315-L1318 PolarHBondContact O-N 2.97Å; V1315-S1319 PolarHBondContact O-N 3.33Å; V1315-L1325 HydrophobicContact CG1-CD1 3.93Å; V1315-Y1335 HydrophobicContact CB-CD1 4.36Å; V1315-Y1335 HydrophobicContact CB-CE1 4.12Å; V1315-Y1335 HydrophobicContact CG1-CD1 4.17Å; V1315-Y1335 HydrophobicContact CG1-CD2 4.21Å; V1315-Y1335 HydrophobicContact CG1-CE1 4.36Å; V1315-Y1335 HydrophobicContact CG1-CE2 4.37Å; V1315-Y1335 HydrophobicContact CG1-CG 4.1Å; V1315-Y1335 HydrophobicContact CG2-CE1 4Å; V1315-Y1335 HydrophobicContact CG2-CE2 3.97Å; V1315-I1340 HydrophobicContact CB-CD1 4.18Å; V1315-I1340 HydrophobicContact CG1-CD1 3.84Å; V1315-I1340 HydrophobicContact CG1-CG2 4.21Å |
| 1316 | R | 95.5 | Very high | 92.9 | Very high | 116 Ų | 116 | 46.2 Ų | 46.2 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 169.5 | -72.5 | 179.8 | -178.1 | 136.6 | 0 | 111.9 | L1312 A1313 C1314 L1318 S1319 S1320 H1338 I1340 | L1312-R1316 WeakPolarHBondContact O-CG 3.16Å; L1312-R1316 PolarHBondContact O-N 3.13Å; L1312-R1316 VanDerWaalsContact O-N 3.11Å; A1313-R1316 WeakPolarHBondContact O-CB 3.11Å; A1313-R1316 PolarHBondContact O-N 3.12Å; C1314-R1316 VanDerWaalsContact C-N 3.32Å; C1314-R1316 PolarHBondContact O-N 3.08Å; R1316-L1318 VanDerWaalsContact C-N 3.34Å; R1316-L1318 PolarHBondContact O-N 2.98Å; R1316-S1319 PolarHBondContact O-N 3.43Å; R1316-S1320 WeakPolarHBondContact O-CB 3.39Å; R1316-S1320 PolarHBondContact O-N 3.33Å; R1316-S1320 PolarHBondContact O-OG 2.91Å; R1316-H1338 PolarHBondContact NH2-O 3.01Å; R1316-I1340 HydrophobicContact CB-CD1 4.47Å; R1316-I1340 HydrophobicContact CG-CD1 3.46Å; R1316-I1340 VanDerWaalsContact CG-CD1 3.46Å; R1316-I1340 HydrophobicContact CG-CG1 3.87Å |
| 1317 | D | 93 | Very high | 93.3 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 177 | -76.4 | -29 | 0 | 0 | 0 | 111.2 | A1313 C1314 S1319 S1320 M1321 V1424 K1428 | A1313-D1317 PolarHBondContact O-N 3.31Å; C1314-D1317 WeakPolarHBondContact O-CB 3.08Å; C1314-D1317 PolarHBondContact O-N 3.25Å; D1317-S1319 PolarHBondContact O-N 3.11Å; D1317-S1320 WeakPolarHBondContact CA-OG 3.43Å; D1317-S1320 PolarHBondContact O-N 3.09Å; D1317-S1320 PolarHBondContact O-OG 3.18Å; D1317-M1321 WeakPolarHBondContact O-CG 3.38Å; D1317-M1321 PolarHBondContact O-N 3Å; D1317-V1424 HydrophobicContact CB-CG1 3.84Å; D1317-K1428 HydrophobicContact CB-CD 4.35Å; D1317-K1428 IonicContact OD1-NZ 3.69Å; D1317-K1428 PolarHBondContact OD1-NZ 2.87Å; D1317-K1428 IonicContact OD2-NZ 2.63Å |
| 1318 | L | 93.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -46 | 174.8 | -71.9 | 177 | 0 | 0 | 0 | 112.2 | I1298 C1314 V1315 R1316 S1320 M1321 Y1323 L1325 I1380 V1424 | I1298-L1318 HydrophobicContact CD1-CD1 4.18Å; I1298-L1318 HydrophobicContact CD1-CD2 3.6Å; I1298-L1318 HydrophobicContact CD1-CG 4.4Å; C1314-L1318 WeakPolarHBondContact O-CG 3.14Å; C1314-L1318 PolarHBondContact O-N 3.3Å; V1315-L1318 PolarHBondContact O-N 2.97Å; R1316-L1318 VanDerWaalsContact C-N 3.34Å; R1316-L1318 PolarHBondContact O-N 2.98Å; L1318-S1320 VanDerWaalsContact C-N 3.35Å; L1318-S1320 PolarHBondContact O-N 2.79Å; L1318-M1321 HydrophobicContact CD2-CE 3.75Å; L1318-M1321 PolarHBondContact O-N 2.99Å; L1318-Y1323 HydrophobicContact CB-CD2 4.45Å; L1318-Y1323 HydrophobicContact CD2-CD2 3.91Å; L1318-Y1323 HydrophobicContact CD2-CE2 4.11Å; L1318-Y1323 WeakPolarHBondContact O-CD2 3.43Å; L1318-Y1323 PolarHBondContact O-N 3.48Å; L1318-L1325 HydrophobicContact CB-CD1 4.39Å; L1318-L1325 HydrophobicContact CB-CD2 4.03Å; L1318-L1325 HydrophobicContact CD1-CD2 4.48Å; L1318-I1380 HydrophobicContact CD1-CD1 4.48Å; L1318-V1424 HydrophobicContact CD1-CG2 3.96Å; L1318-V1424 HydrophobicContact CD2-CG1 4.16Å; L1318-V1424 HydrophobicContact CD2-CG2 3.82Å; L1318-V1424 HydrophobicContact CG-CG1 4.06Å; L1318-V1424 HydrophobicContact CG-CG2 3.82Å |
| 1319 | S | 92.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | V1315 R1316 D1317 M1321 G1322 | V1315-S1319 PolarHBondContact O-N 3.33Å; R1316-S1319 PolarHBondContact O-N 3.43Å; D1317-S1319 PolarHBondContact O-N 3.11Å; S1319-M1321 VanDerWaalsContact C-N 3.3Å; S1319-M1321 PolarHBondContact O-N 3.5Å; S1319-G1322 PolarHBondContact O-N 3.2Å |
| 1320 | S | 89.1 | Confident | 92.9 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 62% | 0.615 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67 | -27.6 | 179 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | R1316 D1317 L1318 G1322 | R1316-S1320 WeakPolarHBondContact O-CB 3.39Å; R1316-S1320 PolarHBondContact O-N 3.33Å; R1316-S1320 PolarHBondContact O-OG 2.91Å; D1317-S1320 WeakPolarHBondContact CA-OG 3.43Å; D1317-S1320 PolarHBondContact O-N 3.09Å; D1317-S1320 PolarHBondContact O-OG 3.18Å; L1318-S1320 VanDerWaalsContact C-N 3.35Å; L1318-S1320 PolarHBondContact O-N 2.79Å; S1320-G1322 PolarHBondContact O-N 2.86Å |
| 1321 | M | 89.1 | Confident | 92.9 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -4.6 | 172.2 | -70.8 | -173.7 | -72.3 | 0 | 0 | 113.1 | D1317 L1318 S1319 Y1323 V1424 L1427 K1428 | D1317-M1321 WeakPolarHBondContact O-CG 3.38Å; D1317-M1321 PolarHBondContact O-N 3Å; L1318-M1321 HydrophobicContact CD2-CE 3.75Å; L1318-M1321 PolarHBondContact O-N 2.99Å; S1319-M1321 VanDerWaalsContact C-N 3.3Å; S1319-M1321 PolarHBondContact O-N 3.5Å; M1321-Y1323 HydrophobicContact CB-CD2 3.93Å; M1321-Y1323 HydrophobicContact CB-CE2 3.96Å; M1321-Y1323 HydrophobicContact CE-CD2 4.34Å; M1321-Y1323 HydrophobicContact CE-CE2 3.95Å; M1321-Y1323 HydrophobicContact SD-CE2 4.35Å; M1321-V1424 HydrophobicContact CE-CG1 4.29Å; M1321-L1427 HydrophobicContact CE-CB 4.29Å; M1321-L1427 HydrophobicContact SD-CB 4.4Å; M1321-K1428 HydrophobicContact CE-CB 4.44Å; M1321-K1428 VanDerWaalsContact SD-CA 3.53Å; M1321-K1428 HydrophobicContact SD-CB 3.91Å; M1321-K1428 HydrophobicContact SD-CG 4.44Å |
| 1322 | G | 88.3 | Confident | 92.8 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 17.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1319 S1320 | S1319-G1322 PolarHBondContact O-N 3.2Å; S1320-G1322 PolarHBondContact O-N 2.86Å |
| 1323 | Y | 92 | Very high | 92.7 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | trans | -70 | 137.9 | 172.6 | -70.2 | -71.3 | 0 | 0 | 0 | 111.2 | P1294 I1298 L1318 M1321 L1325 G1432 | P1294-Y1323 HydrophobicContact CB-CE1 4.13Å; P1294-Y1323 HydrophobicContact CG-CE1 4.15Å; P1294-Y1323 VanDerWaalsContact O-CE1 3.26Å; P1294-Y1323 WeakPolarHBondContact O-CE1 3.47Å; P1294-Y1323 PolarHBondContact O-OH 3.26Å; I1298-Y1323 HydrophobicContact CD1-CD1 3.78Å; I1298-Y1323 HydrophobicContact CD1-CD2 3.84Å; I1298-Y1323 HydrophobicContact CD1-CE1 4.15Å; I1298-Y1323 HydrophobicContact CD1-CE2 4.19Å; I1298-Y1323 HydrophobicContact CD1-CG 3.6Å; I1298-Y1323 HydrophobicContact CG1-CD1 4.04Å; I1298-Y1323 HydrophobicContact CG1-CG 4.19Å; L1318-Y1323 HydrophobicContact CB-CD2 4.45Å; L1318-Y1323 HydrophobicContact CD2-CD2 3.91Å; L1318-Y1323 HydrophobicContact CD2-CE2 4.11Å; L1318-Y1323 WeakPolarHBondContact O-CD2 3.43Å; L1318-Y1323 PolarHBondContact O-N 3.48Å; M1321-Y1323 HydrophobicContact CB-CD2 3.93Å; M1321-Y1323 HydrophobicContact CB-CE2 3.96Å; M1321-Y1323 HydrophobicContact CE-CD2 4.34Å; M1321-Y1323 HydrophobicContact CE-CE2 3.95Å; M1321-Y1323 HydrophobicContact SD-CE2 4.35Å; Y1323-L1325 PolarHBondContact O-N 3.04Å; Y1323-G1432 PolarHBondContact OH-O 3.17Å | ||
| 1324 | H | 94.1 | Very high | 92.8 | Very high | 106 Ų | 106 | 35.3 Ų | 35.3 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 107.3 | 168.1 | -63.3 | -49.6 | 0 | 0 | 0 | 109.1 | R1296 T1297 I1298 F1326 | R1296-H1324 PolarHBondContact O-N 3.2Å; T1297-H1324 WeakPolarHBondContact CA-O 3.44Å; T1297-H1324 HydrophobicContact CG2-CB 4.31Å; I1298-H1324 PolarHBondContact N-O 3.29Å; I1298-H1324 VanDerWaalsContact N-O 3.15Å; H1324-F1326 HydrophobicContact CB-CE2 4.3Å |
| 1325 | L | 96.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.4 | -176.5 | -54.4 | -176.6 | 0 | 0 | 0 | 110.4 | I1298 L1300 V1315 L1318 Y1323 I1340 I1342 T1343 | I1298-L1325 HydrophobicContact CB-CD2 4.04Å; L1300-L1325 HydrophobicContact CD1-CD1 4.48Å; V1315-L1325 HydrophobicContact CG1-CD1 3.93Å; L1318-L1325 HydrophobicContact CB-CD1 4.39Å; L1318-L1325 HydrophobicContact CB-CD2 4.03Å; L1318-L1325 HydrophobicContact CD1-CD2 4.48Å; Y1323-L1325 PolarHBondContact O-N 3.04Å; L1325-I1340 HydrophobicContact CD1-CG2 4.29Å; L1325-I1342 HydrophobicContact CB-CB 4.27Å; L1325-I1342 HydrophobicContact CB-CD1 3.89Å; L1325-I1342 HydrophobicContact CB-CG1 3.74Å; L1325-T1343 PolarHBondContact O-N 2.95Å |
| 1326 | F | 96.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.9 | 168.6 | -65.8 | -97.5 | 0 | 0 | 0 | 108.8 | T1297 I1298 F1299 L1300 H1324 T1343 V1345 Y1370 F1376 | T1297-F1326 HydrophobicContact CG2-CE2 3.97Å; I1298-F1326 PolarHBondContact O-N 3.4Å; F1299-F1326 CarbonylContact C-O 3.45Å; F1299-F1326 WeakPolarHBondContact CA-O 3.46Å; F1299-F1326 HydrophobicContact CB-CB 4.5Å; F1299-F1326 HydrophobicContact CD2-CB 3.83Å; L1300-F1326 PolarHBondContact N-O 3.15Å; H1324-F1326 HydrophobicContact CB-CE2 4.3Å; F1326-T1343 CarbonylContact C-O 3.49Å; F1326-T1343 VanDerWaalsContact CA-O 3.29Å; F1326-T1343 WeakPolarHBondContact CA-O 3.21Å; F1326-T1343 HydrophobicContact CD1-CG2 3.88Å; F1326-T1343 HydrophobicContact CE1-CG2 3.86Å; F1326-V1345 HydrophobicContact CB-CG2 4.07Å; F1326-V1345 HydrophobicContact CD1-CG2 3.71Å; F1326-V1345 HydrophobicContact CG-CG2 4.36Å; F1326-Y1370 HydrophobicContact CD1-CE1 4.48Å; F1326-Y1370 AromaticContact CE1-CE1 3.99Å; F1326-Y1370 HydrophobicContact CE1-CE1 3.99Å; F1326-Y1370 HydrophobicContact CZ-CE1 4.35Å; F1326-F1376 HydrophobicContact CB-CE1 3.69Å; F1326-F1376 HydrophobicContact CB-CZ 4.16Å; F1326-F1376 HydrophobicContact CD1-CE1 4.11Å; F1326-F1376 HydrophobicContact CD2-CD1 4.31Å; F1326-F1376 AromaticContact CD2-CE1 3.92Å; F1326-F1376 HydrophobicContact CD2-CE1 3.92Å; F1326-F1376 HydrophobicContact CG-CD1 4.45Å; F1326-F1376 AromaticContact CG-CE1 3.64Å; F1326-F1376 HydrophobicContact CG-CE1 3.64Å; F1326-F1376 HydrophobicContact CG-CZ 4.44Å |
| 1327 | A | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 156.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1299 L1300 T1331 A1332 I1342 T1343 P1344 V1345 | F1299-A1327 VanDerWaalsContact CE2-C 3.48Å; L1300-A1327 HydrophobicContact CB-CB 4.25Å; L1300-A1327 WeakPolarHBondContact O-CA 3.5Å; L1300-A1327 VanDerWaalsContact O-CB 3.24Å; L1300-A1327 WeakPolarHBondContact O-CB 3.38Å; A1327-T1331 HydrophobicContact CB-CG2 3.94Å; A1327-A1332 HydrophobicContact CB-CB 3.85Å; A1327-I1342 HydrophobicContact CB-CD1 3.33Å; A1327-I1342 HydrophobicContact CB-CG1 3.76Å; A1327-T1343 PolarHBondContact N-O 3.01Å; A1327-P1344 CarbonylContact O-C 3.39Å; A1327-P1344 WeakPolarHBondContact O-CA 3.45Å; A1327-V1345 PolarHBondContact O-N 3.42Å |
| 1328 | S | 91.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 146.2 | 162.6 | 58.7 | 0 | 0 | 0 | 0 | 110 | L1300 G1330 T1331 A1332 | L1300-S1328 PolarHBondContact O-N 2.92Å; S1328-G1330 PolarHBondContact O-N 2.83Å; S1328-T1331 CarbonylContact O-C 3.5Å; S1328-T1331 WeakPolarHBondContact O-CA 3.3Å; S1328-T1331 WeakPolarHBondContact O-CB 3.4Å; S1328-T1331 PolarHBondContact O-N 3.08Å; S1328-T1331 WeakPolarHBondContact OG-CB 3.32Å; S1328-T1331 PolarHBondContact OG-OG1 3.47Å; S1328-A1332 PolarHBondContact O-N 2.76Å |
| 1329 | I | 87.7 | Confident | 92.4 | Very high | 70 Ų | 70 | 45 Ų | 45 | 36% | 0.359 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -41.9 | -60.1 | -174.1 | -56 | 173.5 | 0 | 0 | 0 | 112.2 | T1331 A1332 D1333 E1346 | I1329-T1331 PolarHBondContact O-N 2.86Å; I1329-T1331 VanDerWaalsContact O-N 3.11Å; I1329-A1332 WeakPolarHBondContact O-CB 3.3Å; I1329-A1332 PolarHBondContact O-N 2.92Å; I1329-D1333 VanDerWaalsContact O-CG 3.26Å; I1329-D1333 PolarHBondContact O-N 3.33Å; I1329-E1346 HydrophobicContact CD1-CB 4.49Å; I1329-E1346 HydrophobicContact CD1-CG 3.94Å; I1329-E1346 HydrophobicContact CG1-CG 4.4Å |
| 1330 | G | 87.6 | Confident | 92.5 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67 | -17.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1308 S1328 | K1308-G1330 PolarHBondContact NZ-O 3.16Å; S1328-G1330 PolarHBondContact O-N 2.83Å |
| 1331 | T | 93.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84 | -38.8 | 170.8 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | L1300 I1302 A1327 S1328 I1329 Y1335 | L1300-T1331 HydrophobicContact CB-CG2 4.23Å; I1302-T1331 HydrophobicContact CB-CG2 4.23Å; I1302-T1331 HydrophobicContact CG1-CG2 4.35Å; I1302-T1331 PolarHBondContact N-OG1 3.15Å; I1302-T1331 VanDerWaalsContact N-OG1 3.09Å; I1302-T1331 PolarHBondContact O-OG1 3.23Å; A1327-T1331 HydrophobicContact CB-CG2 3.94Å; S1328-T1331 CarbonylContact O-C 3.5Å; S1328-T1331 WeakPolarHBondContact O-CA 3.3Å; S1328-T1331 WeakPolarHBondContact O-CB 3.4Å; S1328-T1331 PolarHBondContact O-N 3.08Å; S1328-T1331 WeakPolarHBondContact OG-CB 3.32Å; S1328-T1331 PolarHBondContact OG-OG1 3.47Å; I1329-T1331 PolarHBondContact O-N 2.86Å; I1329-T1331 VanDerWaalsContact O-N 3.11Å; T1331-Y1335 HydrophobicContact CG2-CD2 3.85Å; T1331-Y1335 HydrophobicContact CG2-CE2 3.62Å; T1331-Y1335 WeakPolarHBondContact O-CD2 3.42Å; T1331-Y1335 PolarHBondContact O-N 2.99Å |
| 1332 | A | 92.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1327 S1328 I1329 F1334 Y1335 S1336 I1342 P1344 | A1327-A1332 HydrophobicContact CB-CB 3.85Å; S1328-A1332 PolarHBondContact O-N 2.76Å; I1329-A1332 WeakPolarHBondContact O-CB 3.3Å; I1329-A1332 PolarHBondContact O-N 2.92Å; A1332-F1334 PolarHBondContact O-N 2.79Å; A1332-Y1335 PolarHBondContact O-N 2.88Å; A1332-S1336 VanDerWaalsContact O-CB 3.29Å; A1332-S1336 WeakPolarHBondContact O-CB 3.46Å; A1332-S1336 PolarHBondContact O-N 2.93Å; A1332-S1336 PolarHBondContact O-OG 2.95Å; A1332-I1342 HydrophobicContact CB-CG2 3.95Å; A1332-I1342 WeakPolarHBondContact O-CG2 3.5Å; A1332-P1344 HydrophobicContact CB-CB 3.81Å |
| 1333 | D | 92.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.1 | -51.2 | 179.2 | -64.1 | -22.6 | 0 | 0 | 0 | 111 | I1329 Y1335 S1336 E1337 | I1329-D1333 VanDerWaalsContact O-CG 3.26Å; I1329-D1333 PolarHBondContact O-N 3.33Å; D1333-Y1335 PolarHBondContact O-N 2.93Å; D1333-S1336 PolarHBondContact O-N 3.38Å; D1333-E1337 WeakPolarHBondContact O-CG 3.21Å; D1333-E1337 PolarHBondContact O-N 3.17Å |
| 1334 | F | 95.7 | Very high | 93.1 | Very high | 14 Ų | 14 | 47 Ų | 47 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.4 | -45.9 | -180 | 176.7 | -90.4 | 0 | 0 | 0 | 112.6 | F1305 K1308 A1332 H1338 | F1305-F1334 HydrophobicContact CD2-CD2 4.23Å; F1305-F1334 AromaticContact CD2-CE2 3.9Å; F1305-F1334 HydrophobicContact CD2-CE2 3.9Å; F1305-F1334 HydrophobicContact CE2-CD2 4.03Å; F1305-F1334 AromaticContact CE2-CE2 3.46Å; F1305-F1334 HydrophobicContact CE2-CE2 3.46Å; F1305-F1334 VanDerWaalsContact CE2-CE2 3.46Å; F1305-F1334 HydrophobicContact CZ-CE2 4.1Å; K1308-F1334 HydrophobicContact CB-CD1 3.65Å; K1308-F1334 HydrophobicContact CB-CD2 4.46Å; K1308-F1334 HydrophobicContact CB-CE1 3.53Å; K1308-F1334 HydrophobicContact CB-CE2 4.35Å; K1308-F1334 HydrophobicContact CB-CG 4.13Å; K1308-F1334 HydrophobicContact CB-CZ 3.9Å; K1308-F1334 HydrophobicContact CD-CB 3.88Å; K1308-F1334 HydrophobicContact CD-CD1 4Å; K1308-F1334 HydrophobicContact CD-CD2 4.19Å; K1308-F1334 HydrophobicContact CD-CG 3.74Å; K1308-F1334 HydrophobicContact CG-CD1 4.28Å; K1308-F1334 HydrophobicContact CG-CG 4.49Å; A1332-F1334 PolarHBondContact O-N 2.79Å; F1334-H1338 AromaticContact CE2-CE1 3.52Å; F1334-H1338 AromaticContact CZ-CE1 3.54Å; F1334-H1338 AromaticContact CZ-ND1 3.99Å; F1334-H1338 PolarHBondContact O-N 2.89Å; F1334-H1338 PolarHBondContact O-ND1 3.2Å |
| 1335 | Y | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -78.4 | -29.5 | -178.2 | -70.6 | -56.6 | 0 | 0 | 0 | 113.3 | I1302 K1308 M1311 L1312 V1315 T1331 A1332 D1333 H1338 G1339 I1340 | I1302-Y1335 HydrophobicContact CD1-CE2 4.02Å; I1302-Y1335 VanDerWaalsContact CD1-OH 3.24Å; I1302-Y1335 WeakPolarHBondContact CD1-OH 3.43Å; K1308-Y1335 WeakPolarHBondContact CA-OH 3.35Å; K1308-Y1335 WeakPolarHBondContact O-CE1 3.05Å; K1308-Y1335 PolarHBondContact O-OH 3.44Å; K1308-Y1335 VanDerWaalsContact O-OH 3.06Å; M1311-Y1335 WeakPolarHBondContact CB-OH 3.37Å; L1312-Y1335 HydrophobicContact CB-CE1 4.39Å; L1312-Y1335 HydrophobicContact CD1-CD1 3.66Å; L1312-Y1335 HydrophobicContact CD1-CE1 3.81Å; V1315-Y1335 HydrophobicContact CB-CD1 4.36Å; V1315-Y1335 HydrophobicContact CB-CE1 4.12Å; V1315-Y1335 HydrophobicContact CG1-CD1 4.17Å; V1315-Y1335 HydrophobicContact CG1-CD2 4.21Å; V1315-Y1335 HydrophobicContact CG1-CE1 4.36Å; V1315-Y1335 HydrophobicContact CG1-CE2 4.37Å; V1315-Y1335 HydrophobicContact CG1-CG 4.1Å; V1315-Y1335 HydrophobicContact CG2-CE1 4Å; V1315-Y1335 HydrophobicContact CG2-CE2 3.97Å; T1331-Y1335 HydrophobicContact CG2-CD2 3.85Å; T1331-Y1335 HydrophobicContact CG2-CE2 3.62Å; T1331-Y1335 WeakPolarHBondContact O-CD2 3.42Å; T1331-Y1335 PolarHBondContact O-N 2.99Å; A1332-Y1335 PolarHBondContact O-N 2.88Å; D1333-Y1335 PolarHBondContact O-N 2.93Å; Y1335-H1338 CarbonylContact O-C 3.58Å; Y1335-H1338 WeakPolarHBondContact O-CA 3.25Å; Y1335-H1338 PolarHBondContact O-N 3.44Å; Y1335-H1338 VanDerWaalsContact O-N 3.09Å; Y1335-G1339 PolarHBondContact O-N 3.4Å; Y1335-I1340 HydrophobicContact CD1-CD1 3.97Å; Y1335-I1340 HydrophobicContact CG-CD1 4.45Å; Y1335-I1340 WeakPolarHBondContact O-CB 3.29Å; Y1335-I1340 PolarHBondContact O-N 3.31Å |
| 1336 | S | 92.6 | Very high | 92.1 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 173 | -59 | 0 | 0 | 0 | 0 | 111 | A1332 D1333 H1338 G1339 I1340 I1342 | A1332-S1336 VanDerWaalsContact O-CB 3.29Å; A1332-S1336 WeakPolarHBondContact O-CB 3.46Å; A1332-S1336 PolarHBondContact O-N 2.93Å; A1332-S1336 PolarHBondContact O-OG 2.95Å; D1333-S1336 PolarHBondContact O-N 3.38Å; S1336-H1338 PolarHBondContact O-N 3.47Å; S1336-G1339 PolarHBondContact O-N 2.95Å; S1336-I1340 WeakPolarHBondContact CA-O 3.44Å; S1336-I1342 WeakPolarHBondContact OG-CG2 3.42Å |
| 1337 | E | 92.5 | Very high | 90.7 | Very high | 157 Ų | 157 | 49.2 Ų | 49.2 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.5 | -26.1 | 171.4 | -73.8 | 176.8 | 178.5 | 0 | 0 | 112.9 | D1333 G1339 | D1333-E1337 WeakPolarHBondContact O-CG 3.21Å; D1333-E1337 PolarHBondContact O-N 3.17Å; E1337-G1339 VanDerWaalsContact C-N 3.34Å |
| 1338 | H | 92.9 | Very high | 89.1 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 15.5 | 175.8 | -69.4 | 77.4 | 0 | 0 | 0 | 113.7 | L1312 R1316 F1334 Y1335 S1336 | L1312-H1338 HydrophobicContact CD1-CB 3.76Å; R1316-H1338 PolarHBondContact NH2-O 3.01Å; F1334-H1338 AromaticContact CE2-CE1 3.52Å; F1334-H1338 AromaticContact CZ-CE1 3.54Å; F1334-H1338 AromaticContact CZ-ND1 3.99Å; F1334-H1338 PolarHBondContact O-N 2.89Å; F1334-H1338 PolarHBondContact O-ND1 3.2Å; Y1335-H1338 CarbonylContact O-C 3.58Å; Y1335-H1338 WeakPolarHBondContact O-CA 3.25Å; Y1335-H1338 PolarHBondContact O-N 3.44Å; Y1335-H1338 VanDerWaalsContact O-N 3.09Å; S1336-H1338 PolarHBondContact O-N 3.47Å |
| 1339 | G | 91.1 | Very high | 87.4 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 75% | 0.753 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 19.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1335 S1336 E1337 | Y1335-G1339 PolarHBondContact O-N 3.4Å; S1336-G1339 PolarHBondContact O-N 2.95Å; E1337-G1339 VanDerWaalsContact C-N 3.34Å |
| 1340 | I | 94.1 | Very high | 85.2 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | trans | -105.9 | 120.3 | 179 | -48.9 | 174.1 | 0 | 0 | 0 | 109 | L1312 V1315 R1316 L1325 Y1335 S1336 I1342 | L1312-I1340 HydrophobicContact CD1-CD1 3.92Å; V1315-I1340 HydrophobicContact CB-CD1 4.18Å; V1315-I1340 HydrophobicContact CG1-CD1 3.84Å; V1315-I1340 HydrophobicContact CG1-CG2 4.21Å; R1316-I1340 HydrophobicContact CB-CD1 4.47Å; R1316-I1340 HydrophobicContact CG-CD1 3.46Å; R1316-I1340 VanDerWaalsContact CG-CD1 3.46Å; R1316-I1340 HydrophobicContact CG-CG1 3.87Å; L1325-I1340 HydrophobicContact CD1-CG2 4.29Å; Y1335-I1340 HydrophobicContact CD1-CD1 3.97Å; Y1335-I1340 HydrophobicContact CG-CD1 4.45Å; Y1335-I1340 WeakPolarHBondContact O-CB 3.29Å; Y1335-I1340 PolarHBondContact O-N 3.31Å; S1336-I1340 WeakPolarHBondContact CA-O 3.44Å; I1340-I1342 PolarHBondContact O-N 2.92Å | ||
| 1341 | S | 91 | Very high | 82.8 | Confident | 107 Ų | 107 | 67 Ų | 67 | 75% | 0.748 | 37% | 0.367 | S | S | * | . | trans | -69.6 | 116.9 | 176 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1342 | I | 94.6 | Very high | 80.2 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.046 | 41% | 0.406 | C | S | . | . | trans | -143.9 | 134.4 | -179.4 | -172 | 161.5 | 0 | 0 | 0 | 110.1 | L1300 L1325 A1327 A1332 S1336 I1340 P1344 | L1300-I1342 HydrophobicContact CD1-CD1 3.8Å; L1325-I1342 HydrophobicContact CB-CB 4.27Å; L1325-I1342 HydrophobicContact CB-CD1 3.89Å; L1325-I1342 HydrophobicContact CB-CG1 3.74Å; A1327-I1342 HydrophobicContact CB-CD1 3.33Å; A1327-I1342 HydrophobicContact CB-CG1 3.76Å; A1332-I1342 HydrophobicContact CB-CG2 3.95Å; A1332-I1342 WeakPolarHBondContact O-CG2 3.5Å; S1336-I1342 WeakPolarHBondContact OG-CG2 3.42Å; I1340-I1342 PolarHBondContact O-N 2.92Å; I1342-P1344 WeakPolarHBondContact O-CD 3.49Å | ||
| 1343 | T | 93.6 | Very high | 77.4 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120 | -176.4 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | L1325 F1326 A1327 | L1325-T1343 PolarHBondContact O-N 2.95Å; F1326-T1343 CarbonylContact C-O 3.49Å; F1326-T1343 VanDerWaalsContact CA-O 3.29Å; F1326-T1343 WeakPolarHBondContact CA-O 3.21Å; F1326-T1343 HydrophobicContact CD1-CG2 3.88Å; F1326-T1343 HydrophobicContact CE1-CG2 3.86Å; A1327-T1343 PolarHBondContact N-O 3.01Å |
| 1344 | P | 92.3 | Very high | 74.4 | Confident | 76 Ų | 76 | 73 Ų | 73 | 49% | 0.494 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 143.7 | 176.1 | 29.4 | -33.8 | 0 | 0 | 0 | 111.5 | A1327 A1332 I1342 | A1327-P1344 CarbonylContact O-C 3.39Å; A1327-P1344 WeakPolarHBondContact O-CA 3.45Å; A1332-P1344 HydrophobicContact CB-CB 3.81Å; I1342-P1344 WeakPolarHBondContact O-CD 3.49Å |
| 1345 | V | 88.5 | Confident | 71.5 | Confident | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.036 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137 | 176.4 | -166 | 0 | 0 | 0 | 0 | 109.8 | F1299 F1326 A1327 K1365 I1367 Y1370 F1376 | F1299-V1345 HydrophobicContact CE2-CB 4.43Å; F1326-V1345 HydrophobicContact CB-CG2 4.07Å; F1326-V1345 HydrophobicContact CD1-CG2 3.71Å; F1326-V1345 HydrophobicContact CG-CG2 4.36Å; A1327-V1345 PolarHBondContact O-N 3.42Å; V1345-K1365 WeakPolarHBondContact CG1-O 3.5Å; V1345-I1367 HydrophobicContact CB-CG1 3.96Å; V1345-I1367 HydrophobicContact CG1-CG1 3.66Å; V1345-Y1370 HydrophobicContact CG1-CD2 3.74Å; V1345-Y1370 HydrophobicContact CG1-CE2 3.7Å; V1345-Y1370 HydrophobicContact CG2-CE2 4.25Å; V1345-F1376 HydrophobicContact CG2-CZ 4.43Å |
| 1346 | E | 81 | Confident | 68.7 | Low | 116 Ų | 116 | 81.5 Ų | 81.5 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | trans | -88 | 156.6 | -175.8 | -51.4 | -162.6 | 150.3 | 0 | 0 | 113.7 | I1329 I1367 | I1329-E1346 HydrophobicContact CD1-CB 4.49Å; I1329-E1346 HydrophobicContact CD1-CG 3.94Å; I1329-E1346 HydrophobicContact CG1-CG 4.4Å; E1346-I1367 WeakPolarHBondContact O-CG1 3.38Å; E1346-I1367 PolarHBondContact O-N 3.34Å | ||
| 1347 | W | 67.9 | Low | 66.1 | Low | 65 Ų | 65 | 87.4 Ų | 87.4 | 25% | 0.246 | 52% | 0.521 | C | S | . | . | trans | -83.9 | 137.4 | 169.5 | -63.2 | 107.3 | 0 | 0 | 0 | 109.9 | F1349 I1367 P1398 T1402 | W1347-F1349 PolarHBondContact O-N 2.85Å; W1347-I1367 HydrophobicContact CD2-CD1 3.56Å; W1347-I1367 HydrophobicContact CE3-CB 4.29Å; W1347-I1367 HydrophobicContact CE3-CD1 3.46Å; W1347-I1367 VanDerWaalsContact CE3-CD1 3.46Å; W1347-I1367 HydrophobicContact CE3-CG1 4.46Å; W1347-I1367 HydrophobicContact CE3-CG2 4.45Å; W1347-I1367 HydrophobicContact CG-CD1 4.26Å; W1347-I1367 HydrophobicContact CH2-CD1 3.61Å; W1347-I1367 HydrophobicContact CH2-CG2 4.47Å; W1347-I1367 HydrophobicContact CZ2-CD1 3.78Å; W1347-I1367 HydrophobicContact CZ3-CB 4.18Å; W1347-I1367 HydrophobicContact CZ3-CD1 3.46Å; W1347-I1367 VanDerWaalsContact CZ3-CD1 3.46Å; W1347-I1367 HydrophobicContact CZ3-CG1 4.4Å; W1347-I1367 HydrophobicContact CZ3-CG2 3.86Å; W1347-P1398 HydrophobicContact CD2-CB 3.5Å; W1347-P1398 HydrophobicContact CE3-CB 3.67Å; W1347-P1398 HydrophobicContact CG-CB 3.92Å; W1347-P1398 HydrophobicContact CH2-CB 4.49Å; W1347-P1398 HydrophobicContact CZ2-CB 4.31Å; W1347-P1398 HydrophobicContact CZ3-CB 4.19Å; W1347-T1402 HydrophobicContact CH2-CG2 3.94Å; W1347-T1402 WeakPolarHBondContact CH2-OG1 3.48Å; W1347-T1402 HydrophobicContact CZ3-CG2 3.94Å; W1347-T1402 WeakPolarHBondContact CZ3-OG1 2.91Å | ||
| 1348 | P | 60.9 | Low | 63.5 | Low | 61 Ų | 61 | 88.1 Ų | 88.1 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -75.9 | -0.6 | 179.6 | 28.8 | -32.1 | 0 | 0 | 0 | 114.5 | A1368 | P1348-A1368 HydrophobicContact CG-CB 3.98Š|
| 1349 | F | 54.7 | Low | 60.8 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | trans | -112.7 | 28.5 | -161.2 | -57.2 | -63.3 | 0 | 0 | 0 | 115.6 | W1347 E1351 R1401 | W1347-F1349 PolarHBondContact O-N 2.85Å; F1349-E1351 PolarHBondContact O-N 2.96Å; F1349-R1401 VanDerWaalsContact CE1-NH1 3.29Å; F1349-R1401 HydrophobicContact CE2-CB 4.2Å; F1349-R1401 VanDerWaalsContact CE2-CD 3.41Å; F1349-R1401 HydrophobicContact CE2-CG 4.44Å | ||
| 1350 | E | 43.3 | Very low | 58.1 | Low | 159 Ų | 159 | 93.9 Ų | 93.9 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | trans | -70.7 | 82.4 | 170.5 | -72.4 | -164.6 | 167.9 | 0 | 0 | 111.1 | G1352 G1353 | E1350-G1352 PolarHBondContact O-N 2.98Å; E1350-G1353 PolarHBondContact O-N 2.93Å | ||
| 1351 | E | 37.1 | Very low | 55.3 | Low | 191 Ų | 191 | 96.9 Ų | 96.9 | 89% | 0.893 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 97.4 | 163.7 | -79.2 | 179.1 | 178.6 | 0 | 0 | 108.8 | F1349 | F1349-E1351 PolarHBondContact O-N 2.96Š|
| 1352 | G | 37.9 | Very low | 52.9 | Low | 81 Ų | 81 | 99.7 Ų | 99.7 | 84% | 0.835 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.9 | -14.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1350 G1354 | E1350-G1352 PolarHBondContact O-N 2.98Å; G1352-G1354 PolarHBondContact O-N 3.04Å |
| 1353 | G | 33.1 | Very low | 50.4 | Low | 42 Ų | 42 | 110 Ų | 110 | 43% | 0.433 | 60% | 0.603 | S | S | . | * | trans | -86.8 | 92.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | E1350 L1355 | E1350-G1353 PolarHBondContact O-N 2.93Å; G1353-L1355 PolarHBondContact O-N 3.17Å | ||
| 1354 | G | 31.2 | Very low | 48.3 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 90% | 0.897 | 62% | 0.616 | S | S | * | * | trans | -65.8 | 60.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1352 S1356 | G1352-G1354 PolarHBondContact O-N 3.04Å; G1354-S1356 PolarHBondContact O-N 2.94Å | ||
| 1355 | L | 34.9 | Very low | 46.8 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | trans | -82.4 | 102.4 | 174.7 | -71.2 | 166.8 | 0 | 0 | 0 | 107 | G1353 K1359 | G1353-L1355 PolarHBondContact O-N 3.17Å; L1355-K1359 HydrophobicContact CD2-CD 4.29Å | ||
| 1356 | S | 37.4 | Very low | 46.4 | Very low | 71 Ų | 71 | 113 Ų | 113 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | trans | -39 | 140.3 | 170 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | G1354 E1358 K1359 | G1354-S1356 PolarHBondContact O-N 2.94Å; S1356-E1358 PolarHBondContact O-N 3.48Å; S1356-K1359 PolarHBondContact O-N 2.88Å | ||
| 1357 | E | 37 | Very low | 46.5 | Very low | 181 Ų | 181 | 107.6 Ų | 107.6 | 85% | 0.846 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -44.4 | -25.5 | 179.8 | -72.6 | 177.8 | 148.4 | 0 | 0 | 114.4 | K1359 T1360 | E1357-K1359 PolarHBondContact O-N 3.37Å; E1357-T1360 PolarHBondContact O-N 3.3Å; E1357-T1360 PolarHBondContact O-OG1 3.24Å |
| 1358 | E | 38.6 | Very low | 47.1 | Very low | 173 Ų | 173 | 105.2 Ų | 105.2 | 81% | 0.808 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -66.9 | -23.1 | 177.8 | -69.3 | -174.6 | 156.4 | 0 | 0 | 115.4 | S1356 | S1356-E1358 PolarHBondContact O-N 3.48Š|
| 1359 | K | 36.6 | Very low | 48.1 | Very low | 156 Ų | 156 | 105.8 Ų | 105.8 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -91.9 | -12.4 | 177.8 | -81.9 | -169.3 | 176.2 | -177.4 | 0 | 114.8 | L1355 S1356 E1357 A1361 | L1355-K1359 HydrophobicContact CD2-CD 4.29Å; S1356-K1359 PolarHBondContact O-N 2.88Å; E1357-K1359 PolarHBondContact O-N 3.37Å; K1359-A1361 PolarHBondContact O-N 2.87Å |
| 1360 | T | 34.9 | Very low | 49.6 | Very low | 111 Ų | 111 | 103.6 Ų | 103.6 | 68% | 0.681 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -72.7 | -5.3 | 168 | 14.9 | 0 | 0 | 0 | 0 | 113.5 | E1357 H1362 | E1357-T1360 PolarHBondContact O-N 3.3Å; E1357-T1360 PolarHBondContact O-OG1 3.24Å; T1360-H1362 VanDerWaalsContact C-N 3.29Å; T1360-H1362 PolarHBondContact O-N 3.15Å |
| 1361 | A | 35.6 | Very low | 51.7 | Low | 69 Ų | 69 | 96 Ų | 96 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -71.5 | -16.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1359 Y1363 | K1359-A1361 PolarHBondContact O-N 2.87Å; A1361-Y1363 PolarHBondContact O-N 3.38Å |
| 1362 | H | 40 | Very low | 53.8 | Low | 167 Ų | 167 | 89.1 Ų | 89.1 | 77% | 0.773 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -87 | 97.3 | 165.7 | -74.3 | -69.3 | 0 | 0 | 0 | 108.5 | T1360 C1364 | T1360-H1362 VanDerWaalsContact C-N 3.29Å; T1360-H1362 PolarHBondContact O-N 3.15Å; H1362-C1364 PolarHBondContact O-N 2.72Å |
| 1363 | Y | 41.5 | Very low | 55.9 | Low | 225 Ų | 225 | 89 Ų | 89 | 88% | 0.882 | 50% | 0.495 | S | S | * | . | trans | -50.2 | 62.9 | 179.1 | -78.5 | -98.5 | 0 | 0 | 0 | 115.5 | A1361 K1365 | A1361-Y1363 PolarHBondContact O-N 3.38Å; Y1363-K1365 PolarHBondContact O-N 3.37Å | ||
| 1364 | C | 49.6 | Very low | 58.3 | Low | 103 Ų | 103 | 91.6 Ų | 91.6 | 70% | 0.696 | 49% | 0.494 | S | S | * | . | trans | -82.4 | 105.8 | 164.2 | -72.6 | 0 | 0 | 0 | 0 | 107.9 | H1362 S1366 | H1362-C1364 PolarHBondContact O-N 2.72Å; C1364-S1366 PolarHBondContact O-N 3.03Å | ||
| 1365 | K | 61 | Low | 61.1 | Low | 98 Ų | 98 | 90.5 Ų | 90.5 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | trans | -59 | 133.6 | 172.6 | -71.9 | -178.3 | -177.8 | 175.1 | 0 | 109.4 | V1345 Y1363 D1369 Y1370 | V1345-K1365 WeakPolarHBondContact CG1-O 3.5Å; Y1363-K1365 PolarHBondContact O-N 3.37Å; K1365-D1369 HydrophobicContact CB-CB 4.11Å; K1365-D1369 HydrophobicContact CG-CB 4.49Å; K1365-Y1370 HydrophobicContact CB-CD2 3.94Å; K1365-Y1370 HydrophobicContact CB-CE2 3.48Å; K1365-Y1370 VanDerWaalsContact CB-CE2 3.48Å; K1365-Y1370 HydrophobicContact CD-CE2 4.47Å; K1365-Y1370 WeakPolarHBondContact O-CE2 3.08Å | ||
| 1366 | S | 79.9 | Confident | 63.8 | Low | 15 Ų | 15 | 84.8 Ų | 84.8 | 11% | 0.105 | 44% | 0.436 | C | S | . | . | trans | -76.6 | 163.1 | 175.6 | 73.6 | 0 | 0 | 0 | 0 | 111.5 | C1364 A1368 D1369 Y1370 | C1364-S1366 PolarHBondContact O-N 3.03Å; S1366-A1368 PolarHBondContact O-N 2.86Å; S1366-A1368 VanDerWaalsContact O-N 3.16Å; S1366-A1368 PolarHBondContact OG-N 3.2Å; S1366-D1369 WeakPolarHBondContact CB-OD2 3.32Å; S1366-D1369 PolarHBondContact N-OD2 3.41Å; S1366-D1369 WeakPolarHBondContact O-CB 3.47Å; S1366-D1369 PolarHBondContact O-N 2.91Å; S1366-D1369 PolarHBondContact OG-N 3.36Å; S1366-D1369 PolarHBondContact OG-OD2 2.94Å; S1366-Y1370 WeakPolarHBondContact O-CD2 3.39Å; S1366-Y1370 PolarHBondContact O-N 3.17Å; S1366-Y1370 VanDerWaalsContact O-N 3.15Å | ||
| 1367 | I | 83.1 | Confident | 66.5 | Low | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -53.3 | -36.7 | 174 | -69.2 | 161.5 | 0 | 0 | 0 | 111.8 | F1299 V1345 E1346 W1347 D1369 Y1370 L1371 F1376 T1402 | F1299-I1367 HydrophobicContact CE1-CD1 4.41Å; F1299-I1367 HydrophobicContact CE1-CG2 4.24Å; F1299-I1367 HydrophobicContact CE2-CD1 4.02Å; F1299-I1367 HydrophobicContact CE2-CG1 3.9Å; F1299-I1367 HydrophobicContact CZ-CD1 3.49Å; F1299-I1367 VanDerWaalsContact CZ-CD1 3.49Å; F1299-I1367 HydrophobicContact CZ-CG1 3.75Å; F1299-I1367 HydrophobicContact CZ-CG2 4.2Å; V1345-I1367 HydrophobicContact CB-CG1 3.96Å; V1345-I1367 HydrophobicContact CG1-CG1 3.66Å; E1346-I1367 WeakPolarHBondContact O-CG1 3.38Å; E1346-I1367 PolarHBondContact O-N 3.34Å; W1347-I1367 HydrophobicContact CD2-CD1 3.56Å; W1347-I1367 HydrophobicContact CE3-CB 4.29Å; W1347-I1367 HydrophobicContact CE3-CD1 3.46Å; W1347-I1367 VanDerWaalsContact CE3-CD1 3.46Å; W1347-I1367 HydrophobicContact CE3-CG1 4.46Å; W1347-I1367 HydrophobicContact CE3-CG2 4.45Å; W1347-I1367 HydrophobicContact CG-CD1 4.26Å; W1347-I1367 HydrophobicContact CH2-CD1 3.61Å; W1347-I1367 HydrophobicContact CH2-CG2 4.47Å; W1347-I1367 HydrophobicContact CZ2-CD1 3.78Å; W1347-I1367 HydrophobicContact CZ3-CB 4.18Å; W1347-I1367 HydrophobicContact CZ3-CD1 3.46Å; W1347-I1367 VanDerWaalsContact CZ3-CD1 3.46Å; W1347-I1367 HydrophobicContact CZ3-CG1 4.4Å; W1347-I1367 HydrophobicContact CZ3-CG2 3.86Å; I1367-D1369 VanDerWaalsContact C-N 3.33Å; I1367-D1369 PolarHBondContact O-N 3.48Å; I1367-Y1370 PolarHBondContact O-N 3.31Å; I1367-L1371 HydrophobicContact CG2-CD1 3.93Å; I1367-L1371 HydrophobicContact CG2-CG 4.46Å; I1367-L1371 WeakPolarHBondContact O-CG 3.4Å; I1367-L1371 PolarHBondContact O-N 2.93Å; I1367-L1371 VanDerWaalsContact O-N 3.07Å; I1367-F1376 HydrophobicContact CG2-CE2 4.36Å; I1367-T1402 HydrophobicContact CG2-CG2 3.69Å |
| 1368 | A | 80.6 | Confident | 69.3 | Low | 15 Ų | 15 | 75.8 Ų | 75.8 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1348 S1366 S1372 | P1348-A1368 HydrophobicContact CG-CB 3.98Å; S1366-A1368 PolarHBondContact O-N 2.86Å; S1366-A1368 VanDerWaalsContact O-N 3.16Å; S1366-A1368 PolarHBondContact OG-N 3.2Å; A1368-S1372 WeakPolarHBondContact O-CB 3.2Å; A1368-S1372 PolarHBondContact O-N 3.03Å; A1368-S1372 PolarHBondContact O-OG 2.97Å |
| 1369 | D | 82.5 | Confident | 72 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.6 | -57.4 | -44.4 | 0 | 0 | 0 | 111.3 | K1365 S1366 I1367 S1372 T1373 | K1365-D1369 HydrophobicContact CB-CB 4.11Å; K1365-D1369 HydrophobicContact CG-CB 4.49Å; S1366-D1369 WeakPolarHBondContact CB-OD2 3.32Å; S1366-D1369 PolarHBondContact N-OD2 3.41Å; S1366-D1369 WeakPolarHBondContact O-CB 3.47Å; S1366-D1369 PolarHBondContact O-N 2.91Å; S1366-D1369 PolarHBondContact OG-N 3.36Å; S1366-D1369 PolarHBondContact OG-OD2 2.94Å; I1367-D1369 VanDerWaalsContact C-N 3.33Å; I1367-D1369 PolarHBondContact O-N 3.48Å; D1369-S1372 WeakPolarHBondContact CA-OG 3.42Å; D1369-S1372 PolarHBondContact O-OG 2.62Å; D1369-S1372 VanDerWaalsContact O-OG 3.11Å; D1369-T1373 WeakPolarHBondContact O-CB 3.38Å; D1369-T1373 WeakPolarHBondContact O-CG2 3.12Å; D1369-T1373 PolarHBondContact O-N 2.97Å; D1369-T1373 VanDerWaalsContact O-N 3.1Å; D1369-T1373 PolarHBondContact O-OG1 3.05Å |
| 1370 | Y | 86.5 | Confident | 74.9 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176 | -80.7 | -84.4 | 0 | 0 | 0 | 112.5 | F1326 V1345 K1365 S1366 I1367 T1373 K1374 Q1375 F1376 | F1326-Y1370 HydrophobicContact CD1-CE1 4.48Å; F1326-Y1370 AromaticContact CE1-CE1 3.99Å; F1326-Y1370 HydrophobicContact CE1-CE1 3.99Å; F1326-Y1370 HydrophobicContact CZ-CE1 4.35Å; V1345-Y1370 HydrophobicContact CG1-CD2 3.74Å; V1345-Y1370 HydrophobicContact CG1-CE2 3.7Å; V1345-Y1370 HydrophobicContact CG2-CE2 4.25Å; K1365-Y1370 HydrophobicContact CB-CD2 3.94Å; K1365-Y1370 HydrophobicContact CB-CE2 3.48Å; K1365-Y1370 VanDerWaalsContact CB-CE2 3.48Å; K1365-Y1370 HydrophobicContact CD-CE2 4.47Å; K1365-Y1370 WeakPolarHBondContact O-CE2 3.08Å; S1366-Y1370 WeakPolarHBondContact O-CD2 3.39Å; S1366-Y1370 PolarHBondContact O-N 3.17Å; S1366-Y1370 VanDerWaalsContact O-N 3.15Å; I1367-Y1370 PolarHBondContact O-N 3.31Å; Y1370-T1373 PolarHBondContact O-OG1 3.31Å; Y1370-K1374 PolarHBondContact O-N 3.44Å; Y1370-Q1375 HydrophobicContact CD1-CB 3.64Å; Y1370-Q1375 HydrophobicContact CD1-CG 4.48Å; Y1370-Q1375 HydrophobicContact CE1-CB 4.39Å; Y1370-Q1375 VanDerWaalsContact CE1-OE1 3.31Å; Y1370-Q1375 PolarHBondContact O-N 3.45Å; Y1370-F1376 HydrophobicContact CD1-CD1 4.15Å; Y1370-F1376 AromaticContact CD1-CE1 3.54Å; Y1370-F1376 HydrophobicContact CD1-CE1 3.54Å; Y1370-F1376 AromaticContact CD1-CZ 3.85Å; Y1370-F1376 HydrophobicContact CD1-CZ 3.85Å; Y1370-F1376 HydrophobicContact CD2-CE1 4.37Å; Y1370-F1376 AromaticContact CD2-CZ 3.87Å; Y1370-F1376 HydrophobicContact CD2-CZ 3.87Å; Y1370-F1376 HydrophobicContact CE1-CE1 4.27Å; Y1370-F1376 HydrophobicContact CG-CD1 4.38Å; Y1370-F1376 AromaticContact CG-CE1 3.63Å; Y1370-F1376 HydrophobicContact CG-CE1 3.63Å; Y1370-F1376 AromaticContact CG-CE2 3.99Å; Y1370-F1376 HydrophobicContact CG-CE2 3.99Å; Y1370-F1376 AromaticContact CG-CZ 3.4Å; Y1370-F1376 HydrophobicContact CG-CZ 3.4Å; Y1370-F1376 VanDerWaalsContact CG-CZ 3.4Å |
| 1371 | L | 86.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -48.4 | 178 | -70.1 | 169.7 | 0 | 0 | 0 | 111.7 | I1367 T1373 K1374 F1376 V1379 T1402 Q1405 A1406 Y1409 I1411 | I1367-L1371 HydrophobicContact CG2-CD1 3.93Å; I1367-L1371 HydrophobicContact CG2-CG 4.46Å; I1367-L1371 WeakPolarHBondContact O-CG 3.4Å; I1367-L1371 PolarHBondContact O-N 2.93Å; I1367-L1371 VanDerWaalsContact O-N 3.07Å; L1371-T1373 PolarHBondContact O-N 2.78Å; L1371-K1374 PolarHBondContact O-N 2.9Å; L1371-F1376 HydrophobicContact CD2-CD2 3.83Å; L1371-F1376 HydrophobicContact CG-CD2 4.06Å; L1371-V1379 HydrophobicContact CD2-CG2 3.79Å; L1371-T1402 HydrophobicContact CD1-CG2 3.84Å; L1371-Q1405 HydrophobicContact CD1-CB 3.73Å; L1371-A1406 HydrophobicContact CD2-CB 4.24Å; L1371-Y1409 HydrophobicContact CB-CD2 4.13Å; L1371-I1411 HydrophobicContact CB-CD1 4.3Å; L1371-I1411 HydrophobicContact CD2-CD1 3.63Å; L1371-I1411 WeakPolarHBondContact O-CD1 3.27Å |
| 1372 | S | 80.2 | Confident | 80.4 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -29.1 | -179.4 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | A1368 D1369 Y1409 | A1368-S1372 WeakPolarHBondContact O-CB 3.2Å; A1368-S1372 PolarHBondContact O-N 3.03Å; A1368-S1372 PolarHBondContact O-OG 2.97Å; D1369-S1372 WeakPolarHBondContact CA-OG 3.42Å; D1369-S1372 PolarHBondContact O-OG 2.62Å; D1369-S1372 VanDerWaalsContact O-OG 3.11Å; S1372-Y1409 WeakPolarHBondContact CB-OH 3.14Å |
| 1373 | T | 82.2 | Confident | 82.4 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 49% | 0.485 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7.6 | 174 | 59 | 0 | 0 | 0 | 0 | 114.1 | D1369 Y1370 L1371 Q1375 | D1369-T1373 WeakPolarHBondContact O-CB 3.38Å; D1369-T1373 WeakPolarHBondContact O-CG2 3.12Å; D1369-T1373 PolarHBondContact O-N 2.97Å; D1369-T1373 VanDerWaalsContact O-N 3.1Å; D1369-T1373 PolarHBondContact O-OG1 3.05Å; Y1370-T1373 PolarHBondContact O-OG1 3.31Å; L1371-T1373 PolarHBondContact O-N 2.78Å; T1373-Q1375 PolarHBondContact O-N 2.96Å; T1373-Q1375 VanDerWaalsContact O-N 3.13Å; T1373-Q1375 WeakPolarHBondContact OG1-CG 3.42Å; T1373-Q1375 PolarHBondContact OG1-NE2 2.65Å |
| 1374 | K | 84.1 | Confident | 83.8 | Confident | 95 Ų | 95 | 39.5 Ų | 39.5 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 34.5 | -176.9 | -60 | -167.2 | -179.7 | -157.2 | 0 | 114.3 | S558 Y1370 L1371 F1376 Y1409 | S558-K1374 WeakPolarHBondContact O-CE 3.43Å; S558-K1374 PolarHBondContact O-NZ 3.17Å; Y1370-K1374 PolarHBondContact O-N 3.44Å; L1371-K1374 PolarHBondContact O-N 2.9Å; K1374-F1376 VanDerWaalsContact C-N 3.3Å; K1374-Y1409 WeakPolarHBondContact CE-O 3.38Å; K1374-Y1409 PolarHBondContact NZ-O 3.16Å |
| 1375 | Q | 89.3 | Confident | 84.3 | Confident | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | trans | -78.3 | -16.7 | 176.3 | -77.6 | 176.4 | 47.9 | 0 | 0 | 112.6 | T1297 Y1370 T1373 | T1297-Q1375 WeakPolarHBondContact CB-O 3.41Å; T1297-Q1375 PolarHBondContact OG1-O 3.04Å; Y1370-Q1375 HydrophobicContact CD1-CB 3.64Å; Y1370-Q1375 HydrophobicContact CD1-CG 4.48Å; Y1370-Q1375 HydrophobicContact CE1-CB 4.39Å; Y1370-Q1375 VanDerWaalsContact CE1-OE1 3.31Å; Y1370-Q1375 PolarHBondContact O-N 3.45Å; T1373-Q1375 PolarHBondContact O-N 2.96Å; T1373-Q1375 VanDerWaalsContact O-N 3.13Å; T1373-Q1375 WeakPolarHBondContact OG1-CG 3.42Å; T1373-Q1375 PolarHBondContact OG1-NE2 2.65Å | ||
| 1376 | F | 93.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | trans | -94.5 | 126.6 | 165.7 | -59.5 | -30.9 | 0 | 0 | 0 | 109.5 | F1299 F1326 V1345 I1367 Y1370 L1371 K1374 V1379 I1411 | F1299-F1376 HydrophobicContact CB-CB 4.29Å; F1299-F1376 HydrophobicContact CB-CD1 3.85Å; F1299-F1376 HydrophobicContact CB-CD2 3.59Å; F1299-F1376 HydrophobicContact CB-CE1 4Å; F1299-F1376 HydrophobicContact CB-CE2 3.74Å; F1299-F1376 HydrophobicContact CB-CG 3.65Å; F1299-F1376 HydrophobicContact CB-CZ 3.95Å; F1299-F1376 HydrophobicContact CD1-CD2 4.4Å; F1299-F1376 HydrophobicContact CD1-CE2 4.18Å; F1299-F1376 HydrophobicContact CD2-CD2 4.38Å; F1299-F1376 HydrophobicContact CD2-CE1 4.14Å; F1299-F1376 AromaticContact CD2-CE2 3.64Å; F1299-F1376 HydrophobicContact CD2-CE2 3.64Å; F1299-F1376 AromaticContact CD2-CZ 3.5Å; F1299-F1376 HydrophobicContact CD2-CZ 3.5Å; F1299-F1376 VanDerWaalsContact CD2-CZ 3.5Å; F1299-F1376 HydrophobicContact CE2-CE2 4.31Å; F1299-F1376 HydrophobicContact CE2-CZ 4.24Å; F1299-F1376 AromaticContact CG-CD2 3.88Å; F1299-F1376 HydrophobicContact CG-CD2 3.88Å; F1299-F1376 HydrophobicContact CG-CE1 4.38Å; F1299-F1376 AromaticContact CG-CE2 3.57Å; F1299-F1376 HydrophobicContact CG-CE2 3.57Å; F1299-F1376 HydrophobicContact CG-CG 4.4Å; F1299-F1376 AromaticContact CG-CZ 3.85Å; F1299-F1376 HydrophobicContact CG-CZ 3.85Å; F1326-F1376 HydrophobicContact CB-CE1 3.69Å; F1326-F1376 HydrophobicContact CB-CZ 4.16Å; F1326-F1376 HydrophobicContact CD1-CE1 4.11Å; F1326-F1376 HydrophobicContact CD2-CD1 4.31Å; F1326-F1376 AromaticContact CD2-CE1 3.92Å; F1326-F1376 HydrophobicContact CD2-CE1 3.92Å; F1326-F1376 HydrophobicContact CG-CD1 4.45Å; F1326-F1376 AromaticContact CG-CE1 3.64Å; F1326-F1376 HydrophobicContact CG-CE1 3.64Å; F1326-F1376 HydrophobicContact CG-CZ 4.44Å; V1345-F1376 HydrophobicContact CG2-CZ 4.43Å; I1367-F1376 HydrophobicContact CG2-CE2 4.36Å; Y1370-F1376 HydrophobicContact CD1-CD1 4.15Å; Y1370-F1376 AromaticContact CD1-CE1 3.54Å; Y1370-F1376 HydrophobicContact CD1-CE1 3.54Å; Y1370-F1376 AromaticContact CD1-CZ 3.85Å; Y1370-F1376 HydrophobicContact CD1-CZ 3.85Å; Y1370-F1376 HydrophobicContact CD2-CE1 4.37Å; Y1370-F1376 AromaticContact CD2-CZ 3.87Å; Y1370-F1376 HydrophobicContact CD2-CZ 3.87Å; Y1370-F1376 HydrophobicContact CE1-CE1 4.27Å; Y1370-F1376 HydrophobicContact CG-CD1 4.38Å; Y1370-F1376 AromaticContact CG-CE1 3.63Å; Y1370-F1376 HydrophobicContact CG-CE1 3.63Å; Y1370-F1376 AromaticContact CG-CE2 3.99Å; Y1370-F1376 HydrophobicContact CG-CE2 3.99Å; Y1370-F1376 AromaticContact CG-CZ 3.4Å; Y1370-F1376 HydrophobicContact CG-CZ 3.4Å; Y1370-F1376 VanDerWaalsContact CG-CZ 3.4Å; L1371-F1376 HydrophobicContact CD2-CD2 3.83Å; L1371-F1376 HydrophobicContact CG-CD2 4.06Å; K1374-F1376 VanDerWaalsContact C-N 3.3Å; F1376-V1379 HydrophobicContact CB-CG2 4.4Å; F1376-I1411 WeakPolarHBondContact O-CG2 3.17Å | ||
| 1377 | E | 93.1 | Very high | 81.3 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -96.1 | -19.3 | 178.5 | -63.9 | 169.4 | -179.9 | 0 | 0 | 112.2 | P1294 K1295 R1296 T1297 P1412 | P1294-E1377 HydrophobicContact CB-CB 4.03Å; K1295-E1377 WeakPolarHBondContact CA-OE2 3.32Å; K1295-E1377 PolarHBondContact N-OE2 3.14Å; R1296-E1377 PolarHBondContact N-OE2 3.33Å; T1297-E1377 PolarHBondContact N-OE2 2.92Å; T1297-E1377 PolarHBondContact O-N 2.92Å; T1297-E1377 PolarHBondContact OG1-N 3.24Å; E1377-P1412 WeakPolarHBondContact O-CD 3.45Å; E1377-P1412 WeakPolarHBondContact O-CG 3.21Å |
| 1378 | L | 95.3 | Very high | 79 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 137.3 | 171 | 172 | 65.9 | 0 | 0 | 0 | 110 | F1291 P1294 T1297 I1298 F1299 I1380 P1412 V1414 L1423 | F1291-L1378 HydrophobicContact CE2-CD1 3.83Å; F1291-L1378 HydrophobicContact CZ-CD1 3.86Å; P1294-L1378 HydrophobicContact CB-CB 3.89Å; P1294-L1378 HydrophobicContact CG-CB 3.95Å; P1294-L1378 HydrophobicContact CG-CD2 3.92Å; T1297-L1378 PolarHBondContact O-N 3.1Å; I1298-L1378 WeakPolarHBondContact CA-O 3.39Å; I1298-L1378 HydrophobicContact CD1-CD2 4.24Å; I1298-L1378 HydrophobicContact CG1-CB 4.24Å; I1298-L1378 HydrophobicContact CG1-CD2 4.42Å; I1298-L1378 HydrophobicContact CG2-CB 4.34Å; I1298-L1378 HydrophobicContact CG2-CD2 4.19Å; I1298-L1378 HydrophobicContact CG2-CG 4.25Å; F1299-L1378 PolarHBondContact N-O 3.06Å; L1378-I1380 HydrophobicContact CD2-CD1 4.36Å; L1378-I1380 HydrophobicContact CD2-CG1 4.28Å; L1378-I1380 HydrophobicContact CG-CG1 4.29Å; L1378-P1412 HydrophobicContact CD1-CB 3.85Å; L1378-V1414 HydrophobicContact CD1-CG2 4.24Å; L1378-L1423 HydrophobicContact CD1-CD2 4.46Å; L1378-L1423 HydrophobicContact CD2-CD2 3.94Å |
| 1379 | V | 96.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.5 | 172.4 | 175.7 | 0 | 0 | 0 | 0 | 109.5 | F1299 L1371 F1376 N1381 A1406 I1411 P1412 L1413 V1414 | F1299-V1379 HydrophobicContact CB-CG2 4.45Å; F1299-V1379 HydrophobicContact CD1-CG1 4.12Å; F1299-V1379 HydrophobicContact CD1-CG2 4.5Å; L1371-V1379 HydrophobicContact CD2-CG2 3.79Å; F1376-V1379 HydrophobicContact CB-CG2 4.4Å; V1379-N1381 HydrophobicContact CG1-CB 3.98Å; V1379-A1406 HydrophobicContact CB-CB 4.34Å; V1379-A1406 HydrophobicContact CG2-CB 4.13Å; V1379-I1411 HydrophobicContact CG2-CG2 3.99Å; V1379-P1412 PolarHBondContact N-O 3.04Å; V1379-L1413 HydrophobicContact CB-CD1 3.97Å; V1379-L1413 HydrophobicContact CG1-CD1 3.63Å; V1379-L1413 CarbonylContact O-C 3.51Å; V1379-L1413 WeakPolarHBondContact O-CA 3.22Å; V1379-V1414 PolarHBondContact O-N 3.31Å |
| 1380 | I | 97.1 | Very high | 74.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 106.4 | 166.6 | -54.4 | -179.6 | 0 | 0 | 0 | 107.1 | F1299 L1300 S1301 L1318 L1378 L1382 V1414 A1420 | F1299-I1380 PolarHBondContact O-N 3.46Å; L1300-I1380 HydrophobicContact CD2-CB 3.77Å; L1300-I1380 HydrophobicContact CD2-CD1 3.81Å; L1300-I1380 HydrophobicContact CD2-CG1 4.1Å; L1300-I1380 HydrophobicContact CD2-CG2 4.42Å; S1301-I1380 PolarHBondContact N-O 3.22Å; L1318-I1380 HydrophobicContact CD1-CD1 4.48Å; L1378-I1380 HydrophobicContact CD2-CD1 4.36Å; L1378-I1380 HydrophobicContact CD2-CG1 4.28Å; L1378-I1380 HydrophobicContact CG-CG1 4.29Å; I1380-L1382 HydrophobicContact CG2-CD2 4.06Å; I1380-L1382 HydrophobicContact CG2-CG 4.08Å; I1380-V1414 WeakPolarHBondContact CA-O 3.33Å; I1380-V1414 HydrophobicContact CG1-CB 4.43Å; I1380-A1420 HydrophobicContact CD1-CB 4.49Å; I1380-A1420 HydrophobicContact CG2-CB 4.03Å |
| 1381 | N | 94.4 | Very high | 72.2 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 97.1 | -176.9 | -172.8 | -57.8 | 0 | 0 | 0 | 109.9 | S1301 V1379 P1383 T1402 R1403 L1413 V1414 T1415 | S1301-N1381 CarbonylContact O-C 3.39Å; S1301-N1381 VanDerWaalsContact O-CA 3.28Å; S1301-N1381 WeakPolarHBondContact O-CA 3.3Å; V1379-N1381 HydrophobicContact CG1-CB 3.98Å; N1381-P1383 WeakPolarHBondContact O-CD 3.19Å; N1381-T1402 WeakPolarHBondContact ND2-CB 3.49Å; N1381-T1402 PolarHBondContact ND2-OG1 3.35Å; N1381-R1403 HydrophobicContact CB-CG 3.79Å; N1381-R1403 PolarHBondContact OD1-NH1 2.87Å; N1381-L1413 HydrophobicContact CB-CD1 4.08Å; N1381-V1414 PolarHBondContact N-O 3.22Å; N1381-T1415 WeakPolarHBondContact O-CA 3.28Å |
| 1382 | L | 92.2 | Very high | 69.9 | Low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.5 | -176.3 | -54.9 | -176 | 0 | 0 | 0 | 109.6 | S1301 I1302 G1303 Q1307 M1311 I1380 T1415 V1417 | S1301-L1382 PolarHBondContact O-N 2.92Å; I1302-L1382 HydrophobicContact CD1-CD1 4.35Å; I1302-L1382 HydrophobicContact CG1-CB 4.5Å; I1302-L1382 HydrophobicContact CG1-CD1 4.09Å; I1302-L1382 HydrophobicContact CG1-CG 4.25Å; I1302-L1382 HydrophobicContact CG2-CB 4.29Å; I1302-L1382 HydrophobicContact CG2-CD1 4.09Å; G1303-L1382 PolarHBondContact N-O 3.2Å; Q1307-L1382 HydrophobicContact CB-CD1 4.3Å; M1311-L1382 HydrophobicContact CG-CD1 3.99Å; I1380-L1382 HydrophobicContact CG2-CD2 4.06Å; I1380-L1382 HydrophobicContact CG2-CG 4.08Å; L1382-T1415 WeakPolarHBondContact CD2-O 3.41Å; L1382-V1417 HydrophobicContact CD1-CB 4.02Å; L1382-V1417 HydrophobicContact CD1-CG2 4.02Å |
| 1383 | P | 81.9 | Confident | 67.9 | Low | 17 Ų | 17 | 68.8 Ų | 68.8 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | trans | -70.5 | 153.3 | -174.7 | 29.1 | -34.7 | 0 | 0 | 0 | 112.8 | T1260 N1381 T1415 | T1260-P1383 HydrophobicContact CG2-CG 4.08Å; N1381-P1383 WeakPolarHBondContact O-CD 3.19Å; P1383-T1415 WeakPolarHBondContact CD-O 3.37Å | ||
| 1384 | M | 70.9 | Confident | 66.1 | Low | 118 Ų | 118 | 67.4 Ų | 67.4 | 58% | 0.581 | 36% | 0.359 | S | S | * | . | trans | -80.4 | 124.4 | 164.6 | -63 | -176.6 | 65.7 | 0 | 0 | 109.1 | G1303 S1386 | G1303-M1384 VanDerWaalsContact CA-CG 3.44Å; M1384-S1386 VanDerWaalsContact C-N 3.34Å | ||
| 1385 | H | 59.3 | Low | 64.4 | Low | 122 Ų | 122 | 65.1 Ų | 65.1 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | trans | -92.6 | 10.4 | 173.9 | -70.1 | -79.6 | 0 | 0 | 0 | 113.2 | ||||
| 1386 | S | 41.5 | Very low | 62.8 | Low | 82 Ų | 82 | 67.5 Ų | 67.5 | 57% | 0.573 | 36% | 0.362 | S | S | * | . | trans | -121.2 | 78.9 | -164.6 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | M1384 | M1384-S1386 VanDerWaalsContact C-N 3.34Š| ||
| 1387 | S | 37.1 | Very low | 61.8 | Low | 96 Ų | 96 | 70.6 Ų | 70.6 | 67% | 0.671 | 38% | 0.381 | S | S | * | . | trans | -167 | 104.9 | 153.7 | 57.1 | 0 | 0 | 0 | 0 | 107.8 | F1389 | S1387-F1389 PolarHBondContact O-N 3.09Š| ||
| 1388 | G | 34.7 | Very low | 60.9 | Low | 37 Ų | 37 | 70.2 Ų | 70.2 | 38% | 0.381 | 38% | 0.384 | S | S | . | . | trans | -66.2 | 39.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1389 | F | 31.8 | Very low | 60.3 | Low | 165 Ų | 165 | 70.9 Ų | 70.9 | 72% | 0.724 | 39% | 0.391 | S | S | * | . | trans | -116.7 | 82.3 | 172.1 | -74.6 | -78.2 | 0 | 0 | 0 | 108.5 | S1387 R1391 | S1387-F1389 PolarHBondContact O-N 3.09Å; F1389-R1391 PolarHBondContact O-N 3.28Å | ||
| 1390 | Y | 37.8 | Very low | 59.7 | Low | 105 Ų | 105 | 72.2 Ų | 72.2 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | trans | -69.7 | 82.9 | 163 | -145.8 | -83.8 | 0 | 0 | 0 | 108.4 | ||||
| 1391 | R | 36.1 | Very low | 59.1 | Low | 179 Ų | 179 | 74.9 Ų | 74.9 | 68% | 0.675 | 41% | 0.406 | S | S | * | . | trans | -86.1 | 139.1 | 155.5 | -75.8 | -173.3 | 175 | 178.1 | -0.3 | 106.8 | F1389 S1393 A1394 | F1389-R1391 PolarHBondContact O-N 3.28Å; R1391-S1393 VanDerWaalsContact CB-OG 3.31Å; R1391-S1393 WeakPolarHBondContact CB-OG 3.4Å; R1391-S1393 PolarHBondContact O-N 3.26Å; R1391-A1394 WeakPolarHBondContact O-CA 3.43Å; R1391-A1394 WeakPolarHBondContact O-CB 3.5Å; R1391-A1394 PolarHBondContact O-N 3.45Å | ||
| 1392 | V | 39.3 | Very low | 58.8 | Low | 125 Ų | 125 | 74.8 Ų | 74.8 | 76% | 0.758 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -53.5 | -26.2 | 167.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | A1394 F1395 | V1392-A1394 VanDerWaalsContact C-N 3.31Å; V1392-A1394 PolarHBondContact O-N 3.14Å; V1392-F1395 WeakPolarHBondContact O-CB 3.45Å; V1392-F1395 PolarHBondContact O-N 3.46Å |
| 1393 | S | 38.1 | Very low | 58.7 | Low | 92 Ų | 92 | 75.4 Ų | 75.4 | 64% | 0.643 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -69.3 | -20 | 171 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | R1391 F1395 M1396 | R1391-S1393 VanDerWaalsContact CB-OG 3.31Å; R1391-S1393 WeakPolarHBondContact CB-OG 3.4Å; R1391-S1393 PolarHBondContact O-N 3.26Å; S1393-F1395 PolarHBondContact O-N 3.37Å; S1393-M1396 PolarHBondContact O-N 3.49Å |
| 1394 | A | 43.8 | Very low | 59 | Low | 50 Ų | 50 | 75.3 Ų | 75.3 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -71.3 | -11.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1391 V1392 M1396 | R1391-A1394 WeakPolarHBondContact O-CA 3.43Å; R1391-A1394 WeakPolarHBondContact O-CB 3.5Å; R1391-A1394 PolarHBondContact O-N 3.45Å; V1392-A1394 VanDerWaalsContact C-N 3.31Å; V1392-A1394 PolarHBondContact O-N 3.14Å; A1394-M1396 PolarHBondContact O-N 3.09Å; A1394-M1396 VanDerWaalsContact O-N 3.16Å |
| 1395 | F | 48 | Very low | 59.7 | Low | 47 Ų | 47 | 71.8 Ų | 71.8 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -62.3 | -20.7 | 174.6 | -133.3 | -90.3 | 0 | 0 | 0 | 112.5 | P723 K1258 V1392 S1393 Y1400 | P723-F1395 HydrophobicContact CB-CE2 4.31Å; P723-F1395 HydrophobicContact CB-CZ 4.2Å; P723-F1395 WeakPolarHBondContact O-CZ 3.4Å; K1258-F1395 HydrophobicContact CB-CE1 4.49Å; K1258-F1395 HydrophobicContact CB-CZ 4.25Å; V1392-F1395 WeakPolarHBondContact O-CB 3.45Å; V1392-F1395 PolarHBondContact O-N 3.46Å; S1393-F1395 PolarHBondContact O-N 3.37Å; F1395-Y1400 HydrophobicContact CD1-CE2 4.23Å; F1395-Y1400 HydrophobicContact CE1-CE2 4.18Å; F1395-Y1400 WeakPolarHBondContact O-CD1 3.4Å |
| 1396 | M | 57 | Low | 61.2 | Low | 114 Ų | 114 | 66 Ų | 66 | 56% | 0.562 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -108.4 | 38.4 | -176.6 | -69.8 | -143.1 | -73.4 | 0 | 0 | 114.5 | S1393 A1394 R1401 | S1393-M1396 PolarHBondContact O-N 3.49Å; A1394-M1396 PolarHBondContact O-N 3.09Å; A1394-M1396 VanDerWaalsContact O-N 3.16Å; M1396-R1401 PolarHBondContact SD-NH2 2.91Å |
| 1397 | T | 71.3 | Confident | 63.4 | Low | 67 Ų | 67 | 63.9 Ų | 63.9 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | trans | -56.9 | 150.9 | 168.9 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | G1399 Y1400 R1401 | T1397-G1399 PolarHBondContact O-N 3.21Å; T1397-Y1400 WeakPolarHBondContact O-CB 3.35Å; T1397-Y1400 PolarHBondContact O-N 3.48Å; T1397-Y1400 PolarHBondContact OG1-N 3.1Å; T1397-R1401 PolarHBondContact O-N 2.99Å; T1397-R1401 VanDerWaalsContact O-N 3.13Å | ||
| 1398 | P | 75.5 | Confident | 65.5 | Low | 54 Ų | 54 | 61.3 Ų | 61.3 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -52.8 | -39.4 | 173.9 | -27.1 | 34.3 | 0 | 0 | 0 | 112.6 | W1347 R1401 T1402 | W1347-P1398 HydrophobicContact CD2-CB 3.5Å; W1347-P1398 HydrophobicContact CE3-CB 3.67Å; W1347-P1398 HydrophobicContact CG-CB 3.92Å; W1347-P1398 HydrophobicContact CH2-CB 4.49Å; W1347-P1398 HydrophobicContact CZ2-CB 4.31Å; W1347-P1398 HydrophobicContact CZ3-CB 4.19Å; P1398-R1401 PolarHBondContact O-N 3.21Å; P1398-T1402 PolarHBondContact O-N 2.73Å; P1398-T1402 PolarHBondContact O-OG1 2.77Å |
| 1399 | G | 82.2 | Confident | 67.9 | Low | 15 Ų | 15 | 61.7 Ų | 61.7 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1397 T1402 R1403 | T1397-G1399 PolarHBondContact O-N 3.21Å; G1399-T1402 WeakPolarHBondContact CA-OG1 3.43Å; G1399-T1402 PolarHBondContact O-N 3.18Å; G1399-T1402 PolarHBondContact O-OG1 3.29Å; G1399-R1403 WeakPolarHBondContact O-CG 2.91Å; G1399-R1403 PolarHBondContact O-N 3.41Å; G1399-R1403 VanDerWaalsContact O-N 3.15Å; G1399-R1403 PolarHBondContact O-NH1 2.8Å |
| 1400 | Y | 83.6 | Confident | 70.3 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 172.1 | 163.5 | -95.1 | 0 | 0 | 0 | 111.1 | G1256 F1395 T1397 T1402 R1403 R1404 | G1256-Y1400 PolarHBondContact O-OH 2.86Å; G1256-Y1400 VanDerWaalsContact O-OH 3.1Å; F1395-Y1400 HydrophobicContact CD1-CE2 4.23Å; F1395-Y1400 HydrophobicContact CE1-CE2 4.18Å; F1395-Y1400 WeakPolarHBondContact O-CD1 3.4Å; T1397-Y1400 WeakPolarHBondContact O-CB 3.35Å; T1397-Y1400 PolarHBondContact O-N 3.48Å; T1397-Y1400 PolarHBondContact OG1-N 3.1Å; Y1400-T1402 VanDerWaalsContact C-N 3.26Å; Y1400-T1402 PolarHBondContact O-N 2.65Å; Y1400-R1403 PolarHBondContact O-N 3.29Å; Y1400-R1404 WeakPolarHBondContact O-CB 3.43Å; Y1400-R1404 PolarHBondContact O-N 2.78Å |
| 1401 | R | 84.1 | Confident | 72.9 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 21% | 0.211 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 179.3 | -66.6 | -176.5 | 178.9 | 172.4 | 2.5 | 111.7 | F1349 M1396 T1397 P1398 R1404 Q1405 | F1349-R1401 VanDerWaalsContact CE1-NH1 3.29Å; F1349-R1401 HydrophobicContact CE2-CB 4.2Å; F1349-R1401 VanDerWaalsContact CE2-CD 3.41Å; F1349-R1401 HydrophobicContact CE2-CG 4.44Å; M1396-R1401 PolarHBondContact SD-NH2 2.91Å; T1397-R1401 PolarHBondContact O-N 2.99Å; T1397-R1401 VanDerWaalsContact O-N 3.13Å; P1398-R1401 PolarHBondContact O-N 3.21Å; R1401-R1404 PolarHBondContact O-N 2.81Å; R1401-Q1405 WeakPolarHBondContact O-CB 3.41Å; R1401-Q1405 WeakPolarHBondContact O-CG 3.25Å; R1401-Q1405 PolarHBondContact O-N 3.02Å |
| 1402 | T | 88.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 175.5 | -22.5 | 0 | 0 | 0 | 0 | 112.4 | F1299 W1347 I1367 L1371 N1381 P1398 G1399 Y1400 R1404 Q1405 A1406 | F1299-T1402 HydrophobicContact CE1-CG2 4.06Å; W1347-T1402 HydrophobicContact CH2-CG2 3.94Å; W1347-T1402 WeakPolarHBondContact CH2-OG1 3.48Å; W1347-T1402 HydrophobicContact CZ3-CG2 3.94Å; W1347-T1402 WeakPolarHBondContact CZ3-OG1 2.91Å; I1367-T1402 HydrophobicContact CG2-CG2 3.69Å; L1371-T1402 HydrophobicContact CD1-CG2 3.84Å; N1381-T1402 WeakPolarHBondContact ND2-CB 3.49Å; N1381-T1402 PolarHBondContact ND2-OG1 3.35Å; P1398-T1402 PolarHBondContact O-N 2.73Å; P1398-T1402 PolarHBondContact O-OG1 2.77Å; G1399-T1402 WeakPolarHBondContact CA-OG1 3.43Å; G1399-T1402 PolarHBondContact O-N 3.18Å; G1399-T1402 PolarHBondContact O-OG1 3.29Å; Y1400-T1402 VanDerWaalsContact C-N 3.26Å; Y1400-T1402 PolarHBondContact O-N 2.65Å; T1402-R1404 PolarHBondContact O-N 3.3Å; T1402-Q1405 PolarHBondContact O-N 2.7Å; T1402-A1406 WeakPolarHBondContact O-CB 3.17Å; T1402-A1406 PolarHBondContact O-N 2.9Å |
| 1403 | R | 90.5 | Very high | 78.2 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | -178.6 | -70.5 | -169.3 | -62.7 | -82.9 | 0.3 | 109.8 | V1259 N1381 G1399 Y1400 A1406 I1407 L1413 T1415 | V1259-R1403 HydrophobicContact CB-CB 4.25Å; N1381-R1403 HydrophobicContact CB-CG 3.79Å; N1381-R1403 PolarHBondContact OD1-NH1 2.87Å; G1399-R1403 WeakPolarHBondContact O-CG 2.91Å; G1399-R1403 PolarHBondContact O-N 3.41Å; G1399-R1403 VanDerWaalsContact O-N 3.15Å; G1399-R1403 PolarHBondContact O-NH1 2.8Å; Y1400-R1403 PolarHBondContact O-N 3.29Å; R1403-A1406 PolarHBondContact O-N 2.91Å; R1403-I1407 WeakPolarHBondContact O-CG1 3.12Å; R1403-I1407 PolarHBondContact O-N 3.34Å; R1403-I1407 VanDerWaalsContact O-N 3.15Å; R1403-L1413 HydrophobicContact CB-CD2 3.78Å; R1403-L1413 HydrophobicContact CG-CD1 4.11Å; R1403-L1413 HydrophobicContact CG-CD2 4.01Å; R1403-T1415 VanDerWaalsContact CD-CG2 3.5Å; R1403-T1415 HydrophobicContact CG-CG2 4.33Å |
| 1404 | R | 87.8 | Confident | 80.9 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 6% | 0.057 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -52.3 | 177.4 | -164 | 61.5 | -81.9 | 173.2 | -5.9 | 111.4 | F1251 A1257 Y1400 R1401 T1402 A1406 I1407 D1408 | F1251-R1404 VanDerWaalsContact O-CZ 3.29Å; F1251-R1404 PolarHBondContact O-NH1 3.23Å; F1251-R1404 PolarHBondContact O-NH2 3.09Å; A1257-R1404 PolarHBondContact O-NH1 3.07Å; Y1400-R1404 WeakPolarHBondContact O-CB 3.43Å; Y1400-R1404 PolarHBondContact O-N 2.78Å; R1401-R1404 PolarHBondContact O-N 2.81Å; T1402-R1404 PolarHBondContact O-N 3.3Å; R1404-A1406 PolarHBondContact O-N 3.25Å; R1404-I1407 VanDerWaalsContact NH2-CB 3.29Å; R1404-I1407 PolarHBondContact O-N 2.99Å; R1404-D1408 IonicContact CZ-OD1 3.92Å; R1404-D1408 VanDerWaalsContact CZ-OD1 3.3Å; R1404-D1408 IonicContact NE-OD1 3.96Å; R1404-D1408 PolarHBondContact NE-OD1 3.15Å; R1404-D1408 IonicContact NE-OD2 3.12Å; R1404-D1408 IonicContact NH2-OD1 2.66Å; R1404-D1408 PolarHBondContact NH2-OD1 3.39Å; R1404-D1408 WeakPolarHBondContact O-CB 3.48Å; R1404-D1408 PolarHBondContact O-N 3.03Å; R1404-D1408 VanDerWaalsContact O-OD1 3.07Å |
| 1405 | Q | 86.8 | Confident | 83.3 | Confident | 45 Ų | 45 | 34.8 Ų | 34.8 | 21% | 0.21 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 176.3 | -76.9 | -179.1 | -21.1 | 0 | 0 | 112.8 | L1371 R1401 T1402 I1407 D1408 Y1409 | L1371-Q1405 HydrophobicContact CD1-CB 3.73Å; R1401-Q1405 WeakPolarHBondContact O-CB 3.41Å; R1401-Q1405 WeakPolarHBondContact O-CG 3.25Å; R1401-Q1405 PolarHBondContact O-N 3.02Å; T1402-Q1405 PolarHBondContact O-N 2.7Å; Q1405-I1407 PolarHBondContact O-N 2.98Å; Q1405-D1408 PolarHBondContact O-N 3.35Å; Q1405-Y1409 HydrophobicContact CB-CD2 4.23Å; Q1405-Y1409 HydrophobicContact CB-CE2 4.25Å; Q1405-Y1409 HydrophobicContact CG-CE2 4.37Å; Q1405-Y1409 WeakPolarHBondContact O-CB 3.42Å; Q1405-Y1409 WeakPolarHBondContact O-CD2 3.41Å; Q1405-Y1409 PolarHBondContact O-N 2.48Å |
| 1406 | A | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1371 V1379 T1402 R1403 R1404 Y1409 G1410 I1411 L1413 | L1371-A1406 HydrophobicContact CD2-CB 4.24Å; V1379-A1406 HydrophobicContact CB-CB 4.34Å; V1379-A1406 HydrophobicContact CG2-CB 4.13Å; T1402-A1406 WeakPolarHBondContact O-CB 3.17Å; T1402-A1406 PolarHBondContact O-N 2.9Å; R1403-A1406 PolarHBondContact O-N 2.91Å; R1404-A1406 PolarHBondContact O-N 3.25Å; A1406-Y1409 PolarHBondContact O-N 2.89Å; A1406-G1410 PolarHBondContact O-N 3.1Å; A1406-I1411 HydrophobicContact CB-CB 4.45Å; A1406-I1411 PolarHBondContact O-N 3.49Å; A1406-L1413 HydrophobicContact CB-CB 4.43Å |
| 1407 | I | 87.6 | Confident | 87.1 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 19% | 0.19 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.1 | -61.6 | -64.3 | 0 | 0 | 0 | 111.5 | F1251 V1259 R1403 R1404 Q1405 Y1409 G1410 L1413 | F1251-I1407 HydrophobicContact CB-CG2 4.27Å; V1259-I1407 HydrophobicContact CG1-CD1 4.26Å; V1259-I1407 HydrophobicContact CG1-CG1 3.84Å; V1259-I1407 HydrophobicContact CG2-CG1 4.24Å; R1403-I1407 WeakPolarHBondContact O-CG1 3.12Å; R1403-I1407 PolarHBondContact O-N 3.34Å; R1403-I1407 VanDerWaalsContact O-N 3.15Å; R1404-I1407 VanDerWaalsContact NH2-CB 3.29Å; R1404-I1407 PolarHBondContact O-N 2.99Å; Q1405-I1407 PolarHBondContact O-N 2.98Å; I1407-Y1409 VanDerWaalsContact C-N 3.28Å; I1407-Y1409 PolarHBondContact O-N 3.16Å; I1407-G1410 PolarHBondContact O-N 3.27Å; I1407-L1413 HydrophobicContact CD1-CB 4.1Å; I1407-L1413 HydrophobicContact CD1-CD2 3.96Å; I1407-L1413 HydrophobicContact CG1-CD2 3.89Å |
| 1408 | D | 82.3 | Confident | 88.2 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.3 | -28.6 | -175.6 | -61.9 | -7.3 | 0 | 0 | 0 | 112.4 | R1404 Q1405 | R1404-D1408 IonicContact CZ-OD1 3.92Å; R1404-D1408 VanDerWaalsContact CZ-OD1 3.3Å; R1404-D1408 IonicContact NE-OD1 3.96Å; R1404-D1408 PolarHBondContact NE-OD1 3.15Å; R1404-D1408 IonicContact NE-OD2 3.12Å; R1404-D1408 IonicContact NH2-OD1 2.66Å; R1404-D1408 PolarHBondContact NH2-OD1 3.39Å; R1404-D1408 WeakPolarHBondContact O-CB 3.48Å; R1404-D1408 PolarHBondContact O-N 3.03Å; R1404-D1408 VanDerWaalsContact O-OD1 3.07Å; Q1405-D1408 PolarHBondContact O-N 3.35Å |
| 1409 | Y | 84 | Confident | 89.2 | Confident | 45 Ų | 45 | 26.3 Ų | 26.3 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.2 | 172.6 | -68.1 | -62.9 | 0 | 0 | 0 | 113.7 | L1371 S1372 K1374 Q1405 A1406 I1407 I1411 | L1371-Y1409 HydrophobicContact CB-CD2 4.13Å; S1372-Y1409 WeakPolarHBondContact CB-OH 3.14Å; K1374-Y1409 WeakPolarHBondContact CE-O 3.38Å; K1374-Y1409 PolarHBondContact NZ-O 3.16Å; Q1405-Y1409 HydrophobicContact CB-CD2 4.23Å; Q1405-Y1409 HydrophobicContact CB-CE2 4.25Å; Q1405-Y1409 HydrophobicContact CG-CE2 4.37Å; Q1405-Y1409 WeakPolarHBondContact O-CB 3.42Å; Q1405-Y1409 WeakPolarHBondContact O-CD2 3.41Å; Q1405-Y1409 PolarHBondContact O-N 2.48Å; A1406-Y1409 PolarHBondContact O-N 2.89Å; I1407-Y1409 VanDerWaalsContact C-N 3.28Å; I1407-Y1409 PolarHBondContact O-N 3.16Å; Y1409-I1411 VanDerWaalsContact C-N 3.33Å; Y1409-I1411 PolarHBondContact O-N 2.82Å |
| 1410 | G | 82.8 | Confident | 89.8 | Confident | 49 Ų | 49 | 25.6 Ų | 25.6 | 51% | 0.505 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1406 I1407 | A1406-G1410 PolarHBondContact O-N 3.1Å; I1407-G1410 PolarHBondContact O-N 3.27Å |
| 1411 | I | 91.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | trans | -90.4 | 129.8 | 176.1 | -61.6 | 170.1 | 0 | 0 | 0 | 108.8 | L1371 F1376 V1379 A1406 Y1409 L1413 | L1371-I1411 HydrophobicContact CB-CD1 4.3Å; L1371-I1411 HydrophobicContact CD2-CD1 3.63Å; L1371-I1411 WeakPolarHBondContact O-CD1 3.27Å; F1376-I1411 WeakPolarHBondContact O-CG2 3.17Å; V1379-I1411 HydrophobicContact CG2-CG2 3.99Å; A1406-I1411 HydrophobicContact CB-CB 4.45Å; A1406-I1411 PolarHBondContact O-N 3.49Å; Y1409-I1411 VanDerWaalsContact C-N 3.33Å; Y1409-I1411 PolarHBondContact O-N 2.82Å; I1411-L1413 PolarHBondContact O-N 3.18Å | ||
| 1412 | P | 93.2 | Very high | 91 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | trans | -49.2 | 132.5 | 174.5 | -29.9 | 35 | 0 | 0 | 0 | 113.2 | F1291 E1292 E1377 L1378 V1379 | F1291-P1412 HydrophobicContact CD2-CB 3.78Å; F1291-P1412 HydrophobicContact CE2-CB 3.61Å; F1291-P1412 HydrophobicContact CG-CB 4.48Å; F1291-P1412 HydrophobicContact CZ-CB 4.19Å; E1292-P1412 HydrophobicContact CB-CG 4.31Å; E1377-P1412 WeakPolarHBondContact O-CD 3.45Å; E1377-P1412 WeakPolarHBondContact O-CG 3.21Å; L1378-P1412 HydrophobicContact CD1-CB 3.85Å; V1379-P1412 PolarHBondContact N-O 3.04Å | ||
| 1413 | L | 94.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 24.6 Ų | 24.6 | 17% | 0.168 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.9 | -175.2 | 174.1 | 66 | 0 | 0 | 0 | 111.2 | V1259 V1379 N1381 R1403 A1406 I1407 I1411 T1415 | V1259-L1413 HydrophobicContact CG1-CD2 3.73Å; V1379-L1413 HydrophobicContact CB-CD1 3.97Å; V1379-L1413 HydrophobicContact CG1-CD1 3.63Å; V1379-L1413 CarbonylContact O-C 3.51Å; V1379-L1413 WeakPolarHBondContact O-CA 3.22Å; N1381-L1413 HydrophobicContact CB-CD1 4.08Å; R1403-L1413 HydrophobicContact CB-CD2 3.78Å; R1403-L1413 HydrophobicContact CG-CD1 4.11Å; R1403-L1413 HydrophobicContact CG-CD2 4.01Å; A1406-L1413 HydrophobicContact CB-CB 4.43Å; I1407-L1413 HydrophobicContact CD1-CB 4.1Å; I1407-L1413 HydrophobicContact CD1-CD2 3.96Å; I1407-L1413 HydrophobicContact CG1-CD2 3.89Å; I1411-L1413 PolarHBondContact O-N 3.18Å; L1413-T1415 HydrophobicContact CD1-CG2 4.02Å; L1413-T1415 HydrophobicContact CD2-CG2 3.83Å; L1413-T1415 HydrophobicContact CG-CG2 3.76Å |
| 1414 | V | 95.2 | Very high | 91.5 | Very high | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.8 | 169.9 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | F1291 L1378 V1379 I1380 N1381 C1419 A1420 L1423 | F1291-V1414 HydrophobicContact CE2-CG2 4.43Å; L1378-V1414 HydrophobicContact CD1-CG2 4.24Å; V1379-V1414 PolarHBondContact O-N 3.31Å; I1380-V1414 WeakPolarHBondContact CA-O 3.33Å; I1380-V1414 HydrophobicContact CG1-CB 4.43Å; N1381-V1414 PolarHBondContact N-O 3.22Å; V1414-C1419 HydrophobicContact CG1-CB 4.28Å; V1414-A1420 HydrophobicContact CG1-CB 3.83Å; V1414-L1423 HydrophobicContact CG2-CD2 3.76Å |
| 1415 | T | 92.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 27 Ų | 27 | 18% | 0.184 | 15% | 0.147 | C | C | . | . | trans | -120.3 | -9 | -174.6 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | N1381 L1382 P1383 R1403 L1413 | N1381-T1415 WeakPolarHBondContact O-CA 3.28Å; L1382-T1415 WeakPolarHBondContact CD2-O 3.41Å; P1383-T1415 WeakPolarHBondContact CD-O 3.37Å; R1403-T1415 VanDerWaalsContact CD-CG2 3.5Å; R1403-T1415 HydrophobicContact CG-CG2 4.33Å; L1413-T1415 HydrophobicContact CD1-CG2 4.02Å; L1413-T1415 HydrophobicContact CD2-CG2 3.83Å; L1413-T1415 HydrophobicContact CG-CG2 3.76Å | ||
| 1416 | D | 93.2 | Very high | 92 | Very high | 35 Ų | 35 | 24.9 Ų | 24.9 | 19% | 0.187 | 14% | 0.137 | C | C | . | . | trans | -107.4 | 141.2 | 176.3 | 180 | -93.3 | 0 | 0 | 0 | 111.7 | E1139 K1418 C1419 A1420 | E1139-D1416 HydrophobicContact CG-CB 4.36Å; D1416-K1418 WeakPolarHBondContact OD1-CA 3.26Å; D1416-K1418 VanDerWaalsContact OD1-CB 3.31Å; D1416-K1418 WeakPolarHBondContact OD1-CB 3.37Å; D1416-K1418 PolarHBondContact OD1-N 3.22Å; D1416-C1419 HydrophobicContact CB-CB 4.21Å; D1416-C1419 PolarHBondContact OD1-N 2.74Å; D1416-A1420 WeakPolarHBondContact O-CB 3.47Å; D1416-A1420 PolarHBondContact O-N 2.92Å | ||
| 1417 | V | 93 | Very high | 92.1 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.8 | -35.8 | -175.7 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | Q1307 E1310 M1311 L1382 K1421 | Q1307-V1417 HydrophobicContact CG-CG2 4.41Å; E1310-V1417 HydrophobicContact CG-CG2 4.35Å; M1311-V1417 HydrophobicContact CG-CG2 3.95Å; M1311-V1417 HydrophobicContact SD-CG2 3.98Å; L1382-V1417 HydrophobicContact CD1-CB 4.02Å; L1382-V1417 HydrophobicContact CD1-CG2 4.02Å; V1417-K1421 VanDerWaalsContact O-CG 3.27Å; V1417-K1421 WeakPolarHBondContact O-CG 3.4Å; V1417-K1421 PolarHBondContact O-N 3.49Å; V1417-K1421 VanDerWaalsContact O-N 3.12Å |
| 1418 | K | 94 | Very high | 92.1 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 22% | 0.222 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.1 | -42.7 | 180 | -57.3 | -59.9 | -175.9 | -171.9 | 0 | 110.5 | V1138 N1140 E1310 D1416 A1420 K1421 L1422 | V1138-K1418 HydrophobicContact CG1-CB 4.16Å; V1138-K1418 WeakPolarHBondContact O-CB 3.41Å; V1138-K1418 WeakPolarHBondContact O-CG 3.22Å; N1140-K1418 WeakPolarHBondContact OD1-CE 3.01Å; E1310-K1418 IonicContact OE1-NZ 3.14Å; E1310-K1418 PolarHBondContact OE1-NZ 3.05Å; D1416-K1418 WeakPolarHBondContact OD1-CA 3.26Å; D1416-K1418 VanDerWaalsContact OD1-CB 3.31Å; D1416-K1418 WeakPolarHBondContact OD1-CB 3.37Å; D1416-K1418 PolarHBondContact OD1-N 3.22Å; K1418-A1420 VanDerWaalsContact C-N 3.3Å; K1418-A1420 PolarHBondContact O-N 3.35Å; K1418-K1421 PolarHBondContact O-N 2.92Å; K1418-L1422 PolarHBondContact O-N 3.48Å |
| 1419 | C | 95.4 | Very high | 92 | Very high | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 174.4 | -64.3 | 0 | 0 | 0 | 0 | 112 | E1139 Y1282 V1414 D1416 L1422 L1423 | E1139-C1419 PolarHBondContact OE1-SG 2.85Å; Y1282-C1419 PolarHBondContact OH-O 3.14Å; V1414-C1419 HydrophobicContact CG1-CB 4.28Å; D1416-C1419 HydrophobicContact CB-CB 4.21Å; D1416-C1419 PolarHBondContact OD1-N 2.74Å; C1419-L1422 PolarHBondContact O-N 2.86Å; C1419-L1423 VanDerWaalsContact O-CB 3.27Å; C1419-L1423 WeakPolarHBondContact O-CB 3.22Å; C1419-L1423 PolarHBondContact O-N 3.26Å |
| 1420 | A | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1311 I1380 V1414 D1416 K1418 L1423 V1424 | M1311-A1420 HydrophobicContact CE-CB 3.74Å; M1311-A1420 HydrophobicContact SD-CB 4.02Å; I1380-A1420 HydrophobicContact CD1-CB 4.49Å; I1380-A1420 HydrophobicContact CG2-CB 4.03Å; V1414-A1420 HydrophobicContact CG1-CB 3.83Å; D1416-A1420 WeakPolarHBondContact O-CB 3.47Å; D1416-A1420 PolarHBondContact O-N 2.92Å; K1418-A1420 VanDerWaalsContact C-N 3.3Å; K1418-A1420 PolarHBondContact O-N 3.35Å; A1420-L1423 PolarHBondContact O-N 2.93Å; A1420-V1424 WeakPolarHBondContact O-CG2 3.22Å; A1420-V1424 PolarHBondContact O-N 2.81Å |
| 1421 | K | 96.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 176.5 | -69.8 | 168.6 | 63.5 | 166.8 | 0 | 111.9 | E1310 M1311 V1417 K1418 L1423 V1424 Q1425 | E1310-K1421 HydrophobicContact CG-CD 4.04Å; E1310-K1421 IonicContact OE1-NZ 2.87Å; E1310-K1421 PolarHBondContact OE1-NZ 3.37Å; M1311-K1421 HydrophobicContact SD-CD 4.48Å; M1311-K1421 HydrophobicContact SD-CG 3.7Å; V1417-K1421 VanDerWaalsContact O-CG 3.27Å; V1417-K1421 WeakPolarHBondContact O-CG 3.4Å; V1417-K1421 PolarHBondContact O-N 3.49Å; V1417-K1421 VanDerWaalsContact O-N 3.12Å; K1418-K1421 PolarHBondContact O-N 2.92Å; K1421-L1423 VanDerWaalsContact C-N 3.31Å; K1421-L1423 PolarHBondContact O-N 2.71Å; K1421-V1424 PolarHBondContact O-N 3.17Å; K1421-Q1425 VanDerWaalsContact O-CG 3.32Å; K1421-Q1425 WeakPolarHBondContact O-CG 3.43Å; K1421-Q1425 PolarHBondContact O-N 3.12Å |
| 1422 | L | 95.1 | Very high | 89 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 178.7 | -176.9 | 61.4 | 0 | 0 | 0 | 111.1 | V1138 F1279 Y1282 K1418 C1419 Q1425 A1426 | V1138-L1422 HydrophobicContact CB-CD2 4.47Å; V1138-L1422 HydrophobicContact CG1-CB 4.31Å; V1138-L1422 HydrophobicContact CG1-CD2 3.79Å; V1138-L1422 HydrophobicContact CG2-CD2 3.8Å; F1279-L1422 HydrophobicContact CD1-CD1 3.64Å; F1279-L1422 HydrophobicContact CE1-CD1 3.77Å; Y1282-L1422 HydrophobicContact CD1-CB 4.47Å; Y1282-L1422 HydrophobicContact CD1-CD2 3.76Å; Y1282-L1422 HydrophobicContact CD1-CG 3.63Å; Y1282-L1422 HydrophobicContact CD2-CD2 3.69Å; Y1282-L1422 HydrophobicContact CD2-CG 4.47Å; Y1282-L1422 HydrophobicContact CE1-CB 4.23Å; Y1282-L1422 HydrophobicContact CE1-CD2 4.03Å; Y1282-L1422 HydrophobicContact CE1-CG 3.87Å; Y1282-L1422 HydrophobicContact CE2-CD2 3.97Å; Y1282-L1422 HydrophobicContact CG-CD2 3.56Å; Y1282-L1422 HydrophobicContact CG-CG 3.94Å; K1418-L1422 PolarHBondContact O-N 3.48Å; C1419-L1422 PolarHBondContact O-N 2.86Å; L1422-Q1425 PolarHBondContact O-N 3.43Å; L1422-A1426 WeakPolarHBondContact O-CB 2.93Å; L1422-A1426 PolarHBondContact O-N 3.3Å |
| 1423 | L | 95.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 174.5 | 175.4 | 62.4 | 0 | 0 | 0 | 111.7 | Y1282 L1283 L1286 F1291 L1378 V1414 C1419 A1420 K1421 Q1425 A1426 L1427 | Y1282-L1423 HydrophobicContact CE1-CB 4.07Å; L1283-L1423 HydrophobicContact CD1-CD1 4.39Å; L1286-L1423 HydrophobicContact CD2-CD1 3.77Å; F1291-L1423 HydrophobicContact CE1-CD1 4.11Å; F1291-L1423 HydrophobicContact CE2-CD2 4.24Å; F1291-L1423 HydrophobicContact CZ-CD1 3.98Å; F1291-L1423 HydrophobicContact CZ-CD2 3.72Å; L1378-L1423 HydrophobicContact CD1-CD2 4.46Å; L1378-L1423 HydrophobicContact CD2-CD2 3.94Å; V1414-L1423 HydrophobicContact CG2-CD2 3.76Å; C1419-L1423 VanDerWaalsContact O-CB 3.27Å; C1419-L1423 WeakPolarHBondContact O-CB 3.22Å; C1419-L1423 PolarHBondContact O-N 3.26Å; A1420-L1423 PolarHBondContact O-N 2.93Å; K1421-L1423 VanDerWaalsContact C-N 3.31Å; K1421-L1423 PolarHBondContact O-N 2.71Å; L1423-Q1425 VanDerWaalsContact C-N 3.3Å; L1423-Q1425 PolarHBondContact O-N 3.47Å; L1423-A1426 PolarHBondContact O-N 3.5Å; L1423-L1427 HydrophobicContact CD1-CD1 4.15Å; L1423-L1427 HydrophobicContact CD1-CD2 4.45Å; L1423-L1427 HydrophobicContact CD1-CG 4.03Å; L1423-L1427 HydrophobicContact CG-CD1 4.07Å; L1423-L1427 HydrophobicContact CG-CG 4.35Å; L1423-L1427 VanDerWaalsContact O-CG 3.31Å; L1423-L1427 WeakPolarHBondContact O-CG 3.49Å; L1423-L1427 PolarHBondContact O-N 2.69Å |
| 1424 | V | 95 | Very high | 86.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | -179.3 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | C1314 D1317 L1318 M1321 A1420 K1421 L1427 K1428 | C1314-V1424 HydrophobicContact CB-CB 4.04Å; C1314-V1424 HydrophobicContact CB-CG1 3.89Å; C1314-V1424 HydrophobicContact CB-CG2 4.11Å; D1317-V1424 HydrophobicContact CB-CG1 3.84Å; L1318-V1424 HydrophobicContact CD1-CG2 3.96Å; L1318-V1424 HydrophobicContact CD2-CG1 4.16Å; L1318-V1424 HydrophobicContact CD2-CG2 3.82Å; L1318-V1424 HydrophobicContact CG-CG1 4.06Å; L1318-V1424 HydrophobicContact CG-CG2 3.82Å; M1321-V1424 HydrophobicContact CE-CG1 4.29Å; A1420-V1424 WeakPolarHBondContact O-CG2 3.22Å; A1420-V1424 PolarHBondContact O-N 2.81Å; K1421-V1424 PolarHBondContact O-N 3.17Å; V1424-L1427 PolarHBondContact O-N 2.87Å; V1424-K1428 WeakPolarHBondContact O-CB 3.41Å; V1424-K1428 PolarHBondContact O-N 3.27Å |
| 1425 | Q | 93.1 | Very high | 85.3 | Confident | 79 Ų | 79 | 46.2 Ų | 46.2 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.4 | -71.5 | 174.3 | -9.4 | 0 | 0 | 111.9 | F1279 K1421 L1422 L1423 K1428 R1429 | F1279-Q1425 HydrophobicContact CD1-CB 4.03Å; F1279-Q1425 HydrophobicContact CE1-CB 3.83Å; K1421-Q1425 VanDerWaalsContact O-CG 3.32Å; K1421-Q1425 WeakPolarHBondContact O-CG 3.43Å; K1421-Q1425 PolarHBondContact O-N 3.12Å; L1422-Q1425 PolarHBondContact O-N 3.43Å; L1423-Q1425 VanDerWaalsContact C-N 3.3Å; L1423-Q1425 PolarHBondContact O-N 3.47Å; Q1425-K1428 PolarHBondContact O-N 3.48Å; Q1425-R1429 PolarHBondContact O-N 2.92Å |
| 1426 | A | 92.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1279 Y1282 L1283 L1422 L1423 K1428 R1429 V1430 | F1279-A1426 HydrophobicContact CB-CB 4.03Å; Y1282-A1426 HydrophobicContact CD1-CB 4.42Å; L1283-A1426 HydrophobicContact CB-CB 4.33Å; L1422-A1426 WeakPolarHBondContact O-CB 2.93Å; L1422-A1426 PolarHBondContact O-N 3.3Å; L1423-A1426 PolarHBondContact O-N 3.5Å; A1426-K1428 VanDerWaalsContact C-N 3.32Å; A1426-K1428 PolarHBondContact O-N 2.99Å; A1426-R1429 WeakPolarHBondContact O-CB 3.23Å; A1426-R1429 PolarHBondContact O-N 3.31Å; A1426-R1429 VanDerWaalsContact O-N 3.13Å; A1426-V1430 WeakPolarHBondContact O-CG2 3.02Å; A1426-V1430 PolarHBondContact O-N 2.98Å |
| 1427 | L | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 174.4 | -70.2 | 176 | 0 | 0 | 0 | 111.4 | L1283 I1293 P1294 M1321 L1423 V1424 R1429 V1430 S1431 G1432 | L1283-L1427 HydrophobicContact CD1-CD2 4.44Å; I1293-L1427 HydrophobicContact CG2-CD2 3.74Å; P1294-L1427 HydrophobicContact CG-CD1 4.4Å; M1321-L1427 HydrophobicContact CE-CB 4.29Å; M1321-L1427 HydrophobicContact SD-CB 4.4Å; L1423-L1427 HydrophobicContact CD1-CD1 4.15Å; L1423-L1427 HydrophobicContact CD1-CD2 4.45Å; L1423-L1427 HydrophobicContact CD1-CG 4.03Å; L1423-L1427 HydrophobicContact CG-CD1 4.07Å; L1423-L1427 HydrophobicContact CG-CG 4.35Å; L1423-L1427 VanDerWaalsContact O-CG 3.31Å; L1423-L1427 WeakPolarHBondContact O-CG 3.49Å; L1423-L1427 PolarHBondContact O-N 2.69Å; V1424-L1427 PolarHBondContact O-N 2.87Å; L1427-R1429 VanDerWaalsContact C-N 3.3Å; L1427-R1429 PolarHBondContact O-N 3.22Å; L1427-V1430 WeakPolarHBondContact O-CG2 3.28Å; L1427-V1430 PolarHBondContact O-N 3.05Å; L1427-S1431 PolarHBondContact O-N 3.18Å; L1427-G1432 VanDerWaalsContact O-CA 3.29Å; L1427-G1432 WeakPolarHBondContact O-CA 3.42Å; L1427-G1432 PolarHBondContact O-N 3.44Å |
| 1428 | K | 87.5 | Confident | 84 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 47% | 0.465 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 176.8 | -173 | 175.2 | -178.3 | 174.7 | 0 | 112.4 | D1317 M1321 V1424 Q1425 A1426 S1431 | D1317-K1428 HydrophobicContact CB-CD 4.35Å; D1317-K1428 IonicContact OD1-NZ 3.69Å; D1317-K1428 PolarHBondContact OD1-NZ 2.87Å; D1317-K1428 IonicContact OD2-NZ 2.63Å; M1321-K1428 HydrophobicContact CE-CB 4.44Å; M1321-K1428 VanDerWaalsContact SD-CA 3.53Å; M1321-K1428 HydrophobicContact SD-CB 3.91Å; M1321-K1428 HydrophobicContact SD-CG 4.44Å; V1424-K1428 WeakPolarHBondContact O-CB 3.41Å; V1424-K1428 PolarHBondContact O-N 3.27Å; Q1425-K1428 PolarHBondContact O-N 3.48Å; A1426-K1428 VanDerWaalsContact C-N 3.32Å; A1426-K1428 PolarHBondContact O-N 2.99Å; K1428-S1431 PolarHBondContact O-N 2.95Å |
| 1429 | R | 80.3 | Confident | 83.5 | Confident | 166 Ų | 166 | 50.5 Ų | 50.5 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.8 | -35.5 | 179.5 | -160.8 | 85 | 173.4 | 129.8 | -1.6 | 112.6 | D1277 Q1425 A1426 L1427 | D1277-R1429 IonicContact OD2-NE 3.77Å; D1277-R1429 PolarHBondContact OD2-NE 3.08Å; D1277-R1429 IonicContact OD2-NH2 2.79Å; Q1425-R1429 PolarHBondContact O-N 2.92Å; A1426-R1429 WeakPolarHBondContact O-CB 3.23Å; A1426-R1429 PolarHBondContact O-N 3.31Å; A1426-R1429 VanDerWaalsContact O-N 3.13Å; L1427-R1429 VanDerWaalsContact C-N 3.3Å; L1427-R1429 PolarHBondContact O-N 3.22Å |
| 1430 | V | 70.6 | Confident | 82.8 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 19.4 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | L1283 A1426 L1427 G1432 P1436 | L1283-V1430 HydrophobicContact CD2-CB 4.35Å; L1283-V1430 HydrophobicContact CD2-CG1 3.91Å; L1283-V1430 HydrophobicContact CD2-CG2 3.58Å; A1426-V1430 WeakPolarHBondContact O-CG2 3.02Å; A1426-V1430 PolarHBondContact O-N 2.98Å; L1427-V1430 WeakPolarHBondContact O-CG2 3.28Å; L1427-V1430 PolarHBondContact O-N 3.05Å; V1430-G1432 PolarHBondContact O-N 3.13Å; V1430-G1432 VanDerWaalsContact O-N 3.16Å; V1430-P1436 HydrophobicContact CG1-CG 4.03Å |
| 1431 | S | 65.5 | Low | 81.8 | Confident | 105 Ų | 105 | 57.5 Ų | 57.5 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.3 | -176.1 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | L1427 K1428 R1433 | L1427-S1431 PolarHBondContact O-N 3.18Å; K1428-S1431 PolarHBondContact O-N 2.95Å; S1431-R1433 VanDerWaalsContact C-N 3.28Å; S1431-R1433 PolarHBondContact O-N 2.65Å |
| 1432 | G | 59.8 | Low | 81.2 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -2.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y1323 L1427 V1430 | Y1323-G1432 PolarHBondContact OH-O 3.17Å; L1427-G1432 VanDerWaalsContact O-CA 3.29Å; L1427-G1432 WeakPolarHBondContact O-CA 3.42Å; L1427-G1432 PolarHBondContact O-N 3.44Å; V1430-G1432 PolarHBondContact O-N 3.13Å; V1430-G1432 VanDerWaalsContact O-N 3.16Å |
| 1433 | R | 63.2 | Low | 81 | Confident | 172 Ų | 172 | 56 Ų | 56 | 65% | 0.649 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.6 | -17.3 | -167.2 | -61.3 | -173.9 | -176.6 | 178.8 | 3 | 116.8 | S1431 | S1431-R1433 VanDerWaalsContact C-N 3.28Å; S1431-R1433 PolarHBondContact O-N 2.65Å |
| 1434 | T | 67.7 | Low | 80.6 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -123.3 | 140.6 | -179.3 | 38.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1435 | P | 73.5 | Confident | 80.1 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 16% | 0.156 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 149.3 | 172.7 | 27.7 | -32.8 | 0 | 0 | 0 | 110.2 | K433 Y434 I1287 | K433-P1435 HydrophobicContact CD-CG 3.88Å; Y434-P1435 HydrophobicContact CE2-CB 4Å; I1287-P1435 HydrophobicContact CD1-CB 4.11Å |
| 1436 | P | 81 | Confident | 79.4 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 143.3 | 173.7 | -29.3 | 33.2 | 0 | 0 | 0 | 113.8 | Y434 E1280 L1283 K1284 V1430 | Y434-P1436 VanDerWaalsContact CE1-O 3.26Å; Y434-P1436 WeakPolarHBondContact CE1-O 3.31Å; Y434-P1436 VanDerWaalsContact OH-CD 3.31Å; Y434-P1436 WeakPolarHBondContact OH-CD 3.14Å; Y434-P1436 PolarHBondContact OH-O 3.42Å; Y434-P1436 VanDerWaalsContact OH-O 3.13Å; E1280-P1436 HydrophobicContact CG-CB 3.69Å; E1280-P1436 HydrophobicContact CG-CG 3.9Å; L1283-P1436 HydrophobicContact CD2-CG 4.1Å; K1284-P1436 HydrophobicContact CD-CB 4.46Å; K1284-P1436 HydrophobicContact CG-CB 4.21Å; K1284-P1436 HydrophobicContact CG-CG 4.18Å; V1430-P1436 HydrophobicContact CG1-CG 4.03Å |
| 1437 | I | 83.9 | Confident | 78.7 | Confident | 134 Ų | 134 | 58.7 Ų | 58.7 | 69% | 0.687 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 144.5 | 175.3 | -58.6 | 172.3 | 0 | 0 | 0 | 109.4 | ||
| 1438 | V | 87.3 | Confident | 77.9 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 129.8 | 173.9 | 176 | 0 | 0 | 0 | 0 | 110.4 | Y426 L428 Y434 Q437 V438 P1440 D1443 | Y426-V1438 HydrophobicContact CD1-CG1 4.44Å; Y426-V1438 HydrophobicContact CE1-CG1 3.94Å; L428-V1438 HydrophobicContact CD1-CB 4.35Å; L428-V1438 HydrophobicContact CD1-CG1 3.83Å; L428-V1438 HydrophobicContact CD1-CG2 3.6Å; Y434-V1438 HydrophobicContact CD1-CG2 3.6Å; Y434-V1438 HydrophobicContact CE1-CG2 4.12Å; Q437-V1438 HydrophobicContact CB-CB 4.08Å; Q437-V1438 HydrophobicContact CB-CG2 3.66Å; Q437-V1438 HydrophobicContact CG-CG2 4.44Å; V438-V1438 HydrophobicContact CG2-CG1 4.5Å; V1438-P1440 HydrophobicContact CG1-CG 4.41Å; V1438-D1443 WeakPolarHBondContact CA-OD2 3.13Å |
| 1439 | N | 84 | Confident | 77 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 31% | 0.305 | 30% | 0.302 | S | S | . | . | trans | -116.4 | 99.5 | 169.1 | -176.5 | -7.3 | 0 | 0 | 0 | 109.2 | E1441 I1442 D1443 | N1439-E1441 PolarHBondContact O-N 2.68Å; N1439-E1441 PolarHBondContact OD1-N 3.41Å; N1439-E1441 VanDerWaalsContact OD1-N 3.14Å; N1439-I1442 HydrophobicContact CB-CB 4.42Å; N1439-I1442 WeakPolarHBondContact ND2-CD1 3.46Å; N1439-I1442 PolarHBondContact O-N 2.93Å; N1439-D1443 PolarHBondContact N-OD2 3.44Å; N1439-D1443 WeakPolarHBondContact O-CB 3.49Å; N1439-D1443 PolarHBondContact O-N 2.8Å | ||
| 1440 | P | 79.8 | Confident | 76.5 | Confident | 34 Ų | 34 | 55 Ų | 55 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.8 | -25.6 | 179.9 | -30.3 | 38.4 | 0 | 0 | 0 | 115.3 | Y426 C441 V1438 I1442 R1444 | Y426-P1440 HydrophobicContact CE1-CB 4.43Å; Y426-P1440 WeakPolarHBondContact OH-CB 3.31Å; C441-P1440 HydrophobicContact CB-CG 4.13Å; V1438-P1440 HydrophobicContact CG1-CG 4.41Å; P1440-I1442 VanDerWaalsContact C-N 3.3Å; P1440-R1444 VanDerWaalsContact O-CD 3.29Å; P1440-R1444 WeakPolarHBondContact O-CD 3.33Å; P1440-R1444 WeakPolarHBondContact O-CG 3.27Å; P1440-R1444 PolarHBondContact O-NE 3.24Å |
| 1441 | E | 75.2 | Confident | 76.5 | Confident | 124 Ų | 124 | 54.6 Ų | 54.6 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.6 | -20.1 | 178.8 | -61.8 | -174.1 | 157.3 | 0 | 0 | 112.8 | N1439 R1452 | N1439-E1441 PolarHBondContact O-N 2.68Å; N1439-E1441 PolarHBondContact OD1-N 3.41Å; N1439-E1441 VanDerWaalsContact OD1-N 3.14Å; E1441-R1452 IonicContact OE1-CZ 2.89Å; E1441-R1452 IonicContact OE1-NH1 3.62Å; E1441-R1452 PolarHBondContact OE1-NH1 3.43Å; E1441-R1452 IonicContact OE1-NH2 3.49Å; E1441-R1452 PolarHBondContact OE1-NH2 3.1Å |
| 1442 | I | 84.9 | Confident | 77.1 | Confident | 32 Ų | 32 | 55 Ų | 55 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -112.7 | -40 | -177.6 | -62.7 | 179.4 | 0 | 0 | 0 | 111.3 | F1274 K1276 N1439 P1440 R1444 | F1274-I1442 HydrophobicContact CB-CG2 3.86Å; F1274-I1442 WeakPolarHBondContact CB-O 3.06Å; F1274-I1442 WeakPolarHBondContact CG-O 3.34Å; K1276-I1442 HydrophobicContact CB-CD1 4.11Å; N1439-I1442 HydrophobicContact CB-CB 4.42Å; N1439-I1442 WeakPolarHBondContact ND2-CD1 3.46Å; N1439-I1442 PolarHBondContact O-N 2.93Å; P1440-I1442 VanDerWaalsContact C-N 3.3Å; I1442-R1444 VanDerWaalsContact C-N 3.34Å; I1442-R1444 PolarHBondContact O-N 2.93Å |
| 1443 | D | 90.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.9 | -9.4 | -169.1 | -67.3 | -33.9 | 0 | 0 | 0 | 113.9 | Y426 F427 L428 F1274 K1284 V1438 N1439 | Y426-D1443 WeakPolarHBondContact CA-O 3.1Å; Y426-D1443 HydrophobicContact CD1-CB 4.2Å; F427-D1443 PolarHBondContact N-O 3.39Å; L428-D1443 HydrophobicContact CD1-CB 4.28Å; L428-D1443 HydrophobicContact CD2-CB 4.07Å; L428-D1443 HydrophobicContact CG-CB 4.19Å; F1274-D1443 VanDerWaalsContact O-OD1 3.1Å; K1284-D1443 IonicContact NZ-OD1 3.26Å; K1284-D1443 PolarHBondContact NZ-OD1 3.34Å; K1284-D1443 IonicContact NZ-OD2 2.65Å; K1284-D1443 PolarHBondContact NZ-OD2 3.38Å; V1438-D1443 WeakPolarHBondContact CA-OD2 3.13Å; N1439-D1443 PolarHBondContact N-OD2 3.44Å; N1439-D1443 WeakPolarHBondContact O-CB 3.49Å; N1439-D1443 PolarHBondContact O-N 2.8Å |
| 1444 | R | 86.9 | Confident | 79.3 | Confident | 53 Ų | 53 | 49 Ų | 49 | 20% | 0.2 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.9 | -177.7 | 96.2 | -165.2 | 171 | 160.8 | 1.7 | 113.1 | T425 Y426 E442 P1440 I1442 | T425-R1444 CarbonylContact O-C 3.56Å; T425-R1444 WeakPolarHBondContact O-CA 3.41Å; Y426-R1444 HydrophobicContact CD1-CB 3.85Å; Y426-R1444 HydrophobicContact CD2-CB 4.01Å; Y426-R1444 HydrophobicContact CE1-CB 3.83Å; Y426-R1444 HydrophobicContact CE2-CB 3.96Å; Y426-R1444 HydrophobicContact CG-CB 3.97Å; E442-R1444 IonicContact OE1-CZ 3.07Å; E442-R1444 IonicContact OE1-NH1 2.68Å; E442-R1444 PolarHBondContact OE1-NH1 2.84Å; E442-R1444 IonicContact OE2-NH1 3.34Å; P1440-R1444 VanDerWaalsContact O-CD 3.29Å; P1440-R1444 WeakPolarHBondContact O-CD 3.33Å; P1440-R1444 WeakPolarHBondContact O-CG 3.27Å; P1440-R1444 PolarHBondContact O-NE 3.24Å; I1442-R1444 VanDerWaalsContact C-N 3.34Å; I1442-R1444 PolarHBondContact O-N 2.93Å |
| 1445 | I | 85.1 | Confident | 80.1 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.2 | 162.7 | -68.1 | 179.9 | 0 | 0 | 0 | 108.2 | T425 F427 K1211 F1274 | T425-I1445 PolarHBondContact N-O 2.88Å; T425-I1445 PolarHBondContact O-N 2.91Å; F427-I1445 HydrophobicContact CD2-CD1 4.5Å; F427-I1445 HydrophobicContact CD2-CG1 4.46Å; F427-I1445 HydrophobicContact CE2-CB 4.26Å; F427-I1445 HydrophobicContact CE2-CD1 3.56Å; F427-I1445 HydrophobicContact CE2-CG1 3.79Å; F427-I1445 HydrophobicContact CZ-CD1 4.06Å; K1211-I1445 HydrophobicContact CB-CD1 3.85Å; K1211-I1445 HydrophobicContact CG-CD1 4.12Å; F1274-I1445 HydrophobicContact CZ-CD1 4.47Å |
| 1446 | N | 78.8 | Confident | 81.1 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.4 | 174.4 | -173.4 | 1.8 | 0 | 0 | 0 | 110.2 | K419 D423 F424 H1448 T1450 | K419-N1446 VanDerWaalsContact CE-O 3.29Å; K419-N1446 WeakPolarHBondContact CE-O 3.24Å; D423-N1446 PolarHBondContact O-OD1 2.9Å; F424-N1446 HydrophobicContact CD1-CB 4.24Å; F424-N1446 HydrophobicContact CE1-CB 4.26Å; F424-N1446 WeakPolarHBondContact CE1-OD1 3.5Å; N1446-H1448 PolarHBondContact OD1-N 3.02Å; N1446-T1450 WeakPolarHBondContact ND2-CG2 3.38Å; N1446-T1450 PolarHBondContact ND2-OG1 2.88Å |
| 1447 | S | 77.7 | Confident | 81.8 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | trans | -81.3 | -21.1 | 176.7 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | K419 G420 A422 D423 | K419-S1447 VanDerWaalsContact CE-O 3.32Å; K419-S1447 WeakPolarHBondContact CE-O 3.47Å; G420-S1447 PolarHBondContact N-OG 3.49Å; A422-S1447 WeakPolarHBondContact O-CB 3.11Å; A422-S1447 PolarHBondContact O-OG 2.82Å; D423-S1447 PolarHBondContact O-N 2.91Å | ||
| 1448 | H | 72.2 | Confident | 82.4 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 11% | 0.111 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -88.9 | 148.7 | -178.4 | -64.4 | -72.6 | 0 | 0 | 0 | 113 | D423 N1446 T1450 D1736 | D423-H1448 IonicContact OD1-CD2 2.72Å; D423-H1448 IonicContact OD1-CE1 3.22Å; D423-H1448 PolarHBondContact OD1-CE1 3.03Å; D423-H1448 IonicContact OD1-NE2 3.82Å; D423-H1448 PolarHBondContact OD1-NE2 3.44Å; N1446-H1448 PolarHBondContact OD1-N 3.02Å; H1448-T1450 HydrophobicContact CB-CG2 4.03Å; H1448-T1450 PolarHBondContact O-N 3.38Å; H1448-T1450 VanDerWaalsContact O-N 3.17Å; H1448-D1736 VanDerWaalsContact CB-OD2 3.3Å; H1448-D1736 WeakPolarHBondContact CB-OD2 3.2Å; H1448-D1736 IonicContact CD2-OD2 3.82Å; H1448-D1736 IonicContact CG-OD2 3.76Å; H1448-D1736 VanDerWaalsContact CG-OD2 3.23Å; H1448-D1736 IonicContact ND1-OD2 3.78Å; H1448-D1736 PolarHBondContact ND1-OD2 3.49Å |
| 1449 | F | 68.9 | Low | 82.8 | Confident | 127 Ų | 127 | 36.3 Ų | 36.3 | 56% | 0.557 | 18% | 0.179 | S | C | * | . | trans | -83.9 | 83.5 | 168.3 | -170 | -112.2 | 0 | 0 | 0 | 111 | V1451 L1737 D1738 | F1449-V1451 HydrophobicContact CD1-CG2 4.41Å; F1449-V1451 HydrophobicContact CE1-CG2 3.86Å; F1449-V1451 HydrophobicContact CZ-CG2 4.27Å; F1449-L1737 HydrophobicContact CD1-CB 4.18Å; F1449-L1737 HydrophobicContact CD1-CD1 3.9Å; F1449-L1737 HydrophobicContact CE1-CD1 3.82Å; F1449-L1737 PolarHBondContact O-N 3.36Å; F1449-D1738 WeakPolarHBondContact CB-OD2 3.48Å; F1449-D1738 PolarHBondContact N-OD2 3.11Å | ||
| 1450 | T | 69.6 | Low | 83.4 | Confident | 43 Ų | 43 | 33.7 Ų | 33.7 | 26% | 0.264 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.8 | 177.3 | 55 | 0 | 0 | 0 | 0 | 111.3 | N1446 H1448 V1735 | N1446-T1450 WeakPolarHBondContact ND2-CG2 3.38Å; N1446-T1450 PolarHBondContact ND2-OG1 2.88Å; H1448-T1450 HydrophobicContact CB-CG2 4.03Å; H1448-T1450 PolarHBondContact O-N 3.38Å; H1448-T1450 VanDerWaalsContact O-N 3.17Å; T1450-V1735 CarbonylContact C-O 3.53Å; T1450-V1735 VanDerWaalsContact CA-O 3.31Å; T1450-V1735 WeakPolarHBondContact CA-O 2.79Å |
| 1451 | V | 71.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 32 Ų | 32 | 13% | 0.127 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | F1449 L1453 L1708 V1735 L1737 | F1449-V1451 HydrophobicContact CD1-CG2 4.41Å; F1449-V1451 HydrophobicContact CE1-CG2 3.86Å; F1449-V1451 HydrophobicContact CZ-CG2 4.27Å; V1451-L1453 HydrophobicContact CG1-CD2 3.83Å; V1451-L1453 HydrophobicContact CG1-CG 4.41Å; V1451-L1708 HydrophobicContact CG1-CD1 3.84Å; V1451-L1708 HydrophobicContact CG1-CD2 4.25Å; V1451-L1708 HydrophobicContact CG2-CD1 4.28Å; V1451-V1735 PolarHBondContact N-O 3.29Å; V1451-V1735 PolarHBondContact O-N 3.39Å; V1451-L1737 HydrophobicContact CG2-CD1 3.53Å; V1451-L1737 HydrophobicContact CG2-CG 4.22Å |
| 1452 | R | 77.2 | Confident | 85 | Confident | 114 Ų | 114 | 26.8 Ų | 26.8 | 43% | 0.43 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121 | 173.4 | -175.5 | 178.6 | -81.1 | 177.4 | -4 | 110.2 | E1441 Y1732 V1733 E1734 | E1441-R1452 IonicContact OE1-CZ 2.89Å; E1441-R1452 IonicContact OE1-NH1 3.62Å; E1441-R1452 PolarHBondContact OE1-NH1 3.43Å; E1441-R1452 IonicContact OE1-NH2 3.49Å; E1441-R1452 PolarHBondContact OE1-NH2 3.1Å; R1452-Y1732 HydrophobicContact CG-CD2 3.64Å; R1452-Y1732 HydrophobicContact CG-CE2 4.39Å; R1452-Y1732 HydrophobicContact CG-CG 3.91Å; R1452-Y1732 VanDerWaalsContact NH2-CE2 3.27Å; R1452-Y1732 PolarHBondContact NH2-OH 2.93Å; R1452-V1733 CarbonylContact C-O 3.56Å; R1452-V1733 WeakPolarHBondContact CA-O 3Å; R1452-E1734 HydrophobicContact CB-CG 4.41Å; R1452-E1734 HydrophobicContact CG-CG 4.43Å; R1452-E1734 IonicContact CZ-OE1 2.8Å; R1452-E1734 IonicContact NE-OE1 2.76Å; R1452-E1734 PolarHBondContact NE-OE1 2.97Å; R1452-E1734 IonicContact NH2-OE1 3.62Å; R1452-E1734 PolarHBondContact NH2-OE1 2.62Å |
| 1453 | L | 84.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.9 | 174.7 | -54.4 | 178 | 0 | 0 | 0 | 109.5 | V1451 L1456 L1694 L1708 L1712 Y1732 V1733 V1735 | V1451-L1453 HydrophobicContact CG1-CD2 3.83Å; V1451-L1453 HydrophobicContact CG1-CG 4.41Å; L1453-L1456 HydrophobicContact CD1-CD1 4.39Å; L1453-L1694 HydrophobicContact CD1-CD1 4.37Å; L1453-L1708 HydrophobicContact CD2-CD2 4.29Å; L1453-L1712 HydrophobicContact CB-CD2 4.27Å; L1453-L1712 HydrophobicContact CD2-CD2 3.92Å; L1453-L1712 HydrophobicContact CD2-CG 4.4Å; L1453-Y1732 CarbonylContact O-C 3.57Å; L1453-Y1732 VanDerWaalsContact O-CA 3.25Å; L1453-Y1732 WeakPolarHBondContact O-CA 3.2Å; L1453-Y1732 WeakPolarHBondContact O-CB 3.21Å; L1453-V1733 HydrophobicContact CB-CB 4.44Å; L1453-V1733 PolarHBondContact N-O 2.65Å; L1453-V1733 PolarHBondContact O-N 3.02Å; L1453-V1735 HydrophobicContact CD1-CG2 3.86Å; L1453-V1735 HydrophobicContact CG-CG2 4.45Å |
| 1454 | P | 86.4 | Confident | 85.2 | Confident | 44 Ų | 44 | 26.6 Ų | 26.6 | 29% | 0.286 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 166.6 | 169.7 | 33 | -34.7 | 0 | 0 | 0 | 110.7 | L1456 L1712 H1716 | P1454-L1456 WeakPolarHBondContact O-CD2 3.47Å; P1454-L1456 PolarHBondContact O-N 3.34Å; P1454-L1456 VanDerWaalsContact O-N 3.13Å; P1454-L1712 HydrophobicContact CG-CD2 3.7Å; P1454-H1716 HydrophobicContact CG-CB 4.19Å |
| 1455 | G | 83.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 117.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1487 H1716 T1731 | G1455-T1487 WeakPolarHBondContact CA-OG1 3.49Å; G1455-H1716 PolarHBondContact O-CE1 2.76Å; G1455-H1716 PolarHBondContact O-ND1 2.79Å; G1455-T1731 PolarHBondContact N-O 3.27Å; G1455-T1731 VanDerWaalsContact N-O 3.16Å |
| 1456 | L | 93.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 152.8 | -176.8 | -54.2 | -178.8 | 0 | 0 | 0 | 111.4 | L1453 P1454 G1485 I1486 T1487 M1488 L1694 L1712 L1715 H1716 | L1453-L1456 HydrophobicContact CD1-CD1 4.39Å; P1454-L1456 WeakPolarHBondContact O-CD2 3.47Å; P1454-L1456 PolarHBondContact O-N 3.34Å; P1454-L1456 VanDerWaalsContact O-N 3.13Å; L1456-G1485 WeakPolarHBondContact CB-O 3.16Å; L1456-I1486 HydrophobicContact CB-CD1 3.88Å; L1456-T1487 PolarHBondContact N-OG1 2.99Å; L1456-T1487 PolarHBondContact O-N 3.3Å; L1456-T1487 PolarHBondContact O-OG1 3.42Å; L1456-M1488 PolarHBondContact O-N 2.98Å; L1456-L1694 HydrophobicContact CD1-CD1 3.68Å; L1456-L1694 HydrophobicContact CD1-CD2 3.8Å; L1456-L1694 HydrophobicContact CD1-CG 4.28Å; L1456-L1712 HydrophobicContact CD2-CD2 4.4Å; L1456-L1715 CarbonylContact C-O 3.43Å; L1456-L1715 WeakPolarHBondContact CA-O 3.49Å; L1456-L1715 HydrophobicContact CB-CB 4.16Å; L1456-L1715 HydrophobicContact CD1-CB 4.45Å; L1456-L1715 HydrophobicContact CD1-CD1 4.03Å; L1456-L1715 HydrophobicContact CD2-CB 4.03Å; L1456-L1715 HydrophobicContact CG-CB 4.45Å; L1456-H1716 HydrophobicContact CD2-CB 4.26Å |
| 1457 | I | 95.7 | Very high | 85.5 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.8 | -168.3 | -50.2 | -175.9 | 0 | 0 | 0 | 109.1 | V1459 M1488 L1715 P1719 R1720 L1725 | I1457-V1459 HydrophobicContact CG2-CG1 4.14Å; I1457-M1488 WeakPolarHBondContact CA-O 3.33Å; I1457-M1488 HydrophobicContact CD1-SD 4.39Å; I1457-M1488 HydrophobicContact CG1-CB 4.19Å; I1457-M1488 HydrophobicContact CG2-CB 4.27Å; I1457-M1488 HydrophobicContact CG2-CG 4.41Å; I1457-M1488 HydrophobicContact CG2-SD 4.5Å; I1457-L1715 PolarHBondContact N-O 2.98Å; I1457-P1719 HydrophobicContact CB-CB 3.96Å; I1457-P1719 HydrophobicContact CD1-CB 4.28Å; I1457-P1719 HydrophobicContact CG2-CB 4.05Å; I1457-R1720 HydrophobicContact CD1-CG 3.47Å; I1457-R1720 VanDerWaalsContact CD1-CG 3.47Å; I1457-L1725 HydrophobicContact CD1-CD1 3.81Å; I1457-L1725 HydrophobicContact CG2-CD1 3.79Å |
| 1458 | D | 96.9 | Very high | 86 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.5 | 168 | -167 | -24.3 | 0 | 0 | 0 | 109.9 | H1460 V1461 I1486 M1488 V1489 L1490 A1667 S1668 L1690 M1693 | D1458-H1460 VanDerWaalsContact C-N 3.33Å; D1458-H1460 PolarHBondContact OD1-N 2.71Å; D1458-V1461 HydrophobicContact CB-CG2 3.92Å; D1458-I1486 HydrophobicContact CB-CD1 4.48Å; D1458-I1486 HydrophobicContact CB-CG1 4.32Å; D1458-I1486 HydrophobicContact CB-CG2 3.73Å; D1458-M1488 PolarHBondContact N-O 3Å; D1458-V1489 CarbonylContact O-C 3.57Å; D1458-V1489 WeakPolarHBondContact O-CA 3.49Å; D1458-L1490 PolarHBondContact O-N 3.45Å; D1458-A1667 WeakPolarHBondContact OD1-CA 3.48Å; D1458-S1668 PolarHBondContact OD1-N 2.94Å; D1458-S1668 VanDerWaalsContact OD1-N 3.17Å; D1458-S1668 WeakPolarHBondContact OD2-CB 3.31Å; D1458-S1668 PolarHBondContact OD2-N 2.81Å; D1458-S1668 PolarHBondContact OD2-OG 3.43Å; D1458-L1690 HydrophobicContact CB-CD1 4.18Å; D1458-L1690 VanDerWaalsContact OD2-CD1 3.22Å; D1458-L1690 WeakPolarHBondContact OD2-CD1 3.4Å; D1458-M1693 HydrophobicContact CB-CE 4.05Å; D1458-M1693 WeakPolarHBondContact OD2-CE 3.22Å |
| 1459 | V | 96.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -0.7 | -172.8 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | I1457 L1490 Y1520 E1623 C1665 A1667 P1719 F1723 | I1457-V1459 HydrophobicContact CG2-CG1 4.14Å; V1459-L1490 HydrophobicContact CB-CD1 4Å; V1459-L1490 HydrophobicContact CB-CG 4.49Å; V1459-L1490 HydrophobicContact CG1-CD1 3.91Å; V1459-L1490 HydrophobicContact CG1-CG 4.47Å; V1459-Y1520 WeakPolarHBondContact O-CE2 3.37Å; V1459-Y1520 PolarHBondContact O-OH 2.74Å; V1459-E1623 VanDerWaalsContact CG2-OE2 3.23Å; V1459-E1623 WeakPolarHBondContact CG2-OE2 3.22Å; V1459-C1665 HydrophobicContact CG2-CB 4.14Å; V1459-A1667 HydrophobicContact CG2-CB 3.76Å; V1459-P1719 HydrophobicContact CG1-CB 3.73Å; V1459-P1719 HydrophobicContact CG1-CG 4.18Å; V1459-F1723 HydrophobicContact CB-CD2 4.44Å; V1459-F1723 HydrophobicContact CB-CE2 3.83Å; V1459-F1723 HydrophobicContact CB-CZ 4.17Å; V1459-F1723 HydrophobicContact CG1-CD2 3.78Å; V1459-F1723 HydrophobicContact CG1-CE2 3.55Å; V1459-F1723 HydrophobicContact CG1-CZ 4.36Å; V1459-F1723 HydrophobicContact CG2-CE2 4.28Å |
| 1460 | H | 96.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 88.4 | -176.9 | -156.3 | 142.9 | 0 | 0 | 0 | 113.5 | D1458 H1462 M1492 K1542 H1600 E1623 A1667 D1669 H1670 | D1458-H1460 VanDerWaalsContact C-N 3.33Å; D1458-H1460 PolarHBondContact OD1-N 2.71Å; H1460-H1462 AromaticContact CD2-NE2 3.55Å; H1460-H1462 AromaticContact NE2-CE1 3.98Å; H1460-H1462 AromaticContact NE2-NE2 3.41Å; H1460-H1462 PolarHBondContact NE2-NE2 3.2Å; H1460-M1492 HydrophobicContact CB-CE 3.96Å; H1460-M1492 WeakPolarHBondContact CD2-CE 3.24Å; H1460-M1492 VanDerWaalsContact CD2-CG 3.41Å; H1460-M1492 WeakPolarHBondContact CD2-CG 3.4Å; H1460-M1492 VanDerWaalsContact CG-CE 3.49Å; H1460-K1542 PolarHBondContact CE1-NZ 2.89Å; H1460-K1542 PolarHBondContact NE2-NZ 3.4Å; H1460-H1600 AromaticContact CE1-CD2 3.32Å; H1460-H1600 PolarHBondContact CE1-CD2 2.65Å; H1460-H1600 AromaticContact CE1-NE2 3.55Å; H1460-H1600 AromaticContact ND1-CD2 3.89Å; H1460-E1623 IonicContact CE1-OE1 2.85Å; H1460-E1623 IonicContact CG-OE1 3.19Å; H1460-E1623 IonicContact ND1-OE1 2.68Å; H1460-E1623 PolarHBondContact ND1-OE1 3.15Å; H1460-A1667 HydrophobicContact CB-CB 3.62Å; H1460-D1669 IonicContact CD2-OD1 3.45Å; H1460-D1669 PolarHBondContact CD2-OD1 3.42Å; H1460-D1669 VanDerWaalsContact CD2-OD1 3.23Å; H1460-D1669 IonicContact CE1-OD1 2.71Å; H1460-D1669 IonicContact CG-OD1 3.66Å; H1460-D1669 IonicContact NE2-OD1 3.65Å; H1460-D1669 PolarHBondContact NE2-OD1 2.75Å; H1460-D1669 VanDerWaalsContact O-CA 3.28Å; H1460-D1669 WeakPolarHBondContact O-CA 3.23Å; H1460-D1669 PolarHBondContact O-N 3.04Å; H1460-H1670 PolarHBondContact O-N 3Å |
| 1461 | V | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134.1 | 180 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | D1458 M1463 V1489 L1490 A1491 M1492 H1670 L1690 | D1458-V1461 HydrophobicContact CB-CG2 3.92Å; V1461-M1463 HydrophobicContact CG1-SD 3.64Å; V1461-V1489 HydrophobicContact CB-CB 4.25Å; V1461-V1489 HydrophobicContact CG2-CB 3.95Å; V1461-V1489 HydrophobicContact CG2-CG1 3.96Å; V1461-L1490 PolarHBondContact N-O 3.21Å; V1461-L1490 VanDerWaalsContact N-O 3.12Å; V1461-A1491 CarbonylContact O-C 3.55Å; V1461-A1491 WeakPolarHBondContact O-CA 3.3Å; V1461-M1492 PolarHBondContact O-N 3.15Å; V1461-H1670 HydrophobicContact CG1-CB 4.27Å; V1461-L1690 HydrophobicContact CG1-CD2 4.08Å; V1461-L1690 HydrophobicContact CG2-CD1 4.1Å; V1461-L1690 HydrophobicContact CG2-CD2 4.47Å |
| 1462 | H | 93.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.065 | 14% | 0.135 | C | C | . | . | trans | -101.5 | 98.1 | 174.9 | -56.1 | -109 | 0 | 0 | 0 | 110 | H1460 R1464 N1494 D1669 H1670 | H1460-H1462 AromaticContact CD2-NE2 3.55Å; H1460-H1462 AromaticContact NE2-CE1 3.98Å; H1460-H1462 AromaticContact NE2-NE2 3.41Å; H1460-H1462 PolarHBondContact NE2-NE2 3.2Å; H1462-R1464 PolarHBondContact O-N 3.47Å; H1462-N1494 PolarHBondContact CE1-ND2 3.39Å; H1462-N1494 PolarHBondContact ND1-ND2 2.88Å; H1462-N1494 PolarHBondContact ND1-OD1 3.18Å; H1462-D1669 IonicContact CD2-OD1 2.71Å; H1462-D1669 PolarHBondContact CD2-OD1 3.46Å; H1462-D1669 IonicContact NE2-OD1 3.4Å; H1462-D1669 PolarHBondContact NE2-OD1 3.04Å; H1462-H1670 WeakPolarHBondContact CB-O 3.37Å; H1462-H1670 PolarHBondContact CD2-O 3.22Å; H1462-H1670 VanDerWaalsContact CD2-O 3.32Å; H1462-H1670 PolarHBondContact N-O 3.23Å | ||
| 1463 | M | 89 | Confident | 90.6 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | trans | -72.1 | -13.3 | -178.8 | -60.3 | -56.8 | -66.8 | 0 | 0 | 114.4 | V1461 E1465 E1472 W1474 T1478 V1489 A1491 | V1461-M1463 HydrophobicContact CG1-SD 3.64Å; M1463-E1465 PolarHBondContact O-N 3.42Å; M1463-E1472 CarbonylContact O-C 3.59Å; M1463-E1472 VanDerWaalsContact O-O 3.04Å; M1463-W1474 HydrophobicContact CB-CD2 4.36Å; M1463-W1474 HydrophobicContact CB-CZ2 4.21Å; M1463-W1474 HydrophobicContact CE-CB 4.39Å; M1463-W1474 HydrophobicContact CE-CD2 3.98Å; M1463-W1474 HydrophobicContact CE-CE3 3.68Å; M1463-W1474 HydrophobicContact CE-CG 4.32Å; M1463-W1474 HydrophobicContact CE-CZ3 4.26Å; M1463-W1474 HydrophobicContact CG-CD2 4.23Å; M1463-W1474 HydrophobicContact CG-CE3 4.11Å; M1463-W1474 HydrophobicContact CG-CH2 3.9Å; M1463-W1474 HydrophobicContact CG-CZ2 3.99Å; M1463-W1474 HydrophobicContact CG-CZ3 3.94Å; M1463-T1478 HydrophobicContact CE-CG2 3.82Å; M1463-V1489 HydrophobicContact SD-CG2 4.49Å; M1463-A1491 HydrophobicContact CG-CB 4Å | ||
| 1464 | R | 88.6 | Confident | 90.9 | Very high | 22 Ų | 22 | 19.7 Ų | 19.7 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | trans | 57.6 | -1.8 | 178.7 | -55.4 | -59.6 | -164.5 | -178.9 | 3.3 | 117 | H1462 P1466 A1468 T1469 K1471 E1472 P1672 H1673 | H1462-R1464 PolarHBondContact O-N 3.47Å; R1464-P1466 CarbonylContact O-C 3.58Å; R1464-A1468 HydrophobicContact CB-CB 3.99Å; R1464-A1468 WeakPolarHBondContact CB-O 3.15Å; R1464-A1468 CarbonylContact O-C 3.47Å; R1464-A1468 VanDerWaalsContact O-C 3.25Å; R1464-A1468 WeakPolarHBondContact O-CA 3.33Å; R1464-A1468 PolarHBondContact O-N 3.48Å; R1464-T1469 PolarHBondContact O-N 3.09Å; R1464-K1471 HydrophobicContact CB-CB 4.47Å; R1464-K1471 HydrophobicContact CG-CB 4.18Å; R1464-E1472 HydrophobicContact CB-CB 4.26Å; R1464-E1472 HydrophobicContact CG-CB 4.2Å; R1464-P1672 HydrophobicContact CG-CG 4.04Å; R1464-P1672 PolarHBondContact NE-O 3.16Å; R1464-P1672 PolarHBondContact NH2-O 3.2Å; R1464-H1673 PolarHBondContact NH2-CD2 3.23Å; R1464-H1673 PolarHBondContact NH2-NE2 3.47Å; R1464-H1673 VanDerWaalsContact NH2-NE2 3.11Å | ||
| 1465 | E | 87.8 | Confident | 91 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 15% | 0.154 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 128.3 | 172.2 | -174.8 | 173.3 | -165 | 0 | 0 | 110.5 | M1463 T1469 D1473 W1474 L1508 K1512 | M1463-E1465 PolarHBondContact O-N 3.42Å; E1465-T1469 HydrophobicContact CB-CG2 4.35Å; E1465-T1469 HydrophobicContact CG-CG2 4.19Å; E1465-D1473 WeakPolarHBondContact OE2-CB 3.49Å; E1465-W1474 PolarHBondContact O-NE1 2.83Å; E1465-W1474 PolarHBondContact OE2-N 3.03Å; E1465-L1508 WeakPolarHBondContact O-CD2 3.32Å; E1465-K1512 IonicContact OE1-NZ 3.51Å; E1465-K1512 PolarHBondContact OE1-NZ 3.29Å; E1465-K1512 IonicContact OE2-NZ 3.07Å |
| 1466 | P | 85.5 | Confident | 91.3 | Very high | 36 Ų | 36 | 21 Ų | 21 | 23% | 0.234 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -80.1 | 159 | -0.7 | 33.9 | -36.7 | 0 | 0 | 0 | 114 | R1464 T1495 N1496 | R1464-P1466 CarbonylContact O-C 3.58Å; P1466-T1495 WeakPolarHBondContact O-CB 3.23Å; P1466-N1496 CarbonylContact C-O 3.15Å; P1466-N1496 PolarHBondContact O-N 2.93Å |
| 1467 | G | 85 | Confident | 91.2 | Very high | 52 Ų | 52 | 21 Ų | 21 | 54% | 0.536 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.3 | -20.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | N1496 | G1467-N1496 VanDerWaalsContact CA-O 3.28Å; G1467-N1496 WeakPolarHBondContact CA-O 3.49Å; G1467-N1496 PolarHBondContact N-O 3.11Å |
| 1468 | A | 88.5 | Confident | 91.1 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 16% | 0.157 | 13% | 0.126 | C | C | . | . | trans | -145.8 | 37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1464 H1470 K1471 | R1464-A1468 HydrophobicContact CB-CB 3.99Å; R1464-A1468 WeakPolarHBondContact CB-O 3.15Å; R1464-A1468 CarbonylContact O-C 3.47Å; R1464-A1468 VanDerWaalsContact O-C 3.25Å; R1464-A1468 WeakPolarHBondContact O-CA 3.33Å; R1464-A1468 PolarHBondContact O-N 3.48Å; A1468-H1470 PolarHBondContact O-N 3.3Å; A1468-K1471 HydrophobicContact CB-CD 4.12Å; A1468-K1471 HydrophobicContact CB-CG 4.34Å; A1468-K1471 WeakPolarHBondContact O-CB 3.46Å; A1468-K1471 PolarHBondContact O-N 3.32Å | ||
| 1469 | T | 89.1 | Confident | 90.6 | Very high | 48 Ų | 48 | 26 Ų | 26 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.7 | -174.1 | -45.5 | 0 | 0 | 0 | 0 | 114.5 | R1464 E1465 K1471 E1472 D1473 K1751 | R1464-T1469 PolarHBondContact O-N 3.09Å; E1465-T1469 HydrophobicContact CB-CG2 4.35Å; E1465-T1469 HydrophobicContact CG-CG2 4.19Å; T1469-K1471 VanDerWaalsContact C-N 3.3Å; T1469-E1472 CarbonylContact C-O 3.5Å; T1469-E1472 VanDerWaalsContact CA-O 3.27Å; T1469-E1472 WeakPolarHBondContact CA-O 3.22Å; T1469-D1473 HydrophobicContact CG2-CB 3.55Å; T1469-K1751 PolarHBondContact O-NZ 3Å |
| 1470 | H | 91.7 | Very high | 90.3 | Very high | 105 Ų | 105 | 26 Ų | 26 | 49% | 0.486 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -22.9 | 173.3 | 67 | -72 | 0 | 0 | 0 | 112.8 | A1468 E1677 | A1468-H1470 PolarHBondContact O-N 3.3Å; H1470-E1677 IonicContact CD2-OE1 3Å; H1470-E1677 IonicContact CE1-OE1 2.69Å; H1470-E1677 IonicContact NE2-OE1 3.28Å; H1470-E1677 PolarHBondContact NE2-OE1 3.4Å |
| 1471 | K | 90.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -39.8 | 177.7 | -52 | -174.2 | -164.8 | -147.5 | 0 | 112 | R1464 A1468 T1469 H1673 E1677 S1752 | R1464-K1471 HydrophobicContact CB-CB 4.47Å; R1464-K1471 HydrophobicContact CG-CB 4.18Å; A1468-K1471 HydrophobicContact CB-CD 4.12Å; A1468-K1471 HydrophobicContact CB-CG 4.34Å; A1468-K1471 WeakPolarHBondContact O-CB 3.46Å; A1468-K1471 PolarHBondContact O-N 3.32Å; T1469-K1471 VanDerWaalsContact C-N 3.3Å; K1471-H1673 PolarHBondContact NZ-CE1 3.15Å; K1471-H1673 PolarHBondContact NZ-ND1 3.24Å; K1471-H1673 VanDerWaalsContact NZ-ND1 3.2Å; K1471-E1677 WeakPolarHBondContact CD-OE2 2.98Å; K1471-E1677 WeakPolarHBondContact CE-OE1 3.3Å; K1471-E1677 WeakPolarHBondContact CE-OE2 3.44Å; K1471-E1677 VanDerWaalsContact NZ-CD 3.3Å; K1471-E1677 IonicContact NZ-OE1 3.94Å; K1471-E1677 PolarHBondContact NZ-OE1 3.1Å; K1471-E1677 IonicContact NZ-OE2 2.7Å; K1471-E1677 PolarHBondContact NZ-OE2 3.29Å; K1471-S1752 PolarHBondContact O-N 2.65Å |
| 1472 | E | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -164.4 | 150.6 | 173 | -160.9 | 65.8 | -76.8 | 0 | 0 | 109.3 | M1463 R1464 T1469 T1476 H1670 P1672 C1750 K1751 | M1463-E1472 CarbonylContact O-C 3.59Å; M1463-E1472 VanDerWaalsContact O-O 3.04Å; R1464-E1472 HydrophobicContact CB-CB 4.26Å; R1464-E1472 HydrophobicContact CG-CB 4.2Å; T1469-E1472 CarbonylContact C-O 3.5Å; T1469-E1472 VanDerWaalsContact CA-O 3.27Å; T1469-E1472 WeakPolarHBondContact CA-O 3.22Å; E1472-T1476 WeakPolarHBondContact OE1-CB 3.38Å; E1472-T1476 PolarHBondContact OE1-OG1 3.4Å; E1472-H1670 IonicContact OE2-CE1 3.3Å; E1472-H1670 IonicContact OE2-NE2 3.48Å; E1472-H1670 PolarHBondContact OE2-NE2 3.01Å; E1472-H1670 VanDerWaalsContact OE2-NE2 3.16Å; E1472-P1672 HydrophobicContact CB-CB 4.43Å; E1472-P1672 HydrophobicContact CB-CG 3.57Å; E1472-P1672 HydrophobicContact CG-CG 4.13Å; E1472-C1750 PolarHBondContact OE2-SG 2.51Å; E1472-K1751 WeakPolarHBondContact OE1-CB 3.41Å; E1472-K1751 PolarHBondContact OE1-N 2.91Å; E1472-K1751 VanDerWaalsContact OE1-N 3.09Å | ||
| 1473 | D | 90.7 | Very high | 89.2 | Confident | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | trans | -129.4 | 173.6 | 172.1 | 68.2 | 52.8 | 0 | 0 | 0 | 111.6 | E1465 T1469 T1475 T1476 G1477 K1751 | E1465-D1473 WeakPolarHBondContact OE2-CB 3.49Å; T1469-D1473 HydrophobicContact CG2-CB 3.55Å; D1473-T1475 VanDerWaalsContact C-N 3.28Å; D1473-T1475 PolarHBondContact O-N 3.45Å; D1473-T1475 WeakPolarHBondContact OD1-CA 3.31Å; D1473-T1475 WeakPolarHBondContact OD1-CB 3.42Å; D1473-T1475 PolarHBondContact OD1-N 2.84Å; D1473-T1476 PolarHBondContact N-OG1 3.18Å; D1473-T1476 PolarHBondContact O-OG1 2.9Å; D1473-T1476 PolarHBondContact OD1-N 3.45Å; D1473-T1476 PolarHBondContact OD1-OG1 3.2Å; D1473-G1477 PolarHBondContact O-N 2.72Å; D1473-K1751 IonicContact OD2-NZ 3.22Å; D1473-K1751 PolarHBondContact OD2-NZ 3.09Å | ||
| 1474 | W | 90.7 | Very high | 89 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | -177.1 | -79.9 | 93.8 | 0 | 0 | 0 | 113.9 | M1463 E1465 T1478 A1491 L1508 S1510 K1512 A1513 F1517 L1519 | M1463-W1474 HydrophobicContact CB-CD2 4.36Å; M1463-W1474 HydrophobicContact CB-CZ2 4.21Å; M1463-W1474 HydrophobicContact CE-CB 4.39Å; M1463-W1474 HydrophobicContact CE-CD2 3.98Å; M1463-W1474 HydrophobicContact CE-CE3 3.68Å; M1463-W1474 HydrophobicContact CE-CG 4.32Å; M1463-W1474 HydrophobicContact CE-CZ3 4.26Å; M1463-W1474 HydrophobicContact CG-CD2 4.23Å; M1463-W1474 HydrophobicContact CG-CE3 4.11Å; M1463-W1474 HydrophobicContact CG-CH2 3.9Å; M1463-W1474 HydrophobicContact CG-CZ2 3.99Å; M1463-W1474 HydrophobicContact CG-CZ3 3.94Å; E1465-W1474 PolarHBondContact O-NE1 2.83Å; E1465-W1474 PolarHBondContact OE2-N 3.03Å; W1474-T1478 HydrophobicContact CE3-CG2 4.25Å; W1474-T1478 WeakPolarHBondContact O-CB 2.99Å; W1474-T1478 WeakPolarHBondContact O-CG2 3.16Å; W1474-T1478 PolarHBondContact O-N 2.75Å; W1474-T1478 PolarHBondContact O-OG1 3.26Å; W1474-A1491 HydrophobicContact CH2-CB 3.77Å; W1474-A1491 HydrophobicContact CZ2-CB 4.28Å; W1474-L1508 HydrophobicContact CZ2-CD2 3.47Å; W1474-L1508 VanDerWaalsContact CZ2-CD2 3.47Å; W1474-L1508 HydrophobicContact CZ2-CG 4.47Å; W1474-S1510 WeakPolarHBondContact CB-OG 3.44Å; W1474-K1512 HydrophobicContact CB-CB 3.89Å; W1474-A1513 HydrophobicContact CE3-CB 4Å; W1474-F1517 HydrophobicContact CH2-CB 4.39Å; W1474-F1517 AromaticContact CH2-CD2 3.69Å; W1474-F1517 HydrophobicContact CH2-CD2 3.69Å; W1474-F1517 HydrophobicContact CH2-CE2 4.1Å; W1474-F1517 HydrophobicContact CH2-CG 4.02Å; W1474-F1517 HydrophobicContact CZ3-CB 3.91Å; W1474-F1517 HydrophobicContact CZ3-CD1 4.02Å; W1474-F1517 AromaticContact CZ3-CD2 3.81Å; W1474-F1517 HydrophobicContact CZ3-CD2 3.81Å; W1474-F1517 HydrophobicContact CZ3-CE2 4.33Å; W1474-F1517 AromaticContact CZ3-CG 3.64Å; W1474-F1517 HydrophobicContact CZ3-CG 3.64Å; W1474-L1519 HydrophobicContact CH2-CD2 4.05Å; W1474-L1519 HydrophobicContact CZ2-CD2 4.34Å |
| 1475 | T | 89.1 | Confident | 89 | Confident | 40 Ų | 40 | 26.8 Ų | 26.8 | 25% | 0.245 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.5 | -51.8 | -179.4 | -53 | 0 | 0 | 0 | 0 | 110.3 | D1473 T1478 R1479 | D1473-T1475 VanDerWaalsContact C-N 3.28Å; D1473-T1475 PolarHBondContact O-N 3.45Å; D1473-T1475 WeakPolarHBondContact OD1-CA 3.31Å; D1473-T1475 WeakPolarHBondContact OD1-CB 3.42Å; D1473-T1475 PolarHBondContact OD1-N 2.84Å; T1475-T1478 PolarHBondContact O-OG1 3.1Å; T1475-R1479 WeakPolarHBondContact O-CB 3.32Å; T1475-R1479 VanDerWaalsContact O-CG 3.26Å; T1475-R1479 WeakPolarHBondContact O-CG 3.46Å; T1475-R1479 PolarHBondContact O-N 2.67Å |
| 1476 | T | 90.9 | Very high | 89.2 | Confident | 31 Ų | 31 | 25.2 Ų | 25.2 | 19% | 0.19 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -43.3 | -175.9 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | E1472 D1473 T1478 R1479 A1480 F1749 K1751 | E1472-T1476 WeakPolarHBondContact OE1-CB 3.38Å; E1472-T1476 PolarHBondContact OE1-OG1 3.4Å; D1473-T1476 PolarHBondContact N-OG1 3.18Å; D1473-T1476 PolarHBondContact O-OG1 2.9Å; D1473-T1476 PolarHBondContact OD1-N 3.45Å; D1473-T1476 PolarHBondContact OD1-OG1 3.2Å; T1476-T1478 PolarHBondContact O-N 2.8Å; T1476-R1479 PolarHBondContact O-N 2.94Å; T1476-A1480 WeakPolarHBondContact O-CB 3.44Å; T1476-A1480 PolarHBondContact O-N 2.94Å; T1476-F1749 WeakPolarHBondContact CB-O 3.37Å; T1476-K1751 HydrophobicContact CG2-CB 4.36Å; T1476-K1751 HydrophobicContact CG2-CD 4.42Å |
| 1477 | G | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1473 A1480 A1481 L1690 | D1473-G1477 PolarHBondContact O-N 2.72Å; G1477-A1480 PolarHBondContact O-N 2.94Å; G1477-A1481 PolarHBondContact O-N 3.45Å; G1477-L1690 WeakPolarHBondContact O-CD2 3.45Å |
| 1478 | T | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -77 | -27.3 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | M1463 W1474 T1475 T1476 A1481 L1482 V1489 A1513 C1514 | M1463-T1478 HydrophobicContact CE-CG2 3.82Å; W1474-T1478 HydrophobicContact CE3-CG2 4.25Å; W1474-T1478 WeakPolarHBondContact O-CB 2.99Å; W1474-T1478 WeakPolarHBondContact O-CG2 3.16Å; W1474-T1478 PolarHBondContact O-N 2.75Å; W1474-T1478 PolarHBondContact O-OG1 3.26Å; T1475-T1478 PolarHBondContact O-OG1 3.1Å; T1476-T1478 PolarHBondContact O-N 2.8Å; T1478-A1481 WeakPolarHBondContact O-CB 3.48Å; T1478-A1481 PolarHBondContact O-N 3.32Å; T1478-L1482 WeakPolarHBondContact O-CG 3.06Å; T1478-L1482 PolarHBondContact O-N 3.09Å; T1478-V1489 HydrophobicContact CG2-CG2 4.45Å; T1478-A1513 HydrophobicContact CG2-CB 4.09Å; T1478-C1514 WeakPolarHBondContact OG1-CB 3.34Å; T1478-C1514 PolarHBondContact OG1-N 3.18Å |
| 1479 | R | 88.3 | Confident | 90 | Very high | 106 Ų | 106 | 20.4 Ų | 20.4 | 40% | 0.4 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 167.5 | -75.6 | 178 | 179.7 | -171.2 | -2.2 | 112 | T1475 T1476 A1481 L1482 A1483 C1514 F1749 | T1475-R1479 WeakPolarHBondContact O-CB 3.32Å; T1475-R1479 VanDerWaalsContact O-CG 3.26Å; T1475-R1479 WeakPolarHBondContact O-CG 3.46Å; T1475-R1479 PolarHBondContact O-N 2.67Å; T1476-R1479 PolarHBondContact O-N 2.94Å; R1479-A1481 VanDerWaalsContact C-N 3.3Å; R1479-L1482 PolarHBondContact O-N 3.36Å; R1479-A1483 WeakPolarHBondContact O-CB 3.32Å; R1479-A1483 PolarHBondContact O-N 2.89Å; R1479-C1514 HydrophobicContact CG-CB 4.33Å; R1479-F1749 HydrophobicContact CB-CB 3.95Å; R1479-F1749 HydrophobicContact CB-CD1 3.82Å; R1479-F1749 HydrophobicContact CB-CE1 4.49Å; R1479-F1749 HydrophobicContact CB-CG 3.85Å |
| 1480 | A | 89.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1476 G1477 G1484 E1691 F1749 | T1476-A1480 WeakPolarHBondContact O-CB 3.44Å; T1476-A1480 PolarHBondContact O-N 2.94Å; G1477-A1480 PolarHBondContact O-N 2.94Å; A1480-G1484 PolarHBondContact O-N 3.5Å; A1480-E1691 HydrophobicContact CB-CB 4.38Å; A1480-E1691 WeakPolarHBondContact O-CA 3.4Å; A1480-F1749 HydrophobicContact CB-CB 4.05Å |
| 1481 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.4 | -54.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1477 T1478 R1479 G1484 G1485 I1486 V1489 L1690 | G1477-A1481 PolarHBondContact O-N 3.45Å; T1478-A1481 WeakPolarHBondContact O-CB 3.48Å; T1478-A1481 PolarHBondContact O-N 3.32Å; R1479-A1481 VanDerWaalsContact C-N 3.3Å; A1481-G1484 CarbonylContact O-C 3.41Å; A1481-G1484 PolarHBondContact O-N 2.91Å; A1481-G1484 VanDerWaalsContact O-N 3.12Å; A1481-G1485 PolarHBondContact O-N 2.77Å; A1481-I1486 CarbonylContact C-O 3.53Å; A1481-I1486 HydrophobicContact CB-CB 4.11Å; A1481-I1486 HydrophobicContact CB-CG2 4.37Å; A1481-I1486 WeakPolarHBondContact O-CA 3.46Å; A1481-I1486 WeakPolarHBondContact O-CB 3.45Å; A1481-I1486 PolarHBondContact O-N 3.31Å; A1481-V1489 HydrophobicContact CB-CG1 3.69Å; A1481-L1690 HydrophobicContact CB-CD1 4.49Å; A1481-L1690 HydrophobicContact CB-CD2 3.71Å; A1481-L1690 HydrophobicContact CB-CG 4.15Å |
| 1482 | L | 87.2 | Confident | 90.4 | Very high | 32 Ų | 32 | 13 Ų | 13 | 17% | 0.168 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55.6 | -58.7 | 177.1 | -70.7 | 174.3 | 0 | 0 | 0 | 109.4 | T1478 R1479 G1484 G1485 I1486 T1487 C1514 C1515 F1768 | T1478-L1482 WeakPolarHBondContact O-CG 3.06Å; T1478-L1482 PolarHBondContact O-N 3.09Å; R1479-L1482 PolarHBondContact O-N 3.36Å; L1482-G1484 PolarHBondContact O-N 3Å; L1482-G1485 PolarHBondContact O-N 2.71Å; L1482-I1486 PolarHBondContact N-O 3.26Å; L1482-T1487 HydrophobicContact CD2-CG2 4.5Å; L1482-C1514 HydrophobicContact CD1-CB 3.93Å; L1482-C1515 HydrophobicContact CD2-CB 3.92Å; L1482-C1515 HydrophobicContact CG-CB 4.14Å; L1482-F1768 HydrophobicContact CD2-CD1 4.49Å; L1482-F1768 WeakPolarHBondContact O-CE1 3.37Å; L1482-F1768 WeakPolarHBondContact O-CE2 3.39Å; L1482-F1768 WeakPolarHBondContact O-CZ 3.34Å |
| 1483 | A | 82.5 | Confident | 90.3 | Very high | 28 Ų | 28 | 13 Ų | 13 | 23% | 0.231 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -52.8 | -32 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1479 G1485 E1691 F1749 | R1479-A1483 WeakPolarHBondContact O-CB 3.32Å; R1479-A1483 PolarHBondContact O-N 2.89Å; A1483-G1485 VanDerWaalsContact C-N 3.32Å; A1483-G1485 PolarHBondContact O-N 3.32Å; A1483-E1691 HydrophobicContact CB-CG 3.77Å; A1483-F1749 HydrophobicContact CB-CD2 3.55Å; A1483-F1749 HydrophobicContact CB-CE2 3.67Å |
| 1484 | G | 86.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 7.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1480 A1481 L1482 L1690 E1691 L1694 | A1480-G1484 PolarHBondContact O-N 3.5Å; A1481-G1484 CarbonylContact O-C 3.41Å; A1481-G1484 PolarHBondContact O-N 2.91Å; A1481-G1484 VanDerWaalsContact O-N 3.12Å; L1482-G1484 PolarHBondContact O-N 3Å; G1484-L1690 WeakPolarHBondContact CA-O 3.45Å; G1484-E1691 VanDerWaalsContact CA-O 3.28Å; G1484-E1691 WeakPolarHBondContact CA-O 3.32Å; G1484-L1694 WeakPolarHBondContact O-CB 3.43Å; G1484-L1694 PolarHBondContact O-N 2.85Å |
| 1485 | G | 86.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 1.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1456 A1481 L1482 A1483 V1733 | L1456-G1485 WeakPolarHBondContact CB-O 3.16Å; A1481-G1485 PolarHBondContact O-N 2.77Å; L1482-G1485 PolarHBondContact O-N 2.71Å; A1483-G1485 VanDerWaalsContact C-N 3.32Å; A1483-G1485 PolarHBondContact O-N 3.32Å; G1485-V1733 WeakPolarHBondContact O-CG2 3.47Å |
| 1486 | I | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.9 | -166.6 | -52.9 | -56 | 0 | 0 | 0 | 110.9 | L1456 D1458 A1481 L1482 M1488 V1489 L1690 M1693 | L1456-I1486 HydrophobicContact CB-CD1 3.88Å; D1458-I1486 HydrophobicContact CB-CD1 4.48Å; D1458-I1486 HydrophobicContact CB-CG1 4.32Å; D1458-I1486 HydrophobicContact CB-CG2 3.73Å; A1481-I1486 CarbonylContact C-O 3.53Å; A1481-I1486 HydrophobicContact CB-CB 4.11Å; A1481-I1486 HydrophobicContact CB-CG2 4.37Å; A1481-I1486 WeakPolarHBondContact O-CA 3.46Å; A1481-I1486 WeakPolarHBondContact O-CB 3.45Å; A1481-I1486 PolarHBondContact O-N 3.31Å; L1482-I1486 PolarHBondContact N-O 3.26Å; I1486-M1488 WeakPolarHBondContact CG2-O 3.22Å; I1486-V1489 HydrophobicContact CG2-CG1 3.88Å; I1486-L1690 HydrophobicContact CG1-CD1 4.23Å; I1486-M1693 HydrophobicContact CD1-CE 3.4Å; I1486-M1693 HydrophobicContact CG1-CE 3.82Å |
| 1487 | T | 90.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -5.8 | -176.9 | 61.6 | 0 | 0 | 0 | 0 | 113 | G1455 L1456 L1482 D1516 Q1728 T1731 V1733 F1768 | G1455-T1487 WeakPolarHBondContact CA-OG1 3.49Å; L1456-T1487 PolarHBondContact N-OG1 2.99Å; L1456-T1487 PolarHBondContact O-N 3.3Å; L1456-T1487 PolarHBondContact O-OG1 3.42Å; L1482-T1487 HydrophobicContact CD2-CG2 4.5Å; T1487-D1516 PolarHBondContact O-N 2.65Å; T1487-Q1728 PolarHBondContact O-NE2 2.96Å; T1487-Q1728 PolarHBondContact OG1-OE1 2.7Å; T1487-T1731 HydrophobicContact CG2-CG2 3.63Å; T1487-V1733 HydrophobicContact CG2-CG2 4.06Å; T1487-F1768 HydrophobicContact CG2-CD1 4.49Å |
| 1488 | M | 92.7 | Very high | 89 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 133.5 | 170.6 | -172.7 | -179.9 | -68.3 | 0 | 0 | 111.6 | L1456 I1457 D1458 I1486 D1516 L1725 P1726 Q1728 | L1456-M1488 PolarHBondContact O-N 2.98Å; I1457-M1488 WeakPolarHBondContact CA-O 3.33Å; I1457-M1488 HydrophobicContact CD1-SD 4.39Å; I1457-M1488 HydrophobicContact CG1-CB 4.19Å; I1457-M1488 HydrophobicContact CG2-CB 4.27Å; I1457-M1488 HydrophobicContact CG2-CG 4.41Å; I1457-M1488 HydrophobicContact CG2-SD 4.5Å; D1458-M1488 PolarHBondContact N-O 3Å; I1486-M1488 WeakPolarHBondContact CG2-O 3.22Å; M1488-D1516 VanDerWaalsContact CA-O 3.23Å; M1488-D1516 WeakPolarHBondContact CA-O 3.4Å; M1488-D1516 HydrophobicContact CB-CB 4.26Å; M1488-D1516 HydrophobicContact CE-CB 3.79Å; M1488-D1516 HydrophobicContact CG-CB 4.07Å; M1488-L1725 HydrophobicContact SD-CB 4.31Å; M1488-L1725 HydrophobicContact SD-CD1 3.99Å; M1488-L1725 HydrophobicContact SD-CD2 4.33Å; M1488-L1725 HydrophobicContact SD-CG 4.43Å; M1488-P1726 HydrophobicContact CE-CG 4.48Å; M1488-Q1728 HydrophobicContact CE-CG 4.29Å |
| 1489 | V | 93.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.8 | 176.8 | -62.2 | 0 | 0 | 0 | 0 | 112 | D1458 V1461 M1463 T1478 A1481 I1486 D1516 F1517 G1518 | D1458-V1489 CarbonylContact O-C 3.57Å; D1458-V1489 WeakPolarHBondContact O-CA 3.49Å; V1461-V1489 HydrophobicContact CB-CB 4.25Å; V1461-V1489 HydrophobicContact CG2-CB 3.95Å; V1461-V1489 HydrophobicContact CG2-CG1 3.96Å; M1463-V1489 HydrophobicContact SD-CG2 4.49Å; T1478-V1489 HydrophobicContact CG2-CG2 4.45Å; A1481-V1489 HydrophobicContact CB-CG1 3.69Å; I1486-V1489 HydrophobicContact CG2-CG1 3.88Å; V1489-D1516 PolarHBondContact N-O 2.88Å; V1489-D1516 VanDerWaalsContact N-O 3.08Å; V1489-F1517 HydrophobicContact CG2-CB 3.91Å; V1489-F1517 CarbonylContact O-C 3.49Å; V1489-F1517 WeakPolarHBondContact O-CA 3.38Å; V1489-F1517 WeakPolarHBondContact O-CB 3.39Å; V1489-G1518 PolarHBondContact O-N 3.26Å |
| 1490 | L | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.9 | 169.7 | -53.9 | -173.3 | 0 | 0 | 0 | 110.3 | D1458 V1459 V1461 G1518 Y1520 A1539 F1723 L1725 | D1458-L1490 PolarHBondContact O-N 3.45Å; V1459-L1490 HydrophobicContact CB-CD1 4Å; V1459-L1490 HydrophobicContact CB-CG 4.49Å; V1459-L1490 HydrophobicContact CG1-CD1 3.91Å; V1459-L1490 HydrophobicContact CG1-CG 4.47Å; V1461-L1490 PolarHBondContact N-O 3.21Å; V1461-L1490 VanDerWaalsContact N-O 3.12Å; L1490-G1518 CarbonylContact C-O 3.58Å; L1490-G1518 WeakPolarHBondContact CA-O 3.28Å; L1490-Y1520 HydrophobicContact CB-CD2 4.4Å; L1490-Y1520 HydrophobicContact CB-CE2 3.53Å; L1490-Y1520 HydrophobicContact CD1-CE1 4.43Å; L1490-Y1520 HydrophobicContact CD1-CE2 4.37Å; L1490-Y1520 WeakPolarHBondContact CD1-OH 3.33Å; L1490-A1539 HydrophobicContact CD1-CB 4Å; L1490-A1539 HydrophobicContact CD2-CB 4.1Å; L1490-F1723 HydrophobicContact CD1-CB 4.2Å; L1490-F1723 HydrophobicContact CD1-CD1 4.01Å; L1490-F1723 HydrophobicContact CD1-CD2 4.15Å; L1490-F1723 HydrophobicContact CD1-CE1 4.45Å; L1490-F1723 HydrophobicContact CD1-CG 3.85Å; L1490-L1725 HydrophobicContact CD1-CD1 4.33Å; L1490-L1725 HydrophobicContact CD2-CD1 4.33Å; L1490-L1725 HydrophobicContact CD2-CD2 4.04Å |
| 1491 | A | 92.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1461 M1463 W1474 G1518 L1519 Y1520 | V1461-A1491 CarbonylContact O-C 3.55Å; V1461-A1491 WeakPolarHBondContact O-CA 3.3Å; M1463-A1491 HydrophobicContact CG-CB 4Å; W1474-A1491 HydrophobicContact CH2-CB 3.77Å; W1474-A1491 HydrophobicContact CZ2-CB 4.28Å; A1491-G1518 PolarHBondContact N-O 3.12Å; A1491-L1519 HydrophobicContact CB-CD2 3.98Å; A1491-Y1520 WeakPolarHBondContact O-CD2 3.44Å; A1491-Y1520 PolarHBondContact O-N 3.06Å |
| 1492 | M | 92.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | trans | -71.4 | 143.4 | 179.3 | -70.8 | -65.5 | 139.2 | 0 | 0 | 112.5 | H1460 V1461 N1494 Y1520 K1542 | H1460-M1492 HydrophobicContact CB-CE 3.96Å; H1460-M1492 WeakPolarHBondContact CD2-CE 3.24Å; H1460-M1492 VanDerWaalsContact CD2-CG 3.41Å; H1460-M1492 WeakPolarHBondContact CD2-CG 3.4Å; H1460-M1492 VanDerWaalsContact CG-CE 3.49Å; V1461-M1492 PolarHBondContact O-N 3.15Å; M1492-N1494 VanDerWaalsContact C-N 3.35Å; M1492-N1494 WeakPolarHBondContact CB-OD1 3.48Å; M1492-N1494 PolarHBondContact O-N 3.15Å; M1492-Y1520 HydrophobicContact CE-CD2 3.54Å; M1492-Y1520 HydrophobicContact CE-CE2 3.22Å; M1492-Y1520 HydrophobicContact SD-CD2 4.08Å; M1492-Y1520 HydrophobicContact SD-CE2 4.36Å; M1492-K1542 HydrophobicContact CE-CD 4.38Å; M1492-K1542 HydrophobicContact SD-CD 3.66Å; M1492-K1542 WeakPolarHBondContact SD-CE 3.47Å; M1492-K1542 HydrophobicContact SD-CG 4.25Å; M1492-K1542 PolarHBondContact SD-NZ 3.28Å | ||
| 1493 | P | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -84.7 | -4.3 | -169.2 | 29.9 | -28.5 | 0 | 0 | 0 | 114.9 | T1495 L1499 K1542 F1544 F1552 | P1493-T1495 PolarHBondContact O-N 2.89Å; P1493-T1495 PolarHBondContact O-OG1 3.32Å; P1493-L1499 HydrophobicContact CB-CB 3.68Å; P1493-L1499 HydrophobicContact CB-CD1 4.47Å; P1493-L1499 PolarHBondContact O-N 3.1Å; P1493-K1542 HydrophobicContact CG-CB 3.59Å; P1493-K1542 HydrophobicContact CG-CG 3.92Å; P1493-F1544 HydrophobicContact CG-CE2 4.46Å; P1493-F1552 HydrophobicContact CB-CE2 4.26Å; P1493-F1552 HydrophobicContact CG-CE2 4.44Å; P1493-F1552 WeakPolarHBondContact O-CE2 3.25Å |
| 1494 | N | 86.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | trans | -76 | 42.9 | -176.3 | 60 | -34.5 | 0 | 0 | 0 | 113.2 | H1462 M1492 F1544 T1550 F1552 | H1462-N1494 PolarHBondContact CE1-ND2 3.39Å; H1462-N1494 PolarHBondContact ND1-ND2 2.88Å; H1462-N1494 PolarHBondContact ND1-OD1 3.18Å; M1492-N1494 VanDerWaalsContact C-N 3.35Å; M1492-N1494 WeakPolarHBondContact CB-OD1 3.48Å; M1492-N1494 PolarHBondContact O-N 3.15Å; N1494-F1544 HydrophobicContact CB-CE2 4.38Å; N1494-F1544 HydrophobicContact CB-CZ 4.06Å; N1494-T1550 HydrophobicContact CB-CG2 3.99Å; N1494-F1552 HydrophobicContact CB-CD2 4.4Å | ||
| 1495 | T | 86.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | trans | -80.5 | 176 | 170.8 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | P1466 P1493 P1497 P1498 L1508 | P1466-T1495 WeakPolarHBondContact O-CB 3.23Å; P1493-T1495 PolarHBondContact O-N 2.89Å; P1493-T1495 PolarHBondContact O-OG1 3.32Å; T1495-P1497 VanDerWaalsContact C-C 3.49Å; T1495-P1497 CarbonylContact C-O 3.52Å; T1495-P1497 VanDerWaalsContact C-O 3.26Å; T1495-P1497 CarbonylContact O-C 3.53Å; T1495-P1497 PolarHBondContact OG1-O 3.41Å; T1495-P1498 WeakPolarHBondContact O-CA 3.26Å; T1495-P1498 VanDerWaalsContact O-N 3.07Å; T1495-L1508 HydrophobicContact CG2-CD1 4.27Å | ||
| 1496 | N | 82.8 | Confident | 84.3 | Confident | 115 Ų | 115 | 30 Ų | 30 | 62% | 0.615 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -125.5 | 108 | 170.2 | -174.2 | 13.5 | 0 | 0 | 0 | 110.1 | P1466 G1467 | P1466-N1496 CarbonylContact C-O 3.15Å; P1466-N1496 PolarHBondContact O-N 2.93Å; G1467-N1496 VanDerWaalsContact CA-O 3.28Å; G1467-N1496 WeakPolarHBondContact CA-O 3.49Å; G1467-N1496 PolarHBondContact N-O 3.11Å |
| 1497 | P | 84.2 | Confident | 82.6 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | S | Bend | cis | -68.2 | 153.8 | 2.7 | 29.5 | -35.8 | 0 | 0 | 0 | 112.9 | T1495 | T1495-P1497 VanDerWaalsContact C-C 3.49Å; T1495-P1497 CarbonylContact C-O 3.52Å; T1495-P1497 VanDerWaalsContact C-O 3.26Å; T1495-P1497 CarbonylContact O-C 3.53Å; T1495-P1497 PolarHBondContact OG1-O 3.41Å |
| 1498 | P | 86 | Confident | 81.3 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | trans | -71.4 | 148.7 | 179 | 23.1 | -28.9 | 0 | 0 | 0 | 112.6 | T1495 D1500 R1504 F1552 | T1495-P1498 WeakPolarHBondContact O-CA 3.26Å; T1495-P1498 VanDerWaalsContact O-N 3.07Å; P1498-D1500 PolarHBondContact O-N 3.18Å; P1498-R1504 WeakPolarHBondContact O-CD 3.3Å; P1498-R1504 PolarHBondContact O-NH1 3.01Å; P1498-F1552 HydrophobicContact CB-CD2 4.3Å; P1498-F1552 HydrophobicContact CB-CE1 4.26Å; P1498-F1552 HydrophobicContact CB-CE2 3.39Å; P1498-F1552 HydrophobicContact CB-CZ 3.38Å; P1498-F1552 HydrophobicContact CG-CZ 4.42Å | ||
| 1499 | L | 87.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | trans | -80.5 | 77.3 | 175.7 | -75.3 | -179.2 | 0 | 0 | 0 | 112.1 | P1493 R1504 L1508 G1522 | P1493-L1499 HydrophobicContact CB-CB 3.68Å; P1493-L1499 HydrophobicContact CB-CD1 4.47Å; P1493-L1499 PolarHBondContact O-N 3.1Å; L1499-R1504 HydrophobicContact CD2-CB 3.88Å; L1499-R1504 WeakPolarHBondContact CD2-O 3.35Å; L1499-L1508 HydrophobicContact CD1-CD1 3.32Å; L1499-L1508 HydrophobicContact CD2-CD1 3.81Å; L1499-L1508 HydrophobicContact CG-CD1 3.63Å; L1499-G1522 PolarHBondContact O-N 3.29Å | ||
| 1500 | D | 86.3 | Confident | 78 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | trans | -115.6 | 5.6 | -173.7 | 64.3 | 3.6 | 0 | 0 | 0 | 114.2 | P1498 R1504 T1524 N1527 L1531 F1552 | P1498-D1500 PolarHBondContact O-N 3.18Å; D1500-R1504 WeakPolarHBondContact OD1-CD 3.45Å; D1500-R1504 IonicContact OD1-CZ 2.77Å; D1500-R1504 IonicContact OD1-NE 3.88Å; D1500-R1504 PolarHBondContact OD1-NE 3.37Å; D1500-R1504 IonicContact OD1-NH1 2.66Å; D1500-R1504 PolarHBondContact OD1-NH1 3.5Å; D1500-R1504 IonicContact OD1-NH2 3.94Å; D1500-R1504 IonicContact OD2-CZ 3.3Å; D1500-R1504 IonicContact OD2-NH1 2.86Å; D1500-R1504 PolarHBondContact OD2-NH1 3.07Å; D1500-R1504 IonicContact OD2-NH2 3.11Å; D1500-T1524 HydrophobicContact CB-CG2 4.17Å; D1500-N1527 PolarHBondContact O-ND2 3.14Å; D1500-L1531 VanDerWaalsContact O-CD2 3.32Å; D1500-L1531 WeakPolarHBondContact O-CD2 3.41Å; D1500-F1552 HydrophobicContact CB-CE1 3.63Å; D1500-F1552 HydrophobicContact CB-CZ 3.87Å | ||
| 1501 | S | 82.7 | Confident | 76.6 | Confident | 21 Ų | 21 | 42 Ų | 42 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -149.6 | 155.7 | -178.8 | 93.2 | 0 | 0 | 0 | 0 | 112.2 | E1503 R1504 | S1501-E1503 VanDerWaalsContact C-N 3.28Å; S1501-E1503 WeakPolarHBondContact CB-OE2 3.3Å; S1501-E1503 PolarHBondContact O-N 3.46Å; S1501-E1503 PolarHBondContact OG-N 3.23Å; S1501-E1503 PolarHBondContact OG-OE2 2.81Å; S1501-R1504 PolarHBondContact O-N 3.21Å |
| 1502 | P | 70.4 | Confident | 76 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -38.4 | 176.5 | -12.1 | 18.6 | 0 | 0 | 0 | 113.4 | R1504 L1505 C1534 | P1502-R1504 PolarHBondContact O-N 3.19Å; P1502-L1505 WeakPolarHBondContact O-CB 3.48Å; P1502-L1505 PolarHBondContact O-N 2.95Å; P1502-L1505 VanDerWaalsContact O-N 3.12Å; P1502-C1534 HydrophobicContact CB-CB 3.91Å; P1502-C1534 HydrophobicContact CG-CB 3.98Å |
| 1503 | E | 72.4 | Confident | 75.7 | Confident | 131 Ų | 131 | 46.7 Ų | 46.7 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.9 | -31.3 | -178.6 | -56.9 | 75.8 | -161.2 | 0 | 0 | 110.9 | S1501 S1506 | S1501-E1503 VanDerWaalsContact C-N 3.28Å; S1501-E1503 WeakPolarHBondContact CB-OE2 3.3Å; S1501-E1503 PolarHBondContact O-N 3.46Å; S1501-E1503 PolarHBondContact OG-N 3.23Å; S1501-E1503 PolarHBondContact OG-OE2 2.81Å; E1503-S1506 PolarHBondContact O-N 3.39Å; E1503-S1506 PolarHBondContact O-OG 2.77Å |
| 1504 | R | 74.8 | Confident | 75.3 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 28% | 0.275 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80 | -18.4 | 179.2 | -62.1 | -173.3 | -177.8 | 165.7 | 11.7 | 114 | P1498 L1499 D1500 S1501 P1502 S1506 L1507 | P1498-R1504 WeakPolarHBondContact O-CD 3.3Å; P1498-R1504 PolarHBondContact O-NH1 3.01Å; L1499-R1504 HydrophobicContact CD2-CB 3.88Å; L1499-R1504 WeakPolarHBondContact CD2-O 3.35Å; D1500-R1504 WeakPolarHBondContact OD1-CD 3.45Å; D1500-R1504 IonicContact OD1-CZ 2.77Å; D1500-R1504 IonicContact OD1-NE 3.88Å; D1500-R1504 PolarHBondContact OD1-NE 3.37Å; D1500-R1504 IonicContact OD1-NH1 2.66Å; D1500-R1504 PolarHBondContact OD1-NH1 3.5Å; D1500-R1504 IonicContact OD1-NH2 3.94Å; D1500-R1504 IonicContact OD2-CZ 3.3Å; D1500-R1504 IonicContact OD2-NH1 2.86Å; D1500-R1504 PolarHBondContact OD2-NH1 3.07Å; D1500-R1504 IonicContact OD2-NH2 3.11Å; S1501-R1504 PolarHBondContact O-N 3.21Å; P1502-R1504 PolarHBondContact O-N 3.19Å; R1504-S1506 PolarHBondContact O-N 3.03Å; R1504-L1507 HydrophobicContact CB-CD1 4.32Å; R1504-L1507 HydrophobicContact CG-CD1 4.16Å; R1504-L1507 WeakPolarHBondContact O-CB 3.31Å; R1504-L1507 PolarHBondContact O-N 3.47Å |
| 1505 | L | 69.3 | Low | 75.3 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -34 | 171.1 | -77.7 | 163.6 | 0 | 0 | 0 | 111 | P1502 L1507 L1508 L1519 L1521 Q1537 | P1502-L1505 WeakPolarHBondContact O-CB 3.48Å; P1502-L1505 PolarHBondContact O-N 2.95Å; P1502-L1505 VanDerWaalsContact O-N 3.12Å; L1505-L1507 VanDerWaalsContact C-N 3.28Å; L1505-L1507 PolarHBondContact O-N 3.5Å; L1505-L1508 PolarHBondContact O-N 3.47Å; L1505-L1519 HydrophobicContact CD2-CB 3.83Å; L1505-L1519 HydrophobicContact CD2-CD1 3.74Å; L1505-L1519 HydrophobicContact CD2-CG 4.45Å; L1505-L1521 HydrophobicContact CD1-CD1 4.25Å; L1505-L1521 HydrophobicContact CD1-CD2 3.97Å; L1505-L1521 HydrophobicContact CD1-CG 4.32Å; L1505-L1521 HydrophobicContact CD2-CD2 4.19Å; L1505-L1521 HydrophobicContact CG-CD2 3.91Å; L1505-Q1537 HydrophobicContact CD1-CB 4.3Å |
| 1506 | S | 61.1 | Low | 75.3 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -68.6 | -24.5 | 177 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | E1503 R1504 L1508 A1509 | E1503-S1506 PolarHBondContact O-N 3.39Å; E1503-S1506 PolarHBondContact O-OG 2.77Å; R1504-S1506 PolarHBondContact O-N 3.03Å; S1506-L1508 PolarHBondContact O-N 2.94Å; S1506-A1509 WeakPolarHBondContact O-CB 3.48Å; S1506-A1509 PolarHBondContact O-N 3.33Å |
| 1507 | L | 57.6 | Low | 75.6 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 60% | 0.597 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -68.8 | -18 | 176.3 | -82.4 | 159.7 | 0 | 0 | 0 | 113.2 | R1504 L1505 | R1504-L1507 HydrophobicContact CB-CD1 4.32Å; R1504-L1507 HydrophobicContact CG-CD1 4.16Å; R1504-L1507 WeakPolarHBondContact O-CB 3.31Å; R1504-L1507 PolarHBondContact O-N 3.47Å; L1505-L1507 VanDerWaalsContact C-N 3.28Å; L1505-L1507 PolarHBondContact O-N 3.5Å |
| 1508 | L | 63.3 | Low | 75.9 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -108.5 | 18.9 | -179 | -92 | 169.9 | 0 | 0 | 0 | 114 | E1465 W1474 T1495 L1499 L1505 S1506 S1510 L1519 | E1465-L1508 WeakPolarHBondContact O-CD2 3.32Å; W1474-L1508 HydrophobicContact CZ2-CD2 3.47Å; W1474-L1508 VanDerWaalsContact CZ2-CD2 3.47Å; W1474-L1508 HydrophobicContact CZ2-CG 4.47Å; T1495-L1508 HydrophobicContact CG2-CD1 4.27Å; L1499-L1508 HydrophobicContact CD1-CD1 3.32Å; L1499-L1508 HydrophobicContact CD2-CD1 3.81Å; L1499-L1508 HydrophobicContact CG-CD1 3.63Å; L1505-L1508 PolarHBondContact O-N 3.47Å; S1506-L1508 PolarHBondContact O-N 2.94Å; L1508-S1510 PolarHBondContact O-N 2.96Å; L1508-L1519 HydrophobicContact CB-CD1 4.08Å; L1508-L1519 HydrophobicContact CB-CD2 4.47Å |
| 1509 | A | 55 | Low | 76.2 | Confident | 54 Ų | 54 | 42 Ų | 42 | 45% | 0.446 | 24% | 0.243 | S | C | . | . | trans | -71.8 | 57.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1506 A1511 L1780 | S1506-A1509 WeakPolarHBondContact O-CB 3.48Å; S1506-A1509 PolarHBondContact O-N 3.33Å; A1509-A1511 PolarHBondContact O-N 2.71Å; A1509-L1780 HydrophobicContact CB-CD1 3.54Å | ||
| 1510 | S | 61.6 | Low | 76.3 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | trans | -74.3 | 107.7 | -167.1 | 177.3 | 0 | 0 | 0 | 0 | 113.2 | W1474 L1508 K1512 A1513 | W1474-S1510 WeakPolarHBondContact CB-OG 3.44Å; L1508-S1510 PolarHBondContact O-N 2.96Å; S1510-K1512 PolarHBondContact O-N 2.8Å; S1510-K1512 VanDerWaalsContact O-N 3.1Å; S1510-K1512 WeakPolarHBondContact OG-CB 3.35Å; S1510-K1512 PolarHBondContact OG-N 3.49Å; S1510-A1513 PolarHBondContact O-N 2.89Å | ||
| 1511 | A | 64.8 | Low | 76.6 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 55% | 0.554 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1509 G1778 | A1509-A1511 PolarHBondContact O-N 2.71Å; A1511-G1778 PolarHBondContact O-N 3.06Å |
| 1512 | K | 80.3 | Confident | 77 | Confident | 101 Ų | 101 | 39.6 Ų | 39.6 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.6 | -177.2 | -58.5 | 178.9 | -176 | 172.8 | 0 | 113.9 | E1465 W1474 S1510 C1514 | E1465-K1512 IonicContact OE1-NZ 3.51Å; E1465-K1512 PolarHBondContact OE1-NZ 3.29Å; E1465-K1512 IonicContact OE2-NZ 3.07Å; W1474-K1512 HydrophobicContact CB-CB 3.89Å; S1510-K1512 PolarHBondContact O-N 2.8Å; S1510-K1512 VanDerWaalsContact O-N 3.1Å; S1510-K1512 WeakPolarHBondContact OG-CB 3.35Å; S1510-K1512 PolarHBondContact OG-N 3.49Å; K1512-C1514 PolarHBondContact O-N 2.84Å |
| 1513 | A | 85.1 | Confident | 78 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | trans | -66.3 | 127.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1474 T1478 S1510 F1517 G1778 | W1474-A1513 HydrophobicContact CE3-CB 4Å; T1478-A1513 HydrophobicContact CG2-CB 4.09Å; S1510-A1513 PolarHBondContact O-N 2.89Å; A1513-F1517 HydrophobicContact CB-CD1 3.79Å; A1513-F1517 HydrophobicContact CB-CE1 3.86Å; A1513-G1778 WeakPolarHBondContact O-CA 3.36Å | ||
| 1514 | C | 83.1 | Confident | 78.8 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -89.8 | -8.8 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | T1478 R1479 L1482 K1512 | T1478-C1514 WeakPolarHBondContact OG1-CB 3.34Å; T1478-C1514 PolarHBondContact OG1-N 3.18Å; R1479-C1514 HydrophobicContact CG-CB 4.33Å; L1482-C1514 HydrophobicContact CD1-CB 3.93Å; K1512-C1514 PolarHBondContact O-N 2.84Å |
| 1515 | C | 85.5 | Confident | 79.2 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -135.8 | 170.2 | 175.1 | 73.6 | 0 | 0 | 0 | 0 | 110.5 | L1482 | L1482-C1515 HydrophobicContact CD2-CB 3.92Å; L1482-C1515 HydrophobicContact CG-CB 4.14Å |
| 1516 | D | 87.4 | Confident | 80 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 156.9 | 176.8 | -72.2 | -20.3 | 0 | 0 | 0 | 110.9 | T1487 M1488 V1489 Q1728 | T1487-D1516 PolarHBondContact O-N 2.65Å; M1488-D1516 VanDerWaalsContact CA-O 3.23Å; M1488-D1516 WeakPolarHBondContact CA-O 3.4Å; M1488-D1516 HydrophobicContact CB-CB 4.26Å; M1488-D1516 HydrophobicContact CE-CB 3.79Å; M1488-D1516 HydrophobicContact CG-CB 4.07Å; V1489-D1516 PolarHBondContact N-O 2.88Å; V1489-D1516 VanDerWaalsContact N-O 3.08Å; D1516-Q1728 PolarHBondContact OD2-NE2 3.23Å |
| 1517 | F | 90 | Very high | 81.4 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 157.6 | 177.9 | 66 | -85.9 | 0 | 0 | 0 | 113 | W1474 V1489 A1513 L1519 | W1474-F1517 HydrophobicContact CH2-CB 4.39Å; W1474-F1517 AromaticContact CH2-CD2 3.69Å; W1474-F1517 HydrophobicContact CH2-CD2 3.69Å; W1474-F1517 HydrophobicContact CH2-CE2 4.1Å; W1474-F1517 HydrophobicContact CH2-CG 4.02Å; W1474-F1517 HydrophobicContact CZ3-CB 3.91Å; W1474-F1517 HydrophobicContact CZ3-CD1 4.02Å; W1474-F1517 AromaticContact CZ3-CD2 3.81Å; W1474-F1517 HydrophobicContact CZ3-CD2 3.81Å; W1474-F1517 HydrophobicContact CZ3-CE2 4.33Å; W1474-F1517 AromaticContact CZ3-CG 3.64Å; W1474-F1517 HydrophobicContact CZ3-CG 3.64Å; V1489-F1517 HydrophobicContact CG2-CB 3.91Å; V1489-F1517 CarbonylContact O-C 3.49Å; V1489-F1517 WeakPolarHBondContact O-CA 3.38Å; V1489-F1517 WeakPolarHBondContact O-CB 3.39Å; A1513-F1517 HydrophobicContact CB-CD1 3.79Å; A1513-F1517 HydrophobicContact CB-CE1 3.86Å; F1517-L1519 HydrophobicContact CD2-CD2 3.88Å; F1517-L1519 HydrophobicContact CD2-CG 4.21Å; F1517-L1519 HydrophobicContact CE2-CD1 4.41Å; F1517-L1519 HydrophobicContact CE2-CD2 4.03Å; F1517-L1519 HydrophobicContact CE2-CG 4.16Å |
| 1518 | G | 90 | Very high | 82.8 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 154.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | V1489 L1490 A1491 | V1489-G1518 PolarHBondContact O-N 3.26Å; L1490-G1518 CarbonylContact C-O 3.58Å; L1490-G1518 WeakPolarHBondContact CA-O 3.28Å; A1491-G1518 PolarHBondContact N-O 3.12Å |
| 1519 | L | 90.8 | Very high | 83.7 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.4 | -178.3 | -58.4 | 179.1 | 0 | 0 | 0 | 110.2 | W1474 A1491 L1505 L1508 F1517 C1538 A1539 | W1474-L1519 HydrophobicContact CH2-CD2 4.05Å; W1474-L1519 HydrophobicContact CZ2-CD2 4.34Å; A1491-L1519 HydrophobicContact CB-CD2 3.98Å; L1505-L1519 HydrophobicContact CD2-CB 3.83Å; L1505-L1519 HydrophobicContact CD2-CD1 3.74Å; L1505-L1519 HydrophobicContact CD2-CG 4.45Å; L1508-L1519 HydrophobicContact CB-CD1 4.08Å; L1508-L1519 HydrophobicContact CB-CD2 4.47Å; F1517-L1519 HydrophobicContact CD2-CD2 3.88Å; F1517-L1519 HydrophobicContact CD2-CG 4.21Å; F1517-L1519 HydrophobicContact CE2-CD1 4.41Å; F1517-L1519 HydrophobicContact CE2-CD2 4.03Å; F1517-L1519 HydrophobicContact CE2-CG 4.16Å; L1519-C1538 CarbonylContact O-C 3.43Å; L1519-C1538 WeakPolarHBondContact O-CA 3.41Å; L1519-C1538 VanDerWaalsContact O-CB 3.23Å; L1519-C1538 WeakPolarHBondContact O-CB 3.43Å; L1519-A1539 PolarHBondContact O-N 3.08Å |
| 1520 | Y | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 154.1 | 164.8 | -66.8 | -65.1 | 0 | 0 | 0 | 111 | V1459 L1490 A1491 M1492 A1539 V1574 F1723 | V1459-Y1520 WeakPolarHBondContact O-CE2 3.37Å; V1459-Y1520 PolarHBondContact O-OH 2.74Å; L1490-Y1520 HydrophobicContact CB-CD2 4.4Å; L1490-Y1520 HydrophobicContact CB-CE2 3.53Å; L1490-Y1520 HydrophobicContact CD1-CE1 4.43Å; L1490-Y1520 HydrophobicContact CD1-CE2 4.37Å; L1490-Y1520 WeakPolarHBondContact CD1-OH 3.33Å; A1491-Y1520 WeakPolarHBondContact O-CD2 3.44Å; A1491-Y1520 PolarHBondContact O-N 3.06Å; M1492-Y1520 HydrophobicContact CE-CD2 3.54Å; M1492-Y1520 HydrophobicContact CE-CE2 3.22Å; M1492-Y1520 HydrophobicContact SD-CD2 4.08Å; M1492-Y1520 HydrophobicContact SD-CE2 4.36Å; Y1520-A1539 HydrophobicContact CD1-CB 4.15Å; Y1520-A1539 HydrophobicContact CE1-CB 3.84Å; Y1520-V1574 HydrophobicContact CD1-CG2 4.16Å; Y1520-V1574 HydrophobicContact CE1-CB 4.4Å; Y1520-V1574 HydrophobicContact CE1-CG2 3.62Å; Y1520-F1723 HydrophobicContact CE1-CD1 4.1Å; Y1520-F1723 AromaticContact CE1-CE1 3.91Å; Y1520-F1723 HydrophobicContact CE1-CE1 3.91Å; Y1520-F1723 AromaticContact CZ-CE1 3.95Å; Y1520-F1723 WeakPolarHBondContact OH-CE1 3.43Å; Y1520-F1723 WeakPolarHBondContact OH-CZ 2.94Å |
| 1521 | L | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.6 | 165.3 | -75.6 | 164.6 | 0 | 0 | 0 | 109.3 | L1505 L1531 C1534 C1538 G1540 L1541 K1542 W1567 | L1505-L1521 HydrophobicContact CD1-CD1 4.25Å; L1505-L1521 HydrophobicContact CD1-CD2 3.97Å; L1505-L1521 HydrophobicContact CD1-CG 4.32Å; L1505-L1521 HydrophobicContact CD2-CD2 4.19Å; L1505-L1521 HydrophobicContact CG-CD2 3.91Å; L1521-L1531 HydrophobicContact CB-CD2 4.35Å; L1521-L1531 HydrophobicContact CD1-CD2 4.23Å; L1521-L1531 HydrophobicContact CD2-CD2 4.25Å; L1521-C1534 HydrophobicContact CD1-CB 4.47Å; L1521-C1534 WeakPolarHBondContact CD1-SG 3.24Å; L1521-C1538 HydrophobicContact CD1-CB 4.09Å; L1521-C1538 HydrophobicContact CG-CB 4.14Å; L1521-G1540 PolarHBondContact N-O 3.12Å; L1521-G1540 VanDerWaalsContact N-O 3.15Å; L1521-L1541 HydrophobicContact CB-CD1 4.49Å; L1521-L1541 CarbonylContact O-C 3.25Å; L1521-L1541 WeakPolarHBondContact O-CA 3.45Å; L1521-K1542 PolarHBondContact O-N 3.44Å; L1521-W1567 HydrophobicContact CD1-CH2 4.33Å |
| 1522 | G | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1499 N1527 F1552 | L1499-G1522 PolarHBondContact O-N 3.29Å; G1522-N1527 PolarHBondContact O-ND2 2.74Å; G1522-F1552 VanDerWaalsContact C-CE1 3.47Å; G1522-F1552 WeakPolarHBondContact O-CE1 3.1Å |
| 1523 | A | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -80 | 132.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1541 K1542 M1543 F1552 L1554 | A1523-L1541 HydrophobicContact CB-CD1 3.96Å; A1523-L1541 HydrophobicContact CB-CD2 4.42Å; A1523-L1541 HydrophobicContact CB-CG 4.19Å; A1523-K1542 PolarHBondContact N-O 3.21Å; A1523-M1543 HydrophobicContact CB-CE 4.4Å; A1523-M1543 HydrophobicContact CB-CG 3.81Å; A1523-F1552 WeakPolarHBondContact O-CD1 3.31Å; A1523-L1554 HydrophobicContact CB-CD1 3.83Å |
| 1524 | T | 88.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 35.2 Ų | 35.2 | 14% | 0.135 | 20% | 0.203 | C | C | . | . | trans | -119.9 | 172.2 | 170.4 | 68.1 | 0 | 0 | 0 | 0 | 109.8 | D1500 L1526 N1527 F1552 H1563 | D1500-T1524 HydrophobicContact CB-CG2 4.17Å; T1524-L1526 PolarHBondContact O-N 2.86Å; T1524-L1526 VanDerWaalsContact O-N 3.12Å; T1524-L1526 PolarHBondContact OG1-N 2.54Å; T1524-N1527 PolarHBondContact N-OD1 3.16Å; T1524-N1527 PolarHBondContact O-OD1 2.94Å; T1524-N1527 PolarHBondContact OG1-N 2.99Å; T1524-N1527 PolarHBondContact OG1-ND2 3.24Å; T1524-N1527 PolarHBondContact OG1-OD1 3.42Å; T1524-F1552 HydrophobicContact CG2-CD1 3.59Å; T1524-F1552 HydrophobicContact CG2-CE1 3.62Å; T1524-H1563 PolarHBondContact O-NE2 3.36Å | ||
| 1525 | E | 85.1 | Confident | 86.7 | Confident | 87 Ų | 87 | 34.2 Ų | 34.2 | 41% | 0.407 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -64.9 | -15 | 178.1 | -62 | -165.4 | 152 | 0 | 0 | 113.8 | L1554 | E1525-L1554 HydrophobicContact CG-CD2 3.87Š|
| 1526 | L | 86.1 | Confident | 86.4 | Confident | 159 Ų | 159 | 38.5 Ų | 38.5 | 83% | 0.832 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -116.1 | -14.4 | -169 | -59.4 | 177.4 | 0 | 0 | 0 | 114.9 | T1524 | T1524-L1526 PolarHBondContact O-N 2.86Å; T1524-L1526 VanDerWaalsContact O-N 3.12Å; T1524-L1526 PolarHBondContact OG1-N 2.54Å |
| 1527 | N | 90.1 | Very high | 86.1 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | trans | -100.5 | 11.3 | -171.4 | 69.9 | -4.7 | 0 | 0 | 0 | 115.4 | D1500 G1522 T1524 D1529 S1530 L1531 H1563 | D1500-N1527 PolarHBondContact O-ND2 3.14Å; G1522-N1527 PolarHBondContact O-ND2 2.74Å; T1524-N1527 PolarHBondContact N-OD1 3.16Å; T1524-N1527 PolarHBondContact O-OD1 2.94Å; T1524-N1527 PolarHBondContact OG1-N 2.99Å; T1524-N1527 PolarHBondContact OG1-ND2 3.24Å; T1524-N1527 PolarHBondContact OG1-OD1 3.42Å; N1527-D1529 PolarHBondContact O-N 3.39Å; N1527-S1530 PolarHBondContact O-N 2.84Å; N1527-S1530 PolarHBondContact O-OG 2.83Å; N1527-L1531 HydrophobicContact CB-CD1 4.47Å; N1527-L1531 HydrophobicContact CB-CG 4.16Å; N1527-L1531 WeakPolarHBondContact ND2-CD1 3.2Å; N1527-L1531 WeakPolarHBondContact O-CG 3.22Å; N1527-L1531 PolarHBondContact O-N 2.66Å; N1527-H1563 PolarHBondContact OD1-CE1 2.64Å; N1527-H1563 PolarHBondContact OD1-NE2 2.83Å | ||
| 1528 | H | 87.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 12% | 0.116 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.9 | -32.9 | -176.7 | 57.6 | 75 | 0 | 0 | 0 | 114.4 | K1562 H1563 A1566 | H1528-K1562 HydrophobicContact CB-CB 4.18Å; H1528-K1562 VanDerWaalsContact NE2-CD 3.33Å; H1528-K1562 WeakPolarHBondContact NE2-CD 3.22Å; H1528-H1563 WeakPolarHBondContact CA-CE1 3.4Å; H1528-H1563 WeakPolarHBondContact CA-ND1 3.21Å; H1528-H1563 PolarHBondContact N-CE1 3.47Å; H1528-A1566 VanDerWaalsContact O-CB 3.3Å; H1528-A1566 WeakPolarHBondContact O-CB 3.5Å |
| 1529 | D | 82.5 | Confident | 86.1 | Confident | 116 Ų | 116 | 42 Ų | 42 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -81.2 | -34.6 | -178.3 | -64.5 | -28.8 | 0 | 0 | 0 | 112.7 | N1527 S1532 | N1527-D1529 PolarHBondContact O-N 3.39Å; D1529-S1532 PolarHBondContact O-OG 3.02Å |
| 1530 | S | 83.5 | Confident | 86.2 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 40% | 0.399 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -79.8 | -36.2 | -174.5 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | N1527 S1532 S1533 | N1527-S1530 PolarHBondContact O-N 2.84Å; N1527-S1530 PolarHBondContact O-OG 2.83Å; S1530-S1532 VanDerWaalsContact C-N 3.33Å; S1530-S1532 PolarHBondContact O-N 3.32Å; S1530-S1533 PolarHBondContact O-N 2.82Å; S1530-S1533 PolarHBondContact O-OG 3.2Å |
| 1531 | L | 87.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -29.2 | -172.3 | -67.9 | -172.5 | 0 | 0 | 0 | 114 | D1500 L1521 N1527 S1533 C1534 A1535 L1541 W1567 | D1500-L1531 VanDerWaalsContact O-CD2 3.32Å; D1500-L1531 WeakPolarHBondContact O-CD2 3.41Å; L1521-L1531 HydrophobicContact CB-CD2 4.35Å; L1521-L1531 HydrophobicContact CD1-CD2 4.23Å; L1521-L1531 HydrophobicContact CD2-CD2 4.25Å; N1527-L1531 HydrophobicContact CB-CD1 4.47Å; N1527-L1531 HydrophobicContact CB-CG 4.16Å; N1527-L1531 WeakPolarHBondContact ND2-CD1 3.2Å; N1527-L1531 WeakPolarHBondContact O-CG 3.22Å; N1527-L1531 PolarHBondContact O-N 2.66Å; L1531-S1533 PolarHBondContact O-N 3.23Å; L1531-S1533 VanDerWaalsContact O-N 3.15Å; L1531-C1534 PolarHBondContact O-N 3.05Å; L1531-C1534 PolarHBondContact O-SG 2.82Å; L1531-A1535 PolarHBondContact O-N 3.37Å; L1531-L1541 HydrophobicContact CD1-CD1 3.39Å; L1531-W1567 HydrophobicContact CB-CE3 4.45Å; L1531-W1567 HydrophobicContact CB-CZ3 3.87Å; L1531-W1567 WeakPolarHBondContact O-CZ3 3.48Å |
| 1532 | S | 80.5 | Confident | 86.5 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -58 | -31.4 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | D1529 S1530 C1534 A1566 | D1529-S1532 PolarHBondContact O-OG 3.02Å; S1530-S1532 VanDerWaalsContact C-N 3.33Å; S1530-S1532 PolarHBondContact O-N 3.32Å; S1532-C1534 VanDerWaalsContact C-N 3.34Å; S1532-C1534 PolarHBondContact O-N 3.03Å; S1532-A1566 WeakPolarHBondContact CB-O 3.27Å |
| 1533 | S | 79.4 | Confident | 86.5 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 64% | 0.643 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -70.2 | -24.9 | -178.2 | 68 | 0 | 0 | 0 | 0 | 114.2 | S1530 L1531 | S1530-S1533 PolarHBondContact O-N 2.82Å; S1530-S1533 PolarHBondContact O-OG 3.2Å; L1531-S1533 PolarHBondContact O-N 3.23Å; L1531-S1533 VanDerWaalsContact O-N 3.15Å |
| 1534 | C | 78.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -109.2 | 7.8 | -178.9 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | P1502 L1521 L1531 S1532 S1536 Q1537 | P1502-C1534 HydrophobicContact CB-CB 3.91Å; P1502-C1534 HydrophobicContact CG-CB 3.98Å; L1521-C1534 HydrophobicContact CD1-CB 4.47Å; L1521-C1534 WeakPolarHBondContact CD1-SG 3.24Å; L1531-C1534 PolarHBondContact O-N 3.05Å; L1531-C1534 PolarHBondContact O-SG 2.82Å; S1532-C1534 VanDerWaalsContact C-N 3.34Å; S1532-C1534 PolarHBondContact O-N 3.03Å; C1534-S1536 PolarHBondContact O-N 3.26Å; C1534-Q1537 WeakPolarHBondContact O-CB 3.27Å; C1534-Q1537 PolarHBondContact O-N 3.47Å |
| 1535 | A | 83.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -56.6 | -24.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1531 Q1537 W1567 P1568 K1571 | L1531-A1535 PolarHBondContact O-N 3.37Å; A1535-Q1537 VanDerWaalsContact C-N 3.29Å; A1535-Q1537 PolarHBondContact O-N 2.89Å; A1535-W1567 HydrophobicContact CB-CE3 4.39Å; A1535-W1567 HydrophobicContact CB-CH2 3.53Å; A1535-W1567 HydrophobicContact CB-CZ2 3.72Å; A1535-W1567 HydrophobicContact CB-CZ3 3.87Å; A1535-P1568 HydrophobicContact CB-CG 3.71Å; A1535-K1571 VanDerWaalsContact O-CE 3.3Å; A1535-K1571 WeakPolarHBondContact O-CE 3.47Å |
| 1536 | S | 80 | Confident | 86.5 | Confident | 97 Ų | 97 | 38.7 Ų | 38.7 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -71 | -22 | 174.9 | 55 | 0 | 0 | 0 | 0 | 113.7 | C1534 | C1534-S1536 PolarHBondContact O-N 3.26Š|
| 1537 | Q | 81.1 | Confident | 85.8 | Confident | 136 Ų | 136 | 36.3 Ų | 36.3 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -94.2 | -1.6 | -176.5 | -59.4 | 180 | 40.1 | 0 | 0 | 113.5 | L1505 C1534 A1535 | L1505-Q1537 HydrophobicContact CD1-CB 4.3Å; C1534-Q1537 WeakPolarHBondContact O-CB 3.27Å; C1534-Q1537 PolarHBondContact O-N 3.47Å; A1535-Q1537 VanDerWaalsContact C-N 3.29Å; A1535-Q1537 PolarHBondContact O-N 2.89Å |
| 1538 | C | 88.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -124.8 | 163.6 | -179.5 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | L1519 L1521 K1571 | L1519-C1538 CarbonylContact O-C 3.43Å; L1519-C1538 WeakPolarHBondContact O-CA 3.41Å; L1519-C1538 VanDerWaalsContact O-CB 3.23Å; L1519-C1538 WeakPolarHBondContact O-CB 3.43Å; L1521-C1538 HydrophobicContact CD1-CB 4.09Å; L1521-C1538 HydrophobicContact CG-CB 4.14Å; C1538-K1571 PolarHBondContact O-NZ 2.97Å |
| 1539 | A | 90.2 | Very high | 83.4 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -75 | -27.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1490 L1519 Y1520 P1572 | L1490-A1539 HydrophobicContact CD1-CB 4Å; L1490-A1539 HydrophobicContact CD2-CB 4.1Å; L1519-A1539 PolarHBondContact O-N 3.08Å; Y1520-A1539 HydrophobicContact CD1-CB 4.15Å; Y1520-A1539 HydrophobicContact CE1-CB 3.84Å; A1539-P1572 WeakPolarHBondContact O-CD 3.17Å |
| 1540 | G | 92.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -178 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1521 P1572 | L1521-G1540 PolarHBondContact N-O 3.12Å; L1521-G1540 VanDerWaalsContact N-O 3.15Å; G1540-P1572 WeakPolarHBondContact CA-O 3.47Å |
| 1541 | L | 94.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.6 | 176.5 | 179.7 | 68.8 | 0 | 0 | 0 | 110.1 | L1521 A1523 L1531 M1543 H1563 W1567 P1572 I1573 V1574 | L1521-L1541 HydrophobicContact CB-CD1 4.49Å; L1521-L1541 CarbonylContact O-C 3.25Å; L1521-L1541 WeakPolarHBondContact O-CA 3.45Å; A1523-L1541 HydrophobicContact CB-CD1 3.96Å; A1523-L1541 HydrophobicContact CB-CD2 4.42Å; A1523-L1541 HydrophobicContact CB-CG 4.19Å; L1531-L1541 HydrophobicContact CD1-CD1 3.39Å; L1541-M1543 HydrophobicContact CD2-CE 3.57Å; L1541-M1543 HydrophobicContact CG-CE 4.31Å; L1541-H1563 HydrophobicContact CD2-CB 4.14Å; L1541-W1567 HydrophobicContact CB-CD2 3.71Å; L1541-W1567 VanDerWaalsContact CB-CE2 3.48Å; L1541-W1567 HydrophobicContact CB-CE3 4.05Å; L1541-W1567 HydrophobicContact CB-CG 4.29Å; L1541-W1567 HydrophobicContact CB-CH2 3.97Å; L1541-W1567 HydrophobicContact CB-CZ2 3.64Å; L1541-W1567 HydrophobicContact CB-CZ3 4.17Å; L1541-W1567 HydrophobicContact CD1-CE3 4.28Å; L1541-W1567 HydrophobicContact CD1-CH2 4.44Å; L1541-W1567 HydrophobicContact CD1-CZ3 4.13Å; L1541-W1567 HydrophobicContact CD2-CB 4.29Å; L1541-W1567 HydrophobicContact CD2-CD2 3.86Å; L1541-W1567 HydrophobicContact CD2-CE3 3.88Å; L1541-W1567 HydrophobicContact CD2-CG 4.06Å; L1541-W1567 HydrophobicContact CG-CD2 4.32Å; L1541-W1567 HydrophobicContact CG-CE3 4.31Å; L1541-P1572 PolarHBondContact N-O 3.12Å; L1541-P1572 VanDerWaalsContact N-O 3.1Å; L1541-I1573 CarbonylContact O-C 3.53Å; L1541-V1574 PolarHBondContact O-N 2.81Å |
| 1542 | K | 94.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.3 | 176.4 | -172.4 | 73.1 | 178 | -158.9 | 0 | 111.1 | H1460 M1492 P1493 L1521 A1523 F1544 V1574 C1599 | H1460-K1542 PolarHBondContact CE1-NZ 2.89Å; H1460-K1542 PolarHBondContact NE2-NZ 3.4Å; M1492-K1542 HydrophobicContact CE-CD 4.38Å; M1492-K1542 HydrophobicContact SD-CD 3.66Å; M1492-K1542 WeakPolarHBondContact SD-CE 3.47Å; M1492-K1542 HydrophobicContact SD-CG 4.25Å; M1492-K1542 PolarHBondContact SD-NZ 3.28Å; P1493-K1542 HydrophobicContact CG-CB 3.59Å; P1493-K1542 HydrophobicContact CG-CG 3.92Å; L1521-K1542 PolarHBondContact O-N 3.44Å; A1523-K1542 PolarHBondContact N-O 3.21Å; K1542-F1544 HydrophobicContact CD-CZ 4.44Å; K1542-F1544 HydrophobicContact CG-CD2 4.17Å; K1542-F1544 HydrophobicContact CG-CE2 3.55Å; K1542-F1544 HydrophobicContact CG-CZ 3.81Å; K1542-V1574 CarbonylContact C-O 3.58Å; K1542-V1574 VanDerWaalsContact CA-O 3.23Å; K1542-V1574 WeakPolarHBondContact CA-O 3.24Å; K1542-V1574 HydrophobicContact CD-CB 4.16Å; K1542-V1574 HydrophobicContact CD-CG1 3.83Å; K1542-C1599 PolarHBondContact NZ-SG 3.05Å |
| 1543 | M | 92.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.9 | 172.1 | -63 | -173.6 | 179.2 | 0 | 0 | 110.3 | A1523 L1541 L1545 L1554 I1560 H1563 F1564 I1573 V1574 A1575 H1576 | A1523-M1543 HydrophobicContact CB-CE 4.4Å; A1523-M1543 HydrophobicContact CB-CG 3.81Å; L1541-M1543 HydrophobicContact CD2-CE 3.57Å; L1541-M1543 HydrophobicContact CG-CE 4.31Å; M1543-L1545 HydrophobicContact CB-CD2 4.16Å; M1543-L1554 HydrophobicContact CB-CD1 4.24Å; M1543-L1554 HydrophobicContact CG-CD1 4.08Å; M1543-L1554 HydrophobicContact SD-CD1 4.3Å; M1543-I1560 HydrophobicContact SD-CG2 4Å; M1543-H1563 HydrophobicContact CE-CB 3.27Å; M1543-F1564 HydrophobicContact CE-CD2 4.28Å; M1543-F1564 HydrophobicContact CE-CE2 4.31Å; M1543-F1564 HydrophobicContact SD-CE2 4.15Å; M1543-I1573 HydrophobicContact CE-CD1 4.37Å; M1543-I1573 HydrophobicContact CE-CG2 3.68Å; M1543-I1573 HydrophobicContact CG-CG2 4.05Å; M1543-I1573 HydrophobicContact SD-CG2 3.64Å; M1543-V1574 PolarHBondContact N-O 2.74Å; M1543-A1575 HydrophobicContact CB-CB 4.48Å; M1543-A1575 WeakPolarHBondContact O-CA 3.4Å; M1543-H1576 PolarHBondContact O-N 3.46Å |
| 1544 | F | 90.6 | Very high | 81.4 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 105.3 | 171.8 | -63.8 | -92 | 0 | 0 | 0 | 108.5 | P1493 N1494 K1542 T1548 F1552 Q1553 L1554 H1576 | P1493-F1544 HydrophobicContact CG-CE2 4.46Å; N1494-F1544 HydrophobicContact CB-CE2 4.38Å; N1494-F1544 HydrophobicContact CB-CZ 4.06Å; K1542-F1544 HydrophobicContact CD-CZ 4.44Å; K1542-F1544 HydrophobicContact CG-CD2 4.17Å; K1542-F1544 HydrophobicContact CG-CE2 3.55Å; K1542-F1544 HydrophobicContact CG-CZ 3.81Å; F1544-T1548 HydrophobicContact CB-CG2 3.63Å; F1544-T1548 HydrophobicContact CD1-CG2 4.27Å; F1544-T1548 VanDerWaalsContact CD1-OG1 3.26Å; F1544-T1548 WeakPolarHBondContact CD1-OG1 3.46Å; F1544-T1548 HydrophobicContact CD2-CG2 4.42Å; F1544-T1548 WeakPolarHBondContact CE1-OG1 3.36Å; F1544-T1548 HydrophobicContact CG-CG2 3.88Å; F1544-F1552 HydrophobicContact CD2-CB 3.63Å; F1544-F1552 HydrophobicContact CD2-CD2 4.32Å; F1544-F1552 HydrophobicContact CD2-CG 4.28Å; F1544-F1552 HydrophobicContact CE2-CB 4.23Å; F1544-F1552 HydrophobicContact CE2-CD2 4.06Å; F1544-F1552 HydrophobicContact CE2-CG 4.46Å; F1544-F1552 HydrophobicContact CG-CB 4.42Å; F1544-Q1553 WeakPolarHBondContact O-CA 3.12Å; F1544-L1554 PolarHBondContact O-N 3.27Å; F1544-H1576 HydrophobicContact CD1-CB 3.98Å |
| 1545 | L | 89.2 | Confident | 81.5 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | trans | -92.1 | -12.5 | -178 | -53.6 | -168.9 | 0 | 0 | 0 | 112.8 | M1543 L1554 I1560 H1576 A1577 T1581 L1585 | M1543-L1545 HydrophobicContact CB-CD2 4.16Å; L1545-L1554 HydrophobicContact CD2-CB 4.17Å; L1545-I1560 HydrophobicContact CD2-CD1 3.57Å; L1545-I1560 HydrophobicContact CD2-CG1 4.06Å; L1545-H1576 WeakPolarHBondContact CB-O 3.5Å; L1545-H1576 PolarHBondContact N-O 3.44Å; L1545-A1577 HydrophobicContact CB-CB 4.47Å; L1545-A1577 HydrophobicContact CD1-CB 4.14Å; L1545-T1581 HydrophobicContact CB-CG2 4.47Å; L1545-L1585 HydrophobicContact CD1-CB 4.28Å; L1545-L1585 HydrophobicContact CD1-CD1 4.22Å | ||
| 1546 | N | 85.5 | Confident | 81.2 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -121 | -173.5 | 175.1 | -65.1 | 69.5 | 0 | 0 | 0 | 109 | T1548 Q1553 A1577 E1578 T1581 | N1546-T1548 PolarHBondContact O-N 3.47Å; N1546-Q1553 WeakPolarHBondContact O-CG 3.43Å; N1546-A1577 WeakPolarHBondContact OD1-CA 3.25Å; N1546-E1578 HydrophobicContact CB-CG 4.5Å; N1546-E1578 WeakPolarHBondContact CB-OE1 3.14Å; N1546-E1578 PolarHBondContact OD1-N 3.08Å; N1546-E1578 VanDerWaalsContact OD1-N 3.13Å; N1546-T1581 PolarHBondContact OD1-OG1 2.88Å |
| 1547 | D | 69.6 | Low | 81.1 | Confident | 109 Ų | 109 | 45.8 Ų | 45.8 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | trans | -57.8 | 133.8 | -173.9 | -68 | -20.5 | 0 | 0 | 0 | 111.8 | Q1553 | D1547-Q1553 PolarHBondContact OD1-NE2 2.93Š| ||
| 1548 | T | 65.5 | Low | 81.1 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | trans | -139.5 | 162.6 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 110 | F1544 N1546 T1550 F1552 Q1553 | F1544-T1548 HydrophobicContact CB-CG2 3.63Å; F1544-T1548 HydrophobicContact CD1-CG2 4.27Å; F1544-T1548 VanDerWaalsContact CD1-OG1 3.26Å; F1544-T1548 WeakPolarHBondContact CD1-OG1 3.46Å; F1544-T1548 HydrophobicContact CD2-CG2 4.42Å; F1544-T1548 WeakPolarHBondContact CE1-OG1 3.36Å; F1544-T1548 HydrophobicContact CG-CG2 3.88Å; N1546-T1548 PolarHBondContact O-N 3.47Å; T1548-T1550 PolarHBondContact O-N 3.12Å; T1548-F1552 HydrophobicContact CG2-CB 4.2Å; T1548-Q1553 HydrophobicContact CG2-CB 4.01Å | ||
| 1549 | Y | 62.3 | Low | 80.8 | Confident | 132 Ų | 132 | 46.5 Ų | 46.5 | 52% | 0.518 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -75.9 | -4.5 | -172.1 | -152.4 | -96.9 | 0 | 0 | 0 | 113.7 | L1684 | Y1549-L1684 HydrophobicContact CE2-CD2 3.92Š|
| 1550 | T | 63.9 | Low | 80.7 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -134.8 | -177.4 | -172.7 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | N1494 T1548 F1552 | N1494-T1550 HydrophobicContact CB-CG2 3.99Å; T1548-T1550 PolarHBondContact O-N 3.12Å; T1550-F1552 PolarHBondContact O-N 3.14Å; T1550-F1552 WeakPolarHBondContact OG1-CD2 3.4Å |
| 1551 | S | 63.5 | Low | 80.6 | Confident | 94 Ų | 94 | 47.5 Ų | 47.5 | 66% | 0.657 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 8 | 175 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | Q1553 | S1551-Q1553 PolarHBondContact O-N 2.89Š|
| 1552 | F | 78.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.6 | -175.9 | -75.6 | -47.1 | 0 | 0 | 0 | 115.6 | P1493 N1494 P1498 D1500 G1522 A1523 T1524 F1544 T1548 T1550 L1554 | P1493-F1552 HydrophobicContact CB-CE2 4.26Å; P1493-F1552 HydrophobicContact CG-CE2 4.44Å; P1493-F1552 WeakPolarHBondContact O-CE2 3.25Å; N1494-F1552 HydrophobicContact CB-CD2 4.4Å; P1498-F1552 HydrophobicContact CB-CD2 4.3Å; P1498-F1552 HydrophobicContact CB-CE1 4.26Å; P1498-F1552 HydrophobicContact CB-CE2 3.39Å; P1498-F1552 HydrophobicContact CB-CZ 3.38Å; P1498-F1552 HydrophobicContact CG-CZ 4.42Å; D1500-F1552 HydrophobicContact CB-CE1 3.63Å; D1500-F1552 HydrophobicContact CB-CZ 3.87Å; G1522-F1552 VanDerWaalsContact C-CE1 3.47Å; G1522-F1552 WeakPolarHBondContact O-CE1 3.1Å; A1523-F1552 WeakPolarHBondContact O-CD1 3.31Å; T1524-F1552 HydrophobicContact CG2-CD1 3.59Å; T1524-F1552 HydrophobicContact CG2-CE1 3.62Å; F1544-F1552 HydrophobicContact CD2-CB 3.63Å; F1544-F1552 HydrophobicContact CD2-CD2 4.32Å; F1544-F1552 HydrophobicContact CD2-CG 4.28Å; F1544-F1552 HydrophobicContact CE2-CB 4.23Å; F1544-F1552 HydrophobicContact CE2-CD2 4.06Å; F1544-F1552 HydrophobicContact CE2-CG 4.46Å; F1544-F1552 HydrophobicContact CG-CB 4.42Å; T1548-F1552 HydrophobicContact CG2-CB 4.2Å; T1550-F1552 PolarHBondContact O-N 3.14Å; T1550-F1552 WeakPolarHBondContact OG1-CD2 3.4Å; F1552-L1554 PolarHBondContact O-N 3.3Å |
| 1553 | Q | 82.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -64.4 | 112.3 | -178.9 | -168.8 | 175.5 | 24.4 | 0 | 0 | 110.9 | F1544 N1546 D1547 T1548 S1551 K1555 | F1544-Q1553 WeakPolarHBondContact O-CA 3.12Å; N1546-Q1553 WeakPolarHBondContact O-CG 3.43Å; D1547-Q1553 PolarHBondContact OD1-NE2 2.93Å; T1548-Q1553 HydrophobicContact CG2-CB 4.01Å; S1551-Q1553 PolarHBondContact O-N 2.89Å; Q1553-K1555 HydrophobicContact CG-CG 4.11Å; Q1553-K1555 PolarHBondContact O-N 2.7Å |
| 1554 | L | 83.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | trans | -90.9 | 103.4 | 176.7 | -69.6 | 175.5 | 0 | 0 | 0 | 109.8 | A1523 E1525 M1543 F1544 L1545 F1552 I1560 | A1523-L1554 HydrophobicContact CB-CD1 3.83Å; E1525-L1554 HydrophobicContact CG-CD2 3.87Å; M1543-L1554 HydrophobicContact CB-CD1 4.24Å; M1543-L1554 HydrophobicContact CG-CD1 4.08Å; M1543-L1554 HydrophobicContact SD-CD1 4.3Å; F1544-L1554 PolarHBondContact O-N 3.27Å; L1545-L1554 HydrophobicContact CD2-CB 4.17Å; F1552-L1554 PolarHBondContact O-N 3.3Å; L1554-I1560 HydrophobicContact CB-CD1 4.47Å; L1554-I1560 HydrophobicContact CB-CG1 4.02Å; L1554-I1560 HydrophobicContact CD1-CG1 4.25Å | ||
| 1555 | K | 79 | Confident | 80.2 | Confident | 158 Ų | 158 | 59.5 Ų | 59.5 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | trans | -91.1 | -26.1 | 179.2 | -62.7 | -176.3 | -179.4 | 179.8 | 0 | 113 | Q1553 | Q1553-K1555 HydrophobicContact CG-CG 4.11Å; Q1553-K1555 PolarHBondContact O-N 2.7Å | ||
| 1556 | N | 78.4 | Confident | 80.2 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | trans | -93.4 | 116.2 | -173.7 | -173.8 | -18.6 | 0 | 0 | 0 | 112.6 | M1558 S1559 I1560 | N1556-M1558 VanDerWaalsContact C-N 3.26Å; N1556-M1558 PolarHBondContact O-N 3.49Å; N1556-M1558 WeakPolarHBondContact OD1-CB 3.11Å; N1556-M1558 PolarHBondContact OD1-N 2.97Å; N1556-S1559 WeakPolarHBondContact O-CB 3.5Å; N1556-S1559 PolarHBondContact O-N 3Å; N1556-I1560 PolarHBondContact O-N 3.31Å | ||
| 1557 | T | 76.6 | Confident | 80.5 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.9 | -33 | 178.1 | -38.8 | 0 | 0 | 0 | 0 | 113.5 | I1560 A1561 L1588 | T1557-I1560 PolarHBondContact O-N 3.35Å; T1557-A1561 WeakPolarHBondContact O-CB 3.38Å; T1557-A1561 PolarHBondContact O-N 2.88Å; T1557-L1588 HydrophobicContact CG2-CD1 4.45Å |
| 1558 | M | 81.5 | Confident | 81.3 | Confident | 145 Ų | 145 | 56 Ų | 56 | 71% | 0.714 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.8 | -39.1 | 174.8 | -82.8 | 179.6 | 148.2 | 0 | 0 | 111.8 | N1556 A1561 K1562 | N1556-M1558 VanDerWaalsContact C-N 3.26Å; N1556-M1558 PolarHBondContact O-N 3.49Å; N1556-M1558 WeakPolarHBondContact OD1-CB 3.11Å; N1556-M1558 PolarHBondContact OD1-N 2.97Å; M1558-A1561 PolarHBondContact O-N 3.21Å; M1558-K1562 WeakPolarHBondContact O-CG 3.49Å; M1558-K1562 PolarHBondContact O-N 3.4Å |
| 1559 | S | 82.6 | Confident | 82.1 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | N1556 K1562 H1563 | N1556-S1559 WeakPolarHBondContact O-CB 3.5Å; N1556-S1559 PolarHBondContact O-N 3Å; S1559-K1562 PolarHBondContact O-N 2.85Å; S1559-H1563 PolarHBondContact O-CD2 3.31Å; S1559-H1563 PolarHBondContact O-N 3.27Å |
| 1560 | I | 88.3 | Confident | 83 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 173.7 | -56.2 | 168 | 0 | 0 | 0 | 110.1 | M1543 L1545 L1554 N1556 T1557 K1562 H1563 F1564 L1588 | M1543-I1560 HydrophobicContact SD-CG2 4Å; L1545-I1560 HydrophobicContact CD2-CD1 3.57Å; L1545-I1560 HydrophobicContact CD2-CG1 4.06Å; L1554-I1560 HydrophobicContact CB-CD1 4.47Å; L1554-I1560 HydrophobicContact CB-CG1 4.02Å; L1554-I1560 HydrophobicContact CD1-CG1 4.25Å; N1556-I1560 PolarHBondContact O-N 3.31Å; T1557-I1560 PolarHBondContact O-N 3.35Å; I1560-K1562 VanDerWaalsContact C-N 3.27Å; I1560-K1562 PolarHBondContact O-N 3.49Å; I1560-H1563 WeakPolarHBondContact O-CB 3.25Å; I1560-H1563 PolarHBondContact O-N 2.89Å; I1560-H1563 VanDerWaalsContact O-N 3.11Å; I1560-F1564 HydrophobicContact CG2-CD2 3.89Å; I1560-F1564 HydrophobicContact CG2-CE2 3.77Å; I1560-F1564 WeakPolarHBondContact O-CD2 3.26Å; I1560-F1564 PolarHBondContact O-N 3.01Å; I1560-L1588 HydrophobicContact CB-CD1 4.12Å; I1560-L1588 HydrophobicContact CG2-CD1 3.49Å; I1560-L1588 VanDerWaalsContact CG2-CD1 3.49Å |
| 1561 | A | 89 | Confident | 84.1 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1557 M1558 F1564 K1565 L1588 Y1592 | T1557-A1561 WeakPolarHBondContact O-CB 3.38Å; T1557-A1561 PolarHBondContact O-N 2.88Å; M1558-A1561 PolarHBondContact O-N 3.21Å; A1561-F1564 PolarHBondContact O-N 3.15Å; A1561-K1565 PolarHBondContact O-N 3.09Å; A1561-L1588 HydrophobicContact CB-CD2 4.17Å; A1561-Y1592 HydrophobicContact CB-CE2 3.96Å |
| 1562 | K | 91.1 | Very high | 85.6 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 173.5 | -71.5 | -179.3 | -175.5 | 180 | 0 | 112.2 | H1528 M1558 S1559 I1560 K1565 A1566 | H1528-K1562 HydrophobicContact CB-CB 4.18Å; H1528-K1562 VanDerWaalsContact NE2-CD 3.33Å; H1528-K1562 WeakPolarHBondContact NE2-CD 3.22Å; M1558-K1562 WeakPolarHBondContact O-CG 3.49Å; M1558-K1562 PolarHBondContact O-N 3.4Å; S1559-K1562 PolarHBondContact O-N 2.85Å; I1560-K1562 VanDerWaalsContact C-N 3.27Å; I1560-K1562 PolarHBondContact O-N 3.49Å; K1562-K1565 WeakPolarHBondContact O-CB 3.35Å; K1562-K1565 PolarHBondContact O-N 2.87Å; K1562-A1566 WeakPolarHBondContact O-CB 3.16Å; K1562-A1566 PolarHBondContact O-N 3.42Å |
| 1563 | H | 93.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 174.4 | -80.4 | -74.8 | 0 | 0 | 0 | 112.2 | T1524 N1527 H1528 L1541 M1543 S1559 I1560 K1565 A1566 W1567 | T1524-H1563 PolarHBondContact O-NE2 3.36Å; N1527-H1563 PolarHBondContact OD1-CE1 2.64Å; N1527-H1563 PolarHBondContact OD1-NE2 2.83Å; H1528-H1563 WeakPolarHBondContact CA-CE1 3.4Å; H1528-H1563 WeakPolarHBondContact CA-ND1 3.21Å; H1528-H1563 PolarHBondContact N-CE1 3.47Å; L1541-H1563 HydrophobicContact CD2-CB 4.14Å; M1543-H1563 HydrophobicContact CE-CB 3.27Å; S1559-H1563 PolarHBondContact O-CD2 3.31Å; S1559-H1563 PolarHBondContact O-N 3.27Å; I1560-H1563 WeakPolarHBondContact O-CB 3.25Å; I1560-H1563 PolarHBondContact O-N 2.89Å; I1560-H1563 VanDerWaalsContact O-N 3.11Å; H1563-K1565 PolarHBondContact O-N 3.37Å; H1563-A1566 PolarHBondContact O-N 3.23Å; H1563-W1567 VanDerWaalsContact O-CB 3.28Å; H1563-W1567 WeakPolarHBondContact O-CB 3.38Å; H1563-W1567 PolarHBondContact O-N 3.42Å |
| 1564 | F | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.5 | -36.4 | 174.7 | -90.7 | -105.9 | 0 | 0 | 0 | 112.6 | M1543 I1560 A1561 I1573 L1585 L1588 V1589 Y1592 R1594 V1596 | M1543-F1564 HydrophobicContact CE-CD2 4.28Å; M1543-F1564 HydrophobicContact CE-CE2 4.31Å; M1543-F1564 HydrophobicContact SD-CE2 4.15Å; I1560-F1564 HydrophobicContact CG2-CD2 3.89Å; I1560-F1564 HydrophobicContact CG2-CE2 3.77Å; I1560-F1564 WeakPolarHBondContact O-CD2 3.26Å; I1560-F1564 PolarHBondContact O-N 3.01Å; A1561-F1564 PolarHBondContact O-N 3.15Å; F1564-I1573 HydrophobicContact CD1-CD1 3.92Å; F1564-I1573 HydrophobicContact CD2-CD1 3.84Å; F1564-I1573 HydrophobicContact CE1-CD1 4.01Å; F1564-I1573 HydrophobicContact CE2-CD1 3.92Å; F1564-I1573 HydrophobicContact CE2-CG2 4.28Å; F1564-I1573 HydrophobicContact CG-CD1 3.84Å; F1564-I1573 HydrophobicContact CZ-CD1 4.01Å; F1564-I1573 HydrophobicContact CZ-CG2 4.44Å; F1564-L1585 HydrophobicContact CE2-CD1 4.06Å; F1564-L1585 HydrophobicContact CZ-CD1 3.63Å; F1564-L1588 HydrophobicContact CD1-CB 4.48Å; F1564-L1588 HydrophobicContact CE1-CB 4.23Å; F1564-L1588 HydrophobicContact CE2-CD1 4.4Å; F1564-L1588 HydrophobicContact CZ-CB 4.25Å; F1564-V1589 HydrophobicContact CE1-CG2 4.27Å; F1564-Y1592 HydrophobicContact CB-CD1 4.28Å; F1564-Y1592 HydrophobicContact CB-CD2 3.74Å; F1564-Y1592 HydrophobicContact CB-CE2 4.25Å; F1564-Y1592 HydrophobicContact CB-CG 3.77Å; F1564-Y1592 HydrophobicContact CD1-CD2 4.17Å; F1564-Y1592 HydrophobicContact CD1-CG 4.28Å; F1564-Y1592 HydrophobicContact CG-CD2 4.2Å; F1564-Y1592 HydrophobicContact CG-CG 4.45Å; F1564-R1594 HydrophobicContact CD1-CB 3.99Å; F1564-R1594 HydrophobicContact CD1-CG 3.99Å; F1564-R1594 HydrophobicContact CE1-CB 4.26Å; F1564-R1594 WeakPolarHBondContact O-CG 3.23Å; F1564-R1594 PolarHBondContact O-NE 2.87Å; F1564-V1596 HydrophobicContact CE1-CG2 3.69Å; F1564-V1596 HydrophobicContact CZ-CG2 3.7Å |
| 1565 | K | 88 | Confident | 87.6 | Confident | 155 Ų | 155 | 48.8 Ų | 48.8 | 67% | 0.674 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.9 | -45.1 | 176.8 | -166.7 | 177.4 | -179.5 | -178.1 | 0 | 111.7 | A1561 K1562 H1563 Y1592 R1594 | A1561-K1565 PolarHBondContact O-N 3.09Å; K1562-K1565 WeakPolarHBondContact O-CB 3.35Å; K1562-K1565 PolarHBondContact O-N 2.87Å; H1563-K1565 PolarHBondContact O-N 3.37Å; K1565-Y1592 HydrophobicContact CB-CE1 4.12Å; K1565-R1594 PolarHBondContact O-NH2 2.89Å; K1565-R1594 VanDerWaalsContact O-NH2 3.11Å |
| 1566 | A | 89.2 | Confident | 88.2 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -79.8 | -32.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H1528 S1532 K1562 H1563 | H1528-A1566 VanDerWaalsContact O-CB 3.3Å; H1528-A1566 WeakPolarHBondContact O-CB 3.5Å; S1532-A1566 WeakPolarHBondContact CB-O 3.27Å; K1562-A1566 WeakPolarHBondContact O-CB 3.16Å; K1562-A1566 PolarHBondContact O-N 3.42Å; H1563-A1566 PolarHBondContact O-N 3.23Å |
| 1567 | W | 92.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -70.5 | 137.2 | -175.5 | -162.9 | -110.2 | 0 | 0 | 0 | 112.1 | L1521 L1531 A1535 L1541 H1563 K1571 I1573 R1594 | L1521-W1567 HydrophobicContact CD1-CH2 4.33Å; L1531-W1567 HydrophobicContact CB-CE3 4.45Å; L1531-W1567 HydrophobicContact CB-CZ3 3.87Å; L1531-W1567 WeakPolarHBondContact O-CZ3 3.48Å; A1535-W1567 HydrophobicContact CB-CE3 4.39Å; A1535-W1567 HydrophobicContact CB-CH2 3.53Å; A1535-W1567 HydrophobicContact CB-CZ2 3.72Å; A1535-W1567 HydrophobicContact CB-CZ3 3.87Å; L1541-W1567 HydrophobicContact CB-CD2 3.71Å; L1541-W1567 VanDerWaalsContact CB-CE2 3.48Å; L1541-W1567 HydrophobicContact CB-CE3 4.05Å; L1541-W1567 HydrophobicContact CB-CG 4.29Å; L1541-W1567 HydrophobicContact CB-CH2 3.97Å; L1541-W1567 HydrophobicContact CB-CZ2 3.64Å; L1541-W1567 HydrophobicContact CB-CZ3 4.17Å; L1541-W1567 HydrophobicContact CD1-CE3 4.28Å; L1541-W1567 HydrophobicContact CD1-CH2 4.44Å; L1541-W1567 HydrophobicContact CD1-CZ3 4.13Å; L1541-W1567 HydrophobicContact CD2-CB 4.29Å; L1541-W1567 HydrophobicContact CD2-CD2 3.86Å; L1541-W1567 HydrophobicContact CD2-CE3 3.88Å; L1541-W1567 HydrophobicContact CD2-CG 4.06Å; L1541-W1567 HydrophobicContact CG-CD2 4.32Å; L1541-W1567 HydrophobicContact CG-CE3 4.31Å; H1563-W1567 VanDerWaalsContact O-CB 3.28Å; H1563-W1567 WeakPolarHBondContact O-CB 3.38Å; H1563-W1567 PolarHBondContact O-N 3.42Å; W1567-K1571 HydrophobicContact CZ2-CB 4.24Å; W1567-K1571 PolarHBondContact NE1-O 3.02Å; W1567-I1573 HydrophobicContact CB-CD1 4.4Å; W1567-I1573 HydrophobicContact CB-CG1 4.47Å; W1567-I1573 HydrophobicContact CG-CG1 4.24Å; W1567-R1594 VanDerWaalsContact O-CZ 3.26Å; W1567-R1594 PolarHBondContact O-NE 2.82Å; W1567-R1594 PolarHBondContact O-NH2 2.88Å |
| 1568 | P | 85.9 | Confident | 89.3 | Confident | 48 Ų | 48 | 37 Ų | 37 | 31% | 0.312 | 21% | 0.212 | S | C | . | . | trans | -61.8 | 142.4 | -179.1 | -25.2 | 35.8 | 0 | 0 | 0 | 113.5 | A1535 G1570 K1571 | A1535-P1568 HydrophobicContact CB-CG 3.71Å; P1568-G1570 PolarHBondContact O-N 2.99Å; P1568-G1570 VanDerWaalsContact O-N 3.16Å; P1568-K1571 PolarHBondContact O-N 2.76Å | ||
| 1569 | S | 82 | Confident | 89.5 | Confident | 79 Ų | 79 | 31.1 Ų | 31.1 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.3 | 178.1 | 34.5 | 0 | 0 | 0 | 0 | 114.4 | R1594 P1595 | S1569-R1594 VanDerWaalsContact CB-NH1 3.27Å; S1569-P1595 WeakPolarHBondContact O-CD 3.26Å; S1569-P1595 VanDerWaalsContact O-CG 3.27Å; S1569-P1595 WeakPolarHBondContact O-CG 3.39Å |
| 1570 | G | 81.5 | Confident | 89.6 | Confident | 70 Ų | 70 | 39 Ų | 39 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1568 | P1568-G1570 PolarHBondContact O-N 2.99Å; P1568-G1570 VanDerWaalsContact O-N 3.16Å |
| 1571 | K | 87.4 | Confident | 89.7 | Confident | 43 Ų | 43 | 40 Ų | 40 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -127.4 | 137.1 | -177.7 | -73.1 | -73.9 | -175.6 | 166.4 | 0 | 110.5 | A1535 C1538 W1567 P1568 | A1535-K1571 VanDerWaalsContact O-CE 3.3Å; A1535-K1571 WeakPolarHBondContact O-CE 3.47Å; C1538-K1571 PolarHBondContact O-NZ 2.97Å; W1567-K1571 HydrophobicContact CZ2-CB 4.24Å; W1567-K1571 PolarHBondContact NE1-O 3.02Å; P1568-K1571 PolarHBondContact O-N 2.76Å |
| 1572 | P | 94.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | trans | -71.4 | 144.3 | -177.5 | 28.8 | -34.1 | 0 | 0 | 0 | 112 | A1539 G1540 L1541 V1574 F1723 | A1539-P1572 WeakPolarHBondContact O-CD 3.17Å; G1540-P1572 WeakPolarHBondContact CA-O 3.47Å; L1541-P1572 PolarHBondContact N-O 3.12Å; L1541-P1572 VanDerWaalsContact N-O 3.1Å; P1572-V1574 HydrophobicContact CB-CG2 4.47Å; P1572-F1723 HydrophobicContact CG-CD1 3.63Å; P1572-F1723 HydrophobicContact CG-CE1 3.95Å; P1572-F1723 HydrophobicContact CG-CG 4.49Å | ||
| 1573 | I | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.9 | 161 | -62.2 | 172.5 | 0 | 0 | 0 | 107 | L1541 M1543 F1564 W1567 R1594 P1595 V1596 H1597 | L1541-I1573 CarbonylContact O-C 3.53Å; M1543-I1573 HydrophobicContact CE-CD1 4.37Å; M1543-I1573 HydrophobicContact CE-CG2 3.68Å; M1543-I1573 HydrophobicContact CG-CG2 4.05Å; M1543-I1573 HydrophobicContact SD-CG2 3.64Å; F1564-I1573 HydrophobicContact CD1-CD1 3.92Å; F1564-I1573 HydrophobicContact CD2-CD1 3.84Å; F1564-I1573 HydrophobicContact CE1-CD1 4.01Å; F1564-I1573 HydrophobicContact CE2-CD1 3.92Å; F1564-I1573 HydrophobicContact CE2-CG2 4.28Å; F1564-I1573 HydrophobicContact CG-CD1 3.84Å; F1564-I1573 HydrophobicContact CZ-CD1 4.01Å; F1564-I1573 HydrophobicContact CZ-CG2 4.44Å; W1567-I1573 HydrophobicContact CB-CD1 4.4Å; W1567-I1573 HydrophobicContact CB-CG1 4.47Å; W1567-I1573 HydrophobicContact CG-CG1 4.24Å; I1573-R1594 HydrophobicContact CD1-CB 4.11Å; I1573-R1594 HydrophobicContact CD1-CG 4.44Å; I1573-P1595 PolarHBondContact N-O 3.19Å; I1573-V1596 HydrophobicContact CB-CG2 4.24Å; I1573-V1596 CarbonylContact O-C 3.4Å; I1573-V1596 VanDerWaalsContact O-CA 3.25Å; I1573-V1596 WeakPolarHBondContact O-CA 3.34Å; I1573-H1597 PolarHBondContact O-N 2.91Å |
| 1574 | V | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111.1 | -174.5 | -175.1 | 0 | 0 | 0 | 0 | 108 | Y1520 L1541 K1542 M1543 P1572 H1597 C1599 F1723 | Y1520-V1574 HydrophobicContact CD1-CG2 4.16Å; Y1520-V1574 HydrophobicContact CE1-CB 4.4Å; Y1520-V1574 HydrophobicContact CE1-CG2 3.62Å; L1541-V1574 PolarHBondContact O-N 2.81Å; K1542-V1574 CarbonylContact C-O 3.58Å; K1542-V1574 VanDerWaalsContact CA-O 3.23Å; K1542-V1574 WeakPolarHBondContact CA-O 3.24Å; K1542-V1574 HydrophobicContact CD-CB 4.16Å; K1542-V1574 HydrophobicContact CD-CG1 3.83Å; M1543-V1574 PolarHBondContact N-O 2.74Å; P1572-V1574 HydrophobicContact CB-CG2 4.47Å; V1574-H1597 CarbonylContact C-O 3.54Å; V1574-H1597 WeakPolarHBondContact CA-O 3.16Å; V1574-H1597 HydrophobicContact CG2-CB 4.42Å; V1574-C1599 WeakPolarHBondContact CG1-SG 3.36Å; V1574-F1723 HydrophobicContact CG2-CE1 3.72Å |
| 1575 | A | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1543 L1585 H1597 C1599 | M1543-A1575 HydrophobicContact CB-CB 4.48Å; M1543-A1575 WeakPolarHBondContact O-CA 3.4Å; A1575-L1585 HydrophobicContact CB-CD1 4.22Å; A1575-L1585 HydrophobicContact CB-CD2 3.54Å; A1575-H1597 PolarHBondContact N-O 3.29Å; A1575-C1599 VanDerWaalsContact C-SG 3.58Å; A1575-C1599 PolarHBondContact O-N 3.32Å; A1575-C1599 PolarHBondContact O-SG 3.2Å; A1575-C1599 VanDerWaalsContact O-SG 3.37Å |
| 1576 | H | 92 | Very high | 89.6 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.2 | 158.8 | 177.4 | 114.3 | 0 | 0 | 0 | 107.5 | M1543 F1544 L1545 E1578 H1600 | M1543-H1576 PolarHBondContact O-N 3.46Å; F1544-H1576 HydrophobicContact CD1-CB 3.98Å; L1545-H1576 WeakPolarHBondContact CB-O 3.5Å; L1545-H1576 PolarHBondContact N-O 3.44Å; H1576-E1578 IonicContact NE2-OE1 3.07Å; H1576-E1578 PolarHBondContact NE2-OE1 3.11Å; H1576-H1600 AromaticContact CE1-CE1 3.32Å; H1576-H1600 PolarHBondContact CE1-CE1 3.02Å; H1576-H1600 AromaticContact CE1-NE2 3.53Å; H1576-H1600 AromaticContact CG-CE1 3.51Å; H1576-H1600 AromaticContact CG-NE2 3.67Å; H1576-H1600 AromaticContact ND1-CE1 2.87Å; H1576-H1600 PolarHBondContact ND1-CE1 3.26Å; H1576-H1600 AromaticContact ND1-NE2 2.8Å; H1576-H1600 PolarHBondContact ND1-NE2 2.61Å |
| 1577 | A | 89.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | trans | -145.5 | 139.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1545 N1546 T1581 V1582 L1585 | L1545-A1577 HydrophobicContact CB-CB 4.47Å; L1545-A1577 HydrophobicContact CD1-CB 4.14Å; N1546-A1577 WeakPolarHBondContact OD1-CA 3.25Å; A1577-T1581 WeakPolarHBondContact CA-OG1 3.4Å; A1577-V1582 HydrophobicContact CB-CG2 3.8Å; A1577-V1582 WeakPolarHBondContact O-CG2 3Å; A1577-L1585 HydrophobicContact CB-CD2 4.22Å | ||
| 1578 | E | 88.6 | Confident | 89.7 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | trans | -129.3 | 136.6 | -178.4 | -59.4 | 175.9 | -105 | 0 | 0 | 110.4 | N1546 H1576 Q1580 T1581 E1606 P1645 | N1546-E1578 HydrophobicContact CB-CG 4.5Å; N1546-E1578 WeakPolarHBondContact CB-OE1 3.14Å; N1546-E1578 PolarHBondContact OD1-N 3.08Å; N1546-E1578 VanDerWaalsContact OD1-N 3.13Å; H1576-E1578 IonicContact NE2-OE1 3.07Å; H1576-E1578 PolarHBondContact NE2-OE1 3.11Å; E1578-Q1580 PolarHBondContact O-N 3.43Å; E1578-Q1580 VanDerWaalsContact O-N 3.13Å; E1578-T1581 PolarHBondContact N-OG1 2.99Å; E1578-T1581 PolarHBondContact O-N 2.85Å; E1578-T1581 VanDerWaalsContact O-N 3.17Å; E1578-T1581 PolarHBondContact O-OG1 3.39Å; E1578-E1606 WeakPolarHBondContact CA-OE1 3.42Å; E1578-P1645 HydrophobicContact CG-CB 4.21Å; E1578-P1645 HydrophobicContact CG-CG 3.91Å | ||
| 1579 | G | 86 | Confident | 90 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -115.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1581 V1582 E1606 | G1579-T1581 PolarHBondContact O-N 2.82Å; G1579-V1582 WeakPolarHBondContact O-CB 3.14Å; G1579-V1582 PolarHBondContact O-N 3.45Å; G1579-V1582 VanDerWaalsContact O-N 3.1Å; G1579-E1606 PolarHBondContact N-OE1 3.48Å; G1579-E1606 VanDerWaalsContact N-OE1 3.13Å |
| 1580 | Q | 85.4 | Confident | 90.5 | Very high | 174 Ų | 174 | 34.8 Ų | 34.8 | 81% | 0.813 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.6 | -26.5 | -176.2 | -68.5 | -174 | -3.4 | 0 | 0 | 113.9 | E1578 V1582 A1583 S1584 | E1578-Q1580 PolarHBondContact O-N 3.43Å; E1578-Q1580 VanDerWaalsContact O-N 3.13Å; Q1580-V1582 VanDerWaalsContact C-N 3.33Å; Q1580-A1583 PolarHBondContact O-N 3.09Å; Q1580-S1584 PolarHBondContact O-N 3.17Å; Q1580-S1584 VanDerWaalsContact O-N 3.08Å; Q1580-S1584 PolarHBondContact O-OG 2.98Å |
| 1581 | T | 89 | Confident | 91 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.2 | -26.3 | 177.4 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | L1545 N1546 A1577 E1578 G1579 S1584 L1585 | L1545-T1581 HydrophobicContact CB-CG2 4.47Å; N1546-T1581 PolarHBondContact OD1-OG1 2.88Å; A1577-T1581 WeakPolarHBondContact CA-OG1 3.4Å; E1578-T1581 PolarHBondContact N-OG1 2.99Å; E1578-T1581 PolarHBondContact O-N 2.85Å; E1578-T1581 VanDerWaalsContact O-N 3.17Å; E1578-T1581 PolarHBondContact O-OG1 3.39Å; G1579-T1581 PolarHBondContact O-N 2.82Å; T1581-S1584 PolarHBondContact O-N 2.94Å; T1581-L1585 VanDerWaalsContact O-CB 3.26Å; T1581-L1585 WeakPolarHBondContact O-CB 3.33Å; T1581-L1585 PolarHBondContact O-N 3.14Å |
| 1582 | V | 91 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | A1577 G1579 Q1580 S1584 L1585 M1586 E1606 I1609 I1610 | A1577-V1582 HydrophobicContact CB-CG2 3.8Å; A1577-V1582 WeakPolarHBondContact O-CG2 3Å; G1579-V1582 WeakPolarHBondContact O-CB 3.14Å; G1579-V1582 PolarHBondContact O-N 3.45Å; G1579-V1582 VanDerWaalsContact O-N 3.1Å; Q1580-V1582 VanDerWaalsContact C-N 3.33Å; V1582-S1584 VanDerWaalsContact C-N 3.35Å; V1582-S1584 PolarHBondContact O-N 3.38Å; V1582-L1585 WeakPolarHBondContact O-CB 3.4Å; V1582-L1585 PolarHBondContact O-N 3.36Å; V1582-M1586 HydrophobicContact CG1-CE 4.38Å; V1582-M1586 WeakPolarHBondContact O-CG 3.42Å; V1582-M1586 PolarHBondContact O-N 3.04Å; V1582-E1606 HydrophobicContact CG2-CG 4.07Å; V1582-I1609 HydrophobicContact CG1-CB 4.38Å; V1582-I1609 HydrophobicContact CG1-CG2 3.92Å; V1582-I1610 HydrophobicContact CG1-CG1 4.31Å |
| 1583 | A | 88.2 | Confident | 90.9 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1580 L1585 M1586 W1587 I1609 | Q1580-A1583 PolarHBondContact O-N 3.09Å; A1583-L1585 VanDerWaalsContact C-N 3.35Å; A1583-L1585 PolarHBondContact O-N 3.5Å; A1583-M1586 PolarHBondContact O-N 2.59Å; A1583-W1587 PolarHBondContact O-N 2.77Å; A1583-I1609 HydrophobicContact CB-CD1 4.37Å |
| 1584 | S | 88.4 | Confident | 90.7 | Very high | 62 Ų | 62 | 45.5 Ų | 45.5 | 43% | 0.434 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | Q1580 T1581 V1582 W1587 L1588 | Q1580-S1584 PolarHBondContact O-N 3.17Å; Q1580-S1584 VanDerWaalsContact O-N 3.08Å; Q1580-S1584 PolarHBondContact O-OG 2.98Å; T1581-S1584 PolarHBondContact O-N 2.94Å; V1582-S1584 VanDerWaalsContact C-N 3.35Å; V1582-S1584 PolarHBondContact O-N 3.38Å; S1584-W1587 WeakPolarHBondContact O-CB 3.22Å; S1584-W1587 PolarHBondContact O-N 3.29Å; S1584-L1588 PolarHBondContact O-N 3.26Å; S1584-L1588 VanDerWaalsContact O-N 3.16Å |
| 1585 | L | 92.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 174.8 | -179.4 | 66 | 0 | 0 | 0 | 111.2 | L1545 F1564 A1575 A1577 T1581 V1582 A1583 W1587 L1588 V1589 V1596 V1598 | L1545-L1585 HydrophobicContact CD1-CB 4.28Å; L1545-L1585 HydrophobicContact CD1-CD1 4.22Å; F1564-L1585 HydrophobicContact CE2-CD1 4.06Å; F1564-L1585 HydrophobicContact CZ-CD1 3.63Å; A1575-L1585 HydrophobicContact CB-CD1 4.22Å; A1575-L1585 HydrophobicContact CB-CD2 3.54Å; A1577-L1585 HydrophobicContact CB-CD2 4.22Å; T1581-L1585 VanDerWaalsContact O-CB 3.26Å; T1581-L1585 WeakPolarHBondContact O-CB 3.33Å; T1581-L1585 PolarHBondContact O-N 3.14Å; V1582-L1585 WeakPolarHBondContact O-CB 3.4Å; V1582-L1585 PolarHBondContact O-N 3.36Å; A1583-L1585 VanDerWaalsContact C-N 3.35Å; A1583-L1585 PolarHBondContact O-N 3.5Å; L1585-W1587 VanDerWaalsContact C-N 3.27Å; L1585-W1587 PolarHBondContact O-N 2.68Å; L1585-L1588 WeakPolarHBondContact O-CB 3.33Å; L1585-L1588 PolarHBondContact O-N 3.23Å; L1585-L1588 VanDerWaalsContact O-N 3.11Å; L1585-V1589 WeakPolarHBondContact O-CG2 3.5Å; L1585-V1589 PolarHBondContact O-N 3.08Å; L1585-V1596 HydrophobicContact CD1-CG1 4.18Å; L1585-V1596 HydrophobicContact CD2-CG1 3.78Å; L1585-V1596 HydrophobicContact CG-CG1 4.07Å; L1585-V1598 HydrophobicContact CD2-CG2 4.18Å |
| 1586 | M | 92.8 | Very high | 90.8 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.069 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -37.8 | 176.3 | -67.5 | -49.2 | 106.3 | 0 | 0 | 111.9 | V1582 A1583 V1589 S1590 V1598 I1609 A1613 V1620 | V1582-M1586 HydrophobicContact CG1-CE 4.38Å; V1582-M1586 WeakPolarHBondContact O-CG 3.42Å; V1582-M1586 PolarHBondContact O-N 3.04Å; A1583-M1586 PolarHBondContact O-N 2.59Å; M1586-V1589 PolarHBondContact O-N 3.09Å; M1586-S1590 PolarHBondContact O-N 3.24Å; M1586-V1598 HydrophobicContact CE-CG2 3.77Å; M1586-I1609 HydrophobicContact CG-CG2 3.66Å; M1586-A1613 HydrophobicContact CG-CB 4.14Å; M1586-A1613 HydrophobicContact SD-CB 3.5Å; M1586-A1613 WeakPolarHBondContact SD-CB 3.37Å; M1586-V1620 HydrophobicContact CE-CG1 3.88Å; M1586-V1620 HydrophobicContact CE-CG2 4.23Å; M1586-V1620 HydrophobicContact SD-CB 4.39Å; M1586-V1620 HydrophobicContact SD-CG1 3.96Å; M1586-V1620 HydrophobicContact SD-CG2 3.71Å |
| 1587 | W | 90.8 | Very high | 91.1 | Very high | 155 Ų | 155 | 47.2 Ų | 47.2 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.5 | -44.6 | 173.8 | -179.1 | 69.9 | 0 | 0 | 0 | 111.9 | A1583 S1584 L1585 V1589 S1590 I1591 | A1583-W1587 PolarHBondContact O-N 2.77Å; S1584-W1587 WeakPolarHBondContact O-CB 3.22Å; S1584-W1587 PolarHBondContact O-N 3.29Å; L1585-W1587 VanDerWaalsContact C-N 3.27Å; L1585-W1587 PolarHBondContact O-N 2.68Å; W1587-V1589 PolarHBondContact O-N 3.19Å; W1587-S1590 WeakPolarHBondContact O-CB 3.4Å; W1587-S1590 PolarHBondContact O-N 2.85Å; W1587-S1590 PolarHBondContact O-OG 2.86Å; W1587-I1591 HydrophobicContact CD2-CD1 3.86Å; W1587-I1591 HydrophobicContact CE3-CD1 4.13Å; W1587-I1591 HydrophobicContact CH2-CD1 3.86Å; W1587-I1591 HydrophobicContact CZ2-CD1 3.55Å; W1587-I1591 HydrophobicContact CZ3-CD1 4.13Å; W1587-I1591 PolarHBondContact O-N 2.73Å |
| 1588 | L | 92.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 174.2 | -69.4 | 172.8 | 0 | 0 | 0 | 112.6 | T1557 I1560 A1561 F1564 S1584 L1585 S1590 I1591 Y1592 | T1557-L1588 HydrophobicContact CG2-CD1 4.45Å; I1560-L1588 HydrophobicContact CB-CD1 4.12Å; I1560-L1588 HydrophobicContact CG2-CD1 3.49Å; I1560-L1588 VanDerWaalsContact CG2-CD1 3.49Å; A1561-L1588 HydrophobicContact CB-CD2 4.17Å; F1564-L1588 HydrophobicContact CD1-CB 4.48Å; F1564-L1588 HydrophobicContact CE1-CB 4.23Å; F1564-L1588 HydrophobicContact CE2-CD1 4.4Å; F1564-L1588 HydrophobicContact CZ-CB 4.25Å; S1584-L1588 PolarHBondContact O-N 3.26Å; S1584-L1588 VanDerWaalsContact O-N 3.16Å; L1585-L1588 WeakPolarHBondContact O-CB 3.33Å; L1585-L1588 PolarHBondContact O-N 3.23Å; L1585-L1588 VanDerWaalsContact O-N 3.11Å; L1588-S1590 VanDerWaalsContact C-N 3.26Å; L1588-S1590 PolarHBondContact O-N 3.5Å; L1588-I1591 PolarHBondContact O-N 3.1Å; L1588-Y1592 HydrophobicContact CD2-CD2 4.3Å; L1588-Y1592 HydrophobicContact CD2-CE2 3.95Å; L1588-Y1592 WeakPolarHBondContact O-CD2 3.25Å; L1588-Y1592 PolarHBondContact O-N 3.03Å |
| 1589 | V | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 174 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | F1564 L1585 M1586 W1587 I1591 K1593 V1596 L1618 P1619 V1620 | F1564-V1589 HydrophobicContact CE1-CG2 4.27Å; L1585-V1589 WeakPolarHBondContact O-CG2 3.5Å; L1585-V1589 PolarHBondContact O-N 3.08Å; M1586-V1589 PolarHBondContact O-N 3.09Å; W1587-V1589 PolarHBondContact O-N 3.19Å; V1589-I1591 VanDerWaalsContact C-N 3.25Å; V1589-I1591 PolarHBondContact O-N 2.84Å; V1589-K1593 VanDerWaalsContact O-CA 3.24Å; V1589-K1593 WeakPolarHBondContact O-CA 3.18Å; V1589-K1593 PolarHBondContact O-N 3.32Å; V1589-V1596 HydrophobicContact CG2-CB 3.87Å; V1589-V1596 HydrophobicContact CG2-CG1 4.31Å; V1589-V1596 HydrophobicContact CG2-CG2 3.47Å; V1589-V1596 VanDerWaalsContact CG2-CG2 3.47Å; V1589-L1618 HydrophobicContact CG1-CB 4.19Å; V1589-P1619 HydrophobicContact CG1-CG 3.97Å; V1589-V1620 HydrophobicContact CB-CG2 4.32Å; V1589-V1620 HydrophobicContact CG1-CG2 3.76Å; V1589-V1620 HydrophobicContact CG2-CG2 4.2Å |
| 1590 | S | 92 | Very high | 92.1 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -31.5 | 178.5 | 83.7 | 0 | 0 | 0 | 0 | 113 | M1586 W1587 L1588 K1593 | M1586-S1590 PolarHBondContact O-N 3.24Å; W1587-S1590 WeakPolarHBondContact O-CB 3.4Å; W1587-S1590 PolarHBondContact O-N 2.85Å; W1587-S1590 PolarHBondContact O-OG 2.86Å; L1588-S1590 VanDerWaalsContact C-N 3.26Å; L1588-S1590 PolarHBondContact O-N 3.5Å; S1590-K1593 WeakPolarHBondContact O-CE 3.09Å |
| 1591 | I | 90.9 | Very high | 92.6 | Very high | 88 Ų | 88 | 36 Ų | 36 | 45% | 0.451 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -82.4 | -53.5 | 179.5 | -66.2 | 167.4 | 0 | 0 | 0 | 111.6 | W1587 L1588 V1589 | W1587-I1591 HydrophobicContact CD2-CD1 3.86Å; W1587-I1591 HydrophobicContact CE3-CD1 4.13Å; W1587-I1591 HydrophobicContact CH2-CD1 3.86Å; W1587-I1591 HydrophobicContact CZ2-CD1 3.55Å; W1587-I1591 HydrophobicContact CZ3-CD1 4.13Å; W1587-I1591 PolarHBondContact O-N 2.73Å; L1588-I1591 PolarHBondContact O-N 3.1Å; V1589-I1591 VanDerWaalsContact C-N 3.25Å; V1589-I1591 PolarHBondContact O-N 2.84Å |
| 1592 | Y | 91.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 32% | 0.318 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -93 | -13.1 | -169.9 | -69.2 | -77.7 | 0 | 0 | 0 | 113.9 | A1561 F1564 K1565 L1588 R1594 | A1561-Y1592 HydrophobicContact CB-CE2 3.96Å; F1564-Y1592 HydrophobicContact CB-CD1 4.28Å; F1564-Y1592 HydrophobicContact CB-CD2 3.74Å; F1564-Y1592 HydrophobicContact CB-CE2 4.25Å; F1564-Y1592 HydrophobicContact CB-CG 3.77Å; F1564-Y1592 HydrophobicContact CD1-CD2 4.17Å; F1564-Y1592 HydrophobicContact CD1-CG 4.28Å; F1564-Y1592 HydrophobicContact CG-CD2 4.2Å; F1564-Y1592 HydrophobicContact CG-CG 4.45Å; K1565-Y1592 HydrophobicContact CB-CE1 4.12Å; L1588-Y1592 HydrophobicContact CD2-CD2 4.3Å; L1588-Y1592 HydrophobicContact CD2-CE2 3.95Å; L1588-Y1592 WeakPolarHBondContact O-CD2 3.25Å; L1588-Y1592 PolarHBondContact O-N 3.03Å; Y1592-R1594 PolarHBondContact O-N 3.11Å; Y1592-R1594 VanDerWaalsContact O-N 3.1Å |
| 1593 | K | 89.2 | Confident | 93.1 | Very high | 119 Ų | 119 | 36.2 Ų | 36.2 | 52% | 0.517 | 18% | 0.184 | S | C | . | . | trans | 50 | 35.8 | 178.8 | -57.1 | -65.8 | -172.5 | -179.4 | 0 | 113.3 | V1589 S1590 L1618 | V1589-K1593 VanDerWaalsContact O-CA 3.24Å; V1589-K1593 WeakPolarHBondContact O-CA 3.18Å; V1589-K1593 PolarHBondContact O-N 3.32Å; S1590-K1593 WeakPolarHBondContact O-CE 3.09Å; K1593-L1618 HydrophobicContact CD-CD2 4.42Å | ||
| 1594 | R | 91.4 | Very high | 93.4 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | trans | -85.8 | 144.2 | 174.9 | -62.3 | -58.1 | -169.7 | -172.6 | 4.3 | 110.4 | F1564 K1565 W1567 S1569 I1573 Y1592 V1596 P1619 | F1564-R1594 HydrophobicContact CD1-CB 3.99Å; F1564-R1594 HydrophobicContact CD1-CG 3.99Å; F1564-R1594 HydrophobicContact CE1-CB 4.26Å; F1564-R1594 WeakPolarHBondContact O-CG 3.23Å; F1564-R1594 PolarHBondContact O-NE 2.87Å; K1565-R1594 PolarHBondContact O-NH2 2.89Å; K1565-R1594 VanDerWaalsContact O-NH2 3.11Å; W1567-R1594 VanDerWaalsContact O-CZ 3.26Å; W1567-R1594 PolarHBondContact O-NE 2.82Å; W1567-R1594 PolarHBondContact O-NH2 2.88Å; S1569-R1594 VanDerWaalsContact CB-NH1 3.27Å; I1573-R1594 HydrophobicContact CD1-CB 4.11Å; I1573-R1594 HydrophobicContact CD1-CG 4.44Å; Y1592-R1594 PolarHBondContact O-N 3.11Å; Y1592-R1594 VanDerWaalsContact O-N 3.1Å; R1594-V1596 PolarHBondContact O-N 3.23Å; R1594-P1619 WeakPolarHBondContact O-CG 3.49Å | ||
| 1595 | P | 94.4 | Very high | 93.6 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 29% | 0.286 | 20% | 0.197 | S | C | . | . | trans | -61 | 125.5 | 171.9 | -19.6 | 31.9 | 0 | 0 | 0 | 110.8 | S1569 I1573 P1619 | S1569-P1595 WeakPolarHBondContact O-CD 3.26Å; S1569-P1595 VanDerWaalsContact O-CG 3.27Å; S1569-P1595 WeakPolarHBondContact O-CG 3.39Å; I1573-P1595 PolarHBondContact N-O 3.19Å; P1595-P1619 WeakPolarHBondContact CA-O 3.26Å | ||
| 1596 | V | 97.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.8 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | F1564 I1573 L1585 V1589 R1594 V1598 P1619 V1620 T1621 | F1564-V1596 HydrophobicContact CE1-CG2 3.69Å; F1564-V1596 HydrophobicContact CZ-CG2 3.7Å; I1573-V1596 HydrophobicContact CB-CG2 4.24Å; I1573-V1596 CarbonylContact O-C 3.4Å; I1573-V1596 VanDerWaalsContact O-CA 3.25Å; I1573-V1596 WeakPolarHBondContact O-CA 3.34Å; L1585-V1596 HydrophobicContact CD1-CG1 4.18Å; L1585-V1596 HydrophobicContact CD2-CG1 3.78Å; L1585-V1596 HydrophobicContact CG-CG1 4.07Å; V1589-V1596 HydrophobicContact CG2-CB 3.87Å; V1589-V1596 HydrophobicContact CG2-CG1 4.31Å; V1589-V1596 HydrophobicContact CG2-CG2 3.47Å; V1589-V1596 VanDerWaalsContact CG2-CG2 3.47Å; R1594-V1596 PolarHBondContact O-N 3.23Å; V1596-V1598 HydrophobicContact CG1-CG2 4.46Å; V1596-P1619 PolarHBondContact N-O 2.71Å; V1596-V1620 CarbonylContact O-C 3.22Å; V1596-V1620 VanDerWaalsContact O-CA 3.31Å; V1596-V1620 WeakPolarHBondContact O-CA 3.16Å; V1596-T1621 PolarHBondContact O-N 2.55Å |
| 1597 | H | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.8 | 171.5 | -169.6 | 73.5 | 0 | 0 | 0 | 110 | I1573 V1574 A1575 T1621 E1623 F1723 | I1573-H1597 PolarHBondContact O-N 2.91Å; V1574-H1597 CarbonylContact C-O 3.54Å; V1574-H1597 WeakPolarHBondContact CA-O 3.16Å; V1574-H1597 HydrophobicContact CG2-CB 4.42Å; A1575-H1597 PolarHBondContact N-O 3.29Å; H1597-T1621 CarbonylContact C-O 3.58Å; H1597-T1621 WeakPolarHBondContact CA-O 3.4Å; H1597-T1621 PolarHBondContact ND1-OG1 2.89Å; H1597-E1623 IonicContact CD2-OE2 3.68Å; H1597-E1623 WeakPolarHBondContact NE2-CB 3.42Å; H1597-E1623 IonicContact NE2-OE2 3.56Å; H1597-E1623 PolarHBondContact NE2-OE2 3.26Å; H1597-F1723 HydrophobicContact CB-CZ 4.32Å; H1597-F1723 AromaticContact CD2-CZ 3.79Å; H1597-F1723 AromaticContact CG-CZ 3.88Å |
| 1598 | V | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.8 | 178.8 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | L1585 M1586 V1596 V1601 I1610 V1620 T1621 C1622 E1623 | L1585-V1598 HydrophobicContact CD2-CG2 4.18Å; M1586-V1598 HydrophobicContact CE-CG2 3.77Å; V1596-V1598 HydrophobicContact CG1-CG2 4.46Å; V1598-V1601 HydrophobicContact CG1-CG2 4.22Å; V1598-I1610 HydrophobicContact CB-CD1 4.05Å; V1598-I1610 HydrophobicContact CG1-CD1 4.04Å; V1598-I1610 HydrophobicContact CG2-CD1 4.24Å; V1598-I1610 HydrophobicContact CG2-CG1 4.39Å; V1598-V1620 HydrophobicContact CG2-CG1 4.06Å; V1598-T1621 PolarHBondContact N-O 2.84Å; V1598-C1622 HydrophobicContact CB-CB 4.09Å; V1598-C1622 VanDerWaalsContact O-CA 3.3Å; V1598-C1622 WeakPolarHBondContact O-CA 3.26Å; V1598-E1623 PolarHBondContact O-N 2.94Å; V1598-E1623 VanDerWaalsContact O-N 3.09Å |
| 1599 | C | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -78.7 | 149.9 | -175.5 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | K1542 V1574 A1575 V1601 E1623 | K1542-C1599 PolarHBondContact NZ-SG 3.05Å; V1574-C1599 WeakPolarHBondContact CG1-SG 3.36Å; A1575-C1599 VanDerWaalsContact C-SG 3.58Å; A1575-C1599 PolarHBondContact O-N 3.32Å; A1575-C1599 PolarHBondContact O-SG 3.2Å; A1575-C1599 VanDerWaalsContact O-SG 3.37Å; C1599-V1601 PolarHBondContact O-N 3.37Å; C1599-V1601 VanDerWaalsContact O-N 3.11Å; C1599-E1623 WeakPolarHBondContact CA-OE1 3.34Å; C1599-E1623 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 1600 | H | 93.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 29.1 | 62.7 | 168 | 49.5 | 39.6 | 0 | 0 | 0 | 114.7 | H1460 H1576 S1602 E1623 T1625 P1645 D1669 | H1460-H1600 AromaticContact CE1-CD2 3.32Å; H1460-H1600 PolarHBondContact CE1-CD2 2.65Å; H1460-H1600 AromaticContact CE1-NE2 3.55Å; H1460-H1600 AromaticContact ND1-CD2 3.89Å; H1576-H1600 AromaticContact CE1-CE1 3.32Å; H1576-H1600 PolarHBondContact CE1-CE1 3.02Å; H1576-H1600 AromaticContact CE1-NE2 3.53Å; H1576-H1600 AromaticContact CG-CE1 3.51Å; H1576-H1600 AromaticContact CG-NE2 3.67Å; H1576-H1600 AromaticContact ND1-CE1 2.87Å; H1576-H1600 PolarHBondContact ND1-CE1 3.26Å; H1576-H1600 AromaticContact ND1-NE2 2.8Å; H1576-H1600 PolarHBondContact ND1-NE2 2.61Å; H1600-S1602 PolarHBondContact O-N 2.93Å; H1600-E1623 PolarHBondContact N-OE1 2.91Å; H1600-T1625 HydrophobicContact CB-CG2 3.43Å; H1600-T1625 VanDerWaalsContact CB-CG2 3.43Å; H1600-P1645 WeakPolarHBondContact ND1-CD 3.48Å; H1600-P1645 WeakPolarHBondContact ND1-CG 3.27Å; H1600-D1669 IonicContact CD2-OD2 3.77Å |
| 1601 | V | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | trans | -60.3 | 127.1 | 179 | 180 | 0 | 0 | 0 | 0 | 109.4 | V1598 C1599 E1606 I1607 I1610 C1622 E1623 L1656 | V1598-V1601 HydrophobicContact CG1-CG2 4.22Å; C1599-V1601 PolarHBondContact O-N 3.37Å; C1599-V1601 VanDerWaalsContact O-N 3.11Å; V1601-E1606 HydrophobicContact CG1-CB 3.76Å; V1601-I1607 HydrophobicContact CG1-CB 3.99Å; V1601-I1607 HydrophobicContact CG1-CD1 4.31Å; V1601-I1610 HydrophobicContact CG1-CD1 4.34Å; V1601-I1610 HydrophobicContact CG2-CD1 3.47Å; V1601-I1610 VanDerWaalsContact CG2-CD1 3.47Å; V1601-C1622 HydrophobicContact CG2-CB 3.78Å; V1601-E1623 WeakPolarHBondContact CG2-O 3.49Å; V1601-E1623 PolarHBondContact N-O 2.8Å; V1601-L1656 HydrophobicContact CG1-CD2 3.99Å | ||
| 1602 | S | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | trans | -116.8 | -21.1 | -163.9 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | H1600 E1606 P1645 | H1600-S1602 PolarHBondContact O-N 2.93Å; S1602-E1606 PolarHBondContact N-OE2 3.39Å; S1602-E1606 PolarHBondContact OG-OE2 2.79Å; S1602-E1606 VanDerWaalsContact OG-OE2 3.12Å; S1602-P1645 WeakPolarHBondContact OG-CB 3.28Å | ||
| 1603 | N | 94.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -141.9 | 168.9 | -173.3 | 65.6 | 63.5 | 0 | 0 | 0 | 114.7 | E1605 E1606 I1607 D1652 | N1603-E1605 VanDerWaalsContact C-N 3.34Å; N1603-E1605 PolarHBondContact O-N 3.24Å; N1603-E1605 PolarHBondContact OD1-N 3.46Å; N1603-E1605 VanDerWaalsContact OD1-N 3.16Å; N1603-E1606 PolarHBondContact ND2-OE1 2.78Å; N1603-E1606 PolarHBondContact ND2-OE2 2.92Å; N1603-E1606 PolarHBondContact O-N 3.05Å; N1603-E1606 WeakPolarHBondContact OD1-CG 3.32Å; N1603-E1606 PolarHBondContact OD1-N 2.83Å; N1603-E1606 VanDerWaalsContact OD1-N 3.08Å; N1603-I1607 PolarHBondContact O-N 2.7Å; N1603-D1652 HydrophobicContact CB-CB 4.15Å |
| 1604 | R | 94.1 | Very high | 95.1 | Very high | 131 Ų | 131 | 34.8 Ų | 34.8 | 49% | 0.494 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.1 | -34.9 | -175.9 | 178.7 | 172.1 | 45.7 | 126.2 | 9.2 | 113.4 | I1607 T1608 D1652 A1655 | R1604-I1607 WeakPolarHBondContact O-CG2 3.16Å; R1604-T1608 VanDerWaalsContact O-CB 3.3Å; R1604-T1608 WeakPolarHBondContact O-CB 3.31Å; R1604-T1608 PolarHBondContact O-N 2.97Å; R1604-T1608 VanDerWaalsContact O-N 3.17Å; R1604-T1608 PolarHBondContact O-OG1 2.83Å; R1604-D1652 PolarHBondContact N-OD1 3.13Å; R1604-A1655 HydrophobicContact CB-CB 3.72Å; R1604-A1655 HydrophobicContact CG-CB 3.82Å |
| 1605 | E | 93.9 | Very high | 95.2 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 63% | 0.626 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.6 | -44.9 | -179.3 | -65.2 | -175.8 | 176.7 | 0 | 0 | 110.6 | N1603 T1608 I1609 | N1603-E1605 VanDerWaalsContact C-N 3.34Å; N1603-E1605 PolarHBondContact O-N 3.24Å; N1603-E1605 PolarHBondContact OD1-N 3.46Å; N1603-E1605 VanDerWaalsContact OD1-N 3.16Å; E1605-T1608 PolarHBondContact O-N 2.77Å; E1605-I1609 WeakPolarHBondContact O-CG1 3.5Å; E1605-I1609 PolarHBondContact O-N 2.73Å |
| 1606 | E | 95.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -50.5 | 179.7 | -68.1 | 165.9 | -176 | 0 | 0 | 112.5 | E1578 G1579 V1582 V1601 S1602 N1603 T1608 I1609 I1610 | E1578-E1606 WeakPolarHBondContact CA-OE1 3.42Å; G1579-E1606 PolarHBondContact N-OE1 3.48Å; G1579-E1606 VanDerWaalsContact N-OE1 3.13Å; V1582-E1606 HydrophobicContact CG2-CG 4.07Å; V1601-E1606 HydrophobicContact CG1-CB 3.76Å; S1602-E1606 PolarHBondContact N-OE2 3.39Å; S1602-E1606 PolarHBondContact OG-OE2 2.79Å; S1602-E1606 VanDerWaalsContact OG-OE2 3.12Å; N1603-E1606 PolarHBondContact ND2-OE1 2.78Å; N1603-E1606 PolarHBondContact ND2-OE2 2.92Å; N1603-E1606 PolarHBondContact O-N 3.05Å; N1603-E1606 WeakPolarHBondContact OD1-CG 3.32Å; N1603-E1606 PolarHBondContact OD1-N 2.83Å; N1603-E1606 VanDerWaalsContact OD1-N 3.08Å; E1606-T1608 PolarHBondContact O-N 2.93Å; E1606-I1609 PolarHBondContact O-N 3.36Å; E1606-I1610 WeakPolarHBondContact O-CG1 3.47Å; E1606-I1610 PolarHBondContact O-N 2.72Å |
| 1607 | I | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | -179.8 | -164.4 | 61.8 | 0 | 0 | 0 | 111.5 | V1601 N1603 R1604 I1610 K1611 L1656 N1659 I1662 I1663 | V1601-I1607 HydrophobicContact CG1-CB 3.99Å; V1601-I1607 HydrophobicContact CG1-CD1 4.31Å; N1603-I1607 PolarHBondContact O-N 2.7Å; R1604-I1607 WeakPolarHBondContact O-CG2 3.16Å; I1607-I1610 PolarHBondContact O-N 2.98Å; I1607-K1611 VanDerWaalsContact O-CB 3.26Å; I1607-K1611 WeakPolarHBondContact O-CB 3.24Å; I1607-K1611 PolarHBondContact O-N 2.81Å; I1607-L1656 HydrophobicContact CB-CD2 4.32Å; I1607-N1659 HydrophobicContact CG1-CB 3.76Å; I1607-I1662 HydrophobicContact CD1-CB 4.15Å; I1607-I1662 HydrophobicContact CD1-CG2 3.82Å; I1607-I1662 HydrophobicContact CG1-CG2 4.45Å; I1607-I1663 HydrophobicContact CD1-CG1 3.9Å |
| 1608 | T | 94.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.5 | -43.8 | 174.8 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | R1604 E1605 E1606 K1611 M1612 | R1604-T1608 VanDerWaalsContact O-CB 3.3Å; R1604-T1608 WeakPolarHBondContact O-CB 3.31Å; R1604-T1608 PolarHBondContact O-N 2.97Å; R1604-T1608 VanDerWaalsContact O-N 3.17Å; R1604-T1608 PolarHBondContact O-OG1 2.83Å; E1605-T1608 PolarHBondContact O-N 2.77Å; E1606-T1608 PolarHBondContact O-N 2.93Å; T1608-K1611 PolarHBondContact O-N 2.88Å; T1608-M1612 HydrophobicContact CG2-CE 3.82Å; T1608-M1612 WeakPolarHBondContact O-CG 3.02Å; T1608-M1612 PolarHBondContact O-N 3.21Å |
| 1609 | I | 94.5 | Very high | 94.4 | Very high | 47 Ų | 47 | 53 Ų | 53 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 176.1 | -68.7 | 164.2 | 0 | 0 | 0 | 110.7 | V1582 A1583 M1586 E1605 E1606 M1612 A1613 | V1582-I1609 HydrophobicContact CG1-CB 4.38Å; V1582-I1609 HydrophobicContact CG1-CG2 3.92Å; A1583-I1609 HydrophobicContact CB-CD1 4.37Å; M1586-I1609 HydrophobicContact CG-CG2 3.66Å; E1605-I1609 WeakPolarHBondContact O-CG1 3.5Å; E1605-I1609 PolarHBondContact O-N 2.73Å; E1606-I1609 PolarHBondContact O-N 3.36Å; I1609-M1612 PolarHBondContact O-N 3.24Å; I1609-A1613 PolarHBondContact O-N 2.73Å |
| 1610 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.8 | -65.5 | 162.2 | 0 | 0 | 0 | 110.8 | V1582 V1598 V1601 E1606 I1607 M1612 A1613 K1614 V1620 C1622 I1662 | V1582-I1610 HydrophobicContact CG1-CG1 4.31Å; V1598-I1610 HydrophobicContact CB-CD1 4.05Å; V1598-I1610 HydrophobicContact CG1-CD1 4.04Å; V1598-I1610 HydrophobicContact CG2-CD1 4.24Å; V1598-I1610 HydrophobicContact CG2-CG1 4.39Å; V1601-I1610 HydrophobicContact CG1-CD1 4.34Å; V1601-I1610 HydrophobicContact CG2-CD1 3.47Å; V1601-I1610 VanDerWaalsContact CG2-CD1 3.47Å; E1606-I1610 WeakPolarHBondContact O-CG1 3.47Å; E1606-I1610 PolarHBondContact O-N 2.72Å; I1607-I1610 PolarHBondContact O-N 2.98Å; I1610-M1612 VanDerWaalsContact C-N 3.34Å; I1610-M1612 PolarHBondContact O-N 3.15Å; I1610-A1613 WeakPolarHBondContact O-CB 3.42Å; I1610-A1613 PolarHBondContact O-N 2.95Å; I1610-A1613 VanDerWaalsContact O-N 3.16Å; I1610-K1614 PolarHBondContact O-N 3.42Å; I1610-V1620 HydrophobicContact CG2-CG1 4.29Å; I1610-C1622 HydrophobicContact CD1-CB 3.88Å; I1610-C1622 HydrophobicContact CG2-CB 4.25Å; I1610-I1662 HydrophobicContact CG2-CG2 4.23Å |
| 1611 | K | 95.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 27% | 0.274 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 173.8 | -175.5 | 173.5 | -164.7 | 161.9 | 0 | 111.5 | I1607 T1608 A1613 K1614 Q1615 N1659 I1662 | I1607-K1611 VanDerWaalsContact O-CB 3.26Å; I1607-K1611 WeakPolarHBondContact O-CB 3.24Å; I1607-K1611 PolarHBondContact O-N 2.81Å; T1608-K1611 PolarHBondContact O-N 2.88Å; K1611-A1613 VanDerWaalsContact C-N 3.35Å; K1611-A1613 PolarHBondContact O-N 3.14Å; K1611-K1614 PolarHBondContact O-N 3.49Å; K1611-Q1615 WeakPolarHBondContact O-CB 3.47Å; K1611-Q1615 VanDerWaalsContact O-CG 3.27Å; K1611-Q1615 WeakPolarHBondContact O-CG 3.27Å; K1611-Q1615 PolarHBondContact O-N 3.2Å; K1611-N1659 PolarHBondContact NZ-OD1 3.2Å; K1611-I1662 HydrophobicContact CB-CD1 4.44Å; K1611-I1662 HydrophobicContact CB-CG1 4.25Å; K1611-I1662 HydrophobicContact CB-CG2 4.12Å; K1611-I1662 HydrophobicContact CD-CD1 4.26Å; K1611-I1662 HydrophobicContact CD-CG1 4.1Å; K1611-I1662 HydrophobicContact CG-CD1 3.86Å; K1611-I1662 HydrophobicContact CG-CG1 4.02Å |
| 1612 | M | 94.6 | Very high | 94.8 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.8 | -69.8 | 177.1 | -179.2 | 0 | 0 | 112.1 | T1608 I1609 I1610 Q1615 Q1616 | T1608-M1612 HydrophobicContact CG2-CE 3.82Å; T1608-M1612 WeakPolarHBondContact O-CG 3.02Å; T1608-M1612 PolarHBondContact O-N 3.21Å; I1609-M1612 PolarHBondContact O-N 3.24Å; I1610-M1612 VanDerWaalsContact C-N 3.34Å; I1610-M1612 PolarHBondContact O-N 3.15Å; M1612-Q1615 PolarHBondContact O-N 2.94Å; M1612-Q1616 WeakPolarHBondContact O-CG 3.16Å; M1612-Q1616 PolarHBondContact O-N 2.81Å; M1612-Q1616 VanDerWaalsContact O-N 3.14Å |
| 1613 | A | 93.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1586 I1609 I1610 K1611 Q1616 N1617 L1618 V1620 | M1586-A1613 HydrophobicContact CG-CB 4.14Å; M1586-A1613 HydrophobicContact SD-CB 3.5Å; M1586-A1613 WeakPolarHBondContact SD-CB 3.37Å; I1609-A1613 PolarHBondContact O-N 2.73Å; I1610-A1613 WeakPolarHBondContact O-CB 3.42Å; I1610-A1613 PolarHBondContact O-N 2.95Å; I1610-A1613 VanDerWaalsContact O-N 3.16Å; K1611-A1613 VanDerWaalsContact C-N 3.35Å; K1611-A1613 PolarHBondContact O-N 3.14Å; A1613-Q1616 PolarHBondContact O-N 2.83Å; A1613-N1617 PolarHBondContact O-N 2.84Å; A1613-L1618 HydrophobicContact CB-CB 4.38Å; A1613-L1618 HydrophobicContact CB-CD1 4.03Å; A1613-L1618 WeakPolarHBondContact O-CB 3.35Å; A1613-L1618 PolarHBondContact O-N 2.73Å; A1613-L1618 VanDerWaalsContact O-N 3.07Å; A1613-V1620 HydrophobicContact CB-CG2 4.36Å |
| 1614 | K | 95.3 | Very high | 95.1 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 175.3 | -73 | -168.5 | 177.1 | -171 | 0 | 112.3 | I1610 K1611 Q1616 N1617 V1620 I1662 D1664 | I1610-K1614 PolarHBondContact O-N 3.42Å; K1611-K1614 PolarHBondContact O-N 3.49Å; K1614-Q1616 PolarHBondContact O-N 2.74Å; K1614-N1617 WeakPolarHBondContact O-CA 3.49Å; K1614-N1617 PolarHBondContact O-N 3.1Å; K1614-V1620 WeakPolarHBondContact CE-O 3.33Å; K1614-I1662 HydrophobicContact CD-CG2 4.19Å; K1614-I1662 PolarHBondContact NZ-O 3.35Å; K1614-D1664 IonicContact NZ-OD1 3.93Å; K1614-D1664 PolarHBondContact NZ-OD1 3.09Å; K1614-D1664 IonicContact NZ-OD2 3.99Å; K1614-D1664 PolarHBondContact NZ-OD2 2.87Å |
| 1615 | Q | 94 | Very high | 95.2 | Very high | 135 Ų | 135 | 46.2 Ų | 46.2 | 63% | 0.631 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62 | -26.5 | 174.5 | -74.2 | 172.2 | -14 | 0 | 0 | 113 | K1611 M1612 N1617 | K1611-Q1615 WeakPolarHBondContact O-CB 3.47Å; K1611-Q1615 VanDerWaalsContact O-CG 3.27Å; K1611-Q1615 WeakPolarHBondContact O-CG 3.27Å; K1611-Q1615 PolarHBondContact O-N 3.2Å; M1612-Q1615 PolarHBondContact O-N 2.94Å; Q1615-N1617 VanDerWaalsContact C-N 3.27Å; Q1615-N1617 PolarHBondContact O-N 3.43Å |
| 1616 | Q | 92.1 | Very high | 95.3 | Very high | 134 Ų | 134 | 40 Ų | 40 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 10.5 | 172.9 | -67.4 | 178.3 | 9.4 | 0 | 0 | 113.6 | M1612 A1613 K1614 L1618 | M1612-Q1616 WeakPolarHBondContact O-CG 3.16Å; M1612-Q1616 PolarHBondContact O-N 2.81Å; M1612-Q1616 VanDerWaalsContact O-N 3.14Å; A1613-Q1616 PolarHBondContact O-N 2.83Å; K1614-Q1616 PolarHBondContact O-N 2.74Å; Q1616-L1618 HydrophobicContact CB-CG 4.2Å; Q1616-L1618 PolarHBondContact O-N 3.42Å |
| 1617 | N | 91.6 | Very high | 95.3 | Very high | 148 Ų | 148 | 40 Ų | 40 | 79% | 0.791 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32.7 | -175.5 | -63.5 | -47.2 | 0 | 0 | 0 | 113.2 | A1613 K1614 Q1615 | A1613-N1617 PolarHBondContact O-N 2.84Å; K1614-N1617 WeakPolarHBondContact O-CA 3.49Å; K1614-N1617 PolarHBondContact O-N 3.1Å; Q1615-N1617 VanDerWaalsContact C-N 3.27Å; Q1615-N1617 PolarHBondContact O-N 3.43Å |
| 1618 | L | 93.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | trans | -73.5 | 141.8 | 169.6 | -60.5 | -175.9 | 0 | 0 | 0 | 109.4 | V1589 K1593 A1613 Q1616 V1620 | V1589-L1618 HydrophobicContact CG1-CB 4.19Å; K1593-L1618 HydrophobicContact CD-CD2 4.42Å; A1613-L1618 HydrophobicContact CB-CB 4.38Å; A1613-L1618 HydrophobicContact CB-CD1 4.03Å; A1613-L1618 WeakPolarHBondContact O-CB 3.35Å; A1613-L1618 PolarHBondContact O-N 2.73Å; A1613-L1618 VanDerWaalsContact O-N 3.07Å; Q1616-L1618 HydrophobicContact CB-CG 4.2Å; Q1616-L1618 PolarHBondContact O-N 3.42Å; L1618-V1620 HydrophobicContact CB-CG2 4Å; L1618-V1620 PolarHBondContact O-N 2.83Å | ||
| 1619 | P | 93.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 33% | 0.331 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -75.9 | 68.7 | -178.3 | 32.9 | -37.9 | 0 | 0 | 0 | 111.2 | V1589 R1594 P1595 V1596 | V1589-P1619 HydrophobicContact CG1-CG 3.97Å; R1594-P1619 WeakPolarHBondContact O-CG 3.49Å; P1595-P1619 WeakPolarHBondContact CA-O 3.26Å; V1596-P1619 PolarHBondContact N-O 2.71Å |
| 1620 | V | 96.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | M1586 V1589 V1596 V1598 I1610 A1613 K1614 L1618 | M1586-V1620 HydrophobicContact CE-CG1 3.88Å; M1586-V1620 HydrophobicContact CE-CG2 4.23Å; M1586-V1620 HydrophobicContact SD-CB 4.39Å; M1586-V1620 HydrophobicContact SD-CG1 3.96Å; M1586-V1620 HydrophobicContact SD-CG2 3.71Å; V1589-V1620 HydrophobicContact CB-CG2 4.32Å; V1589-V1620 HydrophobicContact CG1-CG2 3.76Å; V1589-V1620 HydrophobicContact CG2-CG2 4.2Å; V1596-V1620 CarbonylContact O-C 3.22Å; V1596-V1620 VanDerWaalsContact O-CA 3.31Å; V1596-V1620 WeakPolarHBondContact O-CA 3.16Å; V1598-V1620 HydrophobicContact CG2-CG1 4.06Å; I1610-V1620 HydrophobicContact CG2-CG1 4.29Å; A1613-V1620 HydrophobicContact CB-CG2 4.36Å; K1614-V1620 WeakPolarHBondContact CE-O 3.33Å; L1618-V1620 HydrophobicContact CB-CG2 4Å; L1618-V1620 PolarHBondContact O-N 2.83Å |
| 1621 | T | 97.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 165.1 | 167.9 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | V1596 H1597 V1598 D1664 I1722 | V1596-T1621 PolarHBondContact O-N 2.55Å; H1597-T1621 CarbonylContact C-O 3.58Å; H1597-T1621 WeakPolarHBondContact CA-O 3.4Å; H1597-T1621 PolarHBondContact ND1-OG1 2.89Å; V1598-T1621 PolarHBondContact N-O 2.84Å; T1621-D1664 WeakPolarHBondContact CA-OD2 3.36Å; T1621-D1664 WeakPolarHBondContact CB-OD2 3.41Å; T1621-D1664 HydrophobicContact CG2-CB 4.49Å; T1621-I1722 HydrophobicContact CG2-CD1 3.79Å; T1621-I1722 HydrophobicContact CG2-CG1 4.07Å |
| 1622 | C | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | V1598 V1601 I1610 D1664 C1665 | V1598-C1622 HydrophobicContact CB-CB 4.09Å; V1598-C1622 VanDerWaalsContact O-CA 3.3Å; V1598-C1622 WeakPolarHBondContact O-CA 3.26Å; V1601-C1622 HydrophobicContact CG2-CB 3.78Å; I1610-C1622 HydrophobicContact CD1-CB 3.88Å; I1610-C1622 HydrophobicContact CG2-CB 4.25Å; C1622-D1664 PolarHBondContact N-OD2 2.84Å; C1622-D1664 PolarHBondContact O-N 3.32Å; C1622-C1665 PolarHBondContact O-N 2.8Å |
| 1623 | E | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 159.2 | 172.6 | 71.7 | -166.2 | -169.1 | 0 | 0 | 111.7 | V1459 H1460 H1597 V1598 C1599 H1600 V1601 C1665 A1667 | V1459-E1623 VanDerWaalsContact CG2-OE2 3.23Å; V1459-E1623 WeakPolarHBondContact CG2-OE2 3.22Å; H1460-E1623 IonicContact CE1-OE1 2.85Å; H1460-E1623 IonicContact CG-OE1 3.19Å; H1460-E1623 IonicContact ND1-OE1 2.68Å; H1460-E1623 PolarHBondContact ND1-OE1 3.15Å; H1597-E1623 IonicContact CD2-OE2 3.68Å; H1597-E1623 WeakPolarHBondContact NE2-CB 3.42Å; H1597-E1623 IonicContact NE2-OE2 3.56Å; H1597-E1623 PolarHBondContact NE2-OE2 3.26Å; V1598-E1623 PolarHBondContact O-N 2.94Å; V1598-E1623 VanDerWaalsContact O-N 3.09Å; C1599-E1623 WeakPolarHBondContact CA-OE1 3.34Å; C1599-E1623 WeakPolarHBondContact CB-OE1 3.47Å; H1600-E1623 PolarHBondContact N-OE1 2.91Å; V1601-E1623 WeakPolarHBondContact CG2-O 3.49Å; V1601-E1623 PolarHBondContact N-O 2.8Å; E1623-C1665 WeakPolarHBondContact CA-O 3.36Å; E1623-C1665 HydrophobicContact CB-CB 3.86Å; E1623-A1667 HydrophobicContact CB-CB 4.12Å; E1623-A1667 HydrophobicContact CG-CB 4.08Å; E1623-A1667 WeakPolarHBondContact OE2-CB 3.29Å |
| 1624 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.5 | 168 | 74.6 | 0 | 0 | 0 | 0 | 109.3 | H1628 L1629 L1656 I1663 C1665 F1666 A1667 | V1624-H1628 HydrophobicContact CG2-CB 4.3Å; V1624-L1629 HydrophobicContact CG1-CD1 3.69Å; V1624-L1629 HydrophobicContact CG1-CD2 4.18Å; V1624-L1629 HydrophobicContact CG1-CG 3.93Å; V1624-L1629 HydrophobicContact CG2-CD2 4.03Å; V1624-L1629 HydrophobicContact CG2-CG 3.92Å; V1624-L1656 HydrophobicContact CG2-CD1 3.87Å; V1624-L1656 HydrophobicContact CG2-CD2 4.39Å; V1624-L1656 HydrophobicContact CG2-CG 4.49Å; V1624-I1663 HydrophobicContact CB-CD1 3.96Å; V1624-I1663 HydrophobicContact CB-CG2 4.03Å; V1624-I1663 HydrophobicContact CG1-CD1 3.91Å; V1624-I1663 HydrophobicContact CG1-CG2 3.66Å; V1624-I1663 HydrophobicContact CG2-CD1 4.42Å; V1624-C1665 PolarHBondContact N-O 2.56Å; V1624-C1665 VanDerWaalsContact N-O 3.13Å; V1624-F1666 HydrophobicContact CG1-CD1 3.58Å; V1624-F1666 HydrophobicContact CG1-CE1 3.73Å; V1624-F1666 WeakPolarHBondContact O-CA 3.38Å; V1624-A1667 PolarHBondContact O-N 2.62Å; V1624-A1667 VanDerWaalsContact O-N 3.11Å |
| 1625 | T | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -101.3 | 153.2 | 179.3 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | H1600 H1627 H1628 L1629 A1667 D1669 | H1600-T1625 HydrophobicContact CB-CG2 3.43Å; H1600-T1625 VanDerWaalsContact CB-CG2 3.43Å; T1625-H1627 VanDerWaalsContact C-N 3.28Å; T1625-H1627 VanDerWaalsContact CB-CE1 3.43Å; T1625-H1627 WeakPolarHBondContact CB-CE1 3.49Å; T1625-H1627 PolarHBondContact O-N 2.84Å; T1625-H1627 PolarHBondContact OG1-CD2 2.82Å; T1625-H1627 PolarHBondContact OG1-CE1 3.44Å; T1625-H1627 PolarHBondContact OG1-ND1 2.85Å; T1625-H1627 PolarHBondContact OG1-NE2 3.18Å; T1625-H1628 PolarHBondContact O-N 2.81Å; T1625-H1628 VanDerWaalsContact O-N 3.16Å; T1625-H1628 PolarHBondContact OG1-N 3.24Å; T1625-H1628 PolarHBondContact OG1-ND1 3.27Å; T1625-L1629 PolarHBondContact O-N 2.82Å; T1625-L1629 VanDerWaalsContact O-N 3.09Å; T1625-A1667 WeakPolarHBondContact CA-O 3.45Å; T1625-A1667 VanDerWaalsContact CB-O 3.27Å; T1625-A1667 WeakPolarHBondContact CB-O 3.35Å; T1625-A1667 WeakPolarHBondContact CG2-O 3.46Å; T1625-D1669 HydrophobicContact CG2-CB 3.66Å | ||
| 1626 | P | 94.8 | Very high | 94 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.6 | -39.8 | 174.5 | -26.6 | 34.9 | 0 | 0 | 0 | 113 | H1628 L1629 F1630 A1667 M1693 L1696 F1757 | P1626-H1628 VanDerWaalsContact C-N 3.32Å; P1626-H1628 PolarHBondContact O-N 2.93Å; P1626-L1629 PolarHBondContact O-N 3.45Å; P1626-L1629 VanDerWaalsContact O-N 3.14Å; P1626-F1630 HydrophobicContact CB-CD2 4.24Å; P1626-F1630 WeakPolarHBondContact O-CB 3.47Å; P1626-F1630 VanDerWaalsContact O-CD2 3.26Å; P1626-F1630 WeakPolarHBondContact O-CD2 3.29Å; P1626-F1630 PolarHBondContact O-N 3.35Å; P1626-A1667 WeakPolarHBondContact CD-O 3.29Å; P1626-M1693 HydrophobicContact CG-CB 4.16Å; P1626-M1693 HydrophobicContact CG-CG 3.59Å; P1626-M1693 HydrophobicContact CG-SD 3.88Å; P1626-L1696 HydrophobicContact CB-CD1 4.24Å; P1626-F1757 HydrophobicContact CB-CZ 4.41Å |
| 1627 | H | 95.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -31.7 | 179.4 | 52.4 | -99.3 | 0 | 0 | 0 | 112.6 | T1625 L1631 S1668 F1687 F1757 | T1625-H1627 VanDerWaalsContact C-N 3.28Å; T1625-H1627 VanDerWaalsContact CB-CE1 3.43Å; T1625-H1627 WeakPolarHBondContact CB-CE1 3.49Å; T1625-H1627 PolarHBondContact O-N 2.84Å; T1625-H1627 PolarHBondContact OG1-CD2 2.82Å; T1625-H1627 PolarHBondContact OG1-CE1 3.44Å; T1625-H1627 PolarHBondContact OG1-ND1 2.85Å; T1625-H1627 PolarHBondContact OG1-NE2 3.18Å; H1627-L1631 HydrophobicContact CB-CD1 4Å; H1627-L1631 WeakPolarHBondContact O-CA 3.41Å; H1627-L1631 VanDerWaalsContact O-CB 3.22Å; H1627-L1631 WeakPolarHBondContact O-CB 3.25Å; H1627-L1631 PolarHBondContact O-N 2.88Å; H1627-S1668 PolarHBondContact CE1-O 2.76Å; H1627-S1668 VanDerWaalsContact CE1-O 3.29Å; H1627-F1687 HydrophobicContact CB-CD2 3.77Å; H1627-F1687 HydrophobicContact CB-CE2 4.18Å; H1627-F1687 AromaticContact CG-CD2 3.74Å; H1627-F1757 HydrophobicContact CB-CZ 4.02Å |
| 1628 | H | 96.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.3 | -23.4 | 171.9 | -68.4 | 110.3 | 0 | 0 | 0 | 113.5 | V1624 T1625 P1626 P1645 R1653 L1656 | V1624-H1628 HydrophobicContact CG2-CB 4.3Å; T1625-H1628 PolarHBondContact O-N 2.81Å; T1625-H1628 VanDerWaalsContact O-N 3.16Å; T1625-H1628 PolarHBondContact OG1-N 3.24Å; T1625-H1628 PolarHBondContact OG1-ND1 3.27Å; P1626-H1628 VanDerWaalsContact C-N 3.32Å; P1626-H1628 PolarHBondContact O-N 2.93Å; H1628-P1645 PolarHBondContact NE2-O 3.15Å; H1628-R1653 WeakPolarHBondContact O-CG 3.49Å; H1628-L1656 HydrophobicContact CB-CD1 4.03Å |
| 1629 | L | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -83.8 | -36.5 | 174.5 | -73.3 | 176.8 | 0 | 0 | 0 | 113.1 | V1624 T1625 P1626 R1653 L1656 W1657 F1666 | V1624-L1629 HydrophobicContact CG1-CD1 3.69Å; V1624-L1629 HydrophobicContact CG1-CD2 4.18Å; V1624-L1629 HydrophobicContact CG1-CG 3.93Å; V1624-L1629 HydrophobicContact CG2-CD2 4.03Å; V1624-L1629 HydrophobicContact CG2-CG 3.92Å; T1625-L1629 PolarHBondContact O-N 2.82Å; T1625-L1629 VanDerWaalsContact O-N 3.09Å; P1626-L1629 PolarHBondContact O-N 3.45Å; P1626-L1629 VanDerWaalsContact O-N 3.14Å; L1629-R1653 VanDerWaalsContact O-CD 3.32Å; L1629-R1653 WeakPolarHBondContact O-CD 3.18Å; L1629-R1653 VanDerWaalsContact O-CG 3.24Å; L1629-R1653 WeakPolarHBondContact O-CG 3.41Å; L1629-R1653 PolarHBondContact O-NH1 3.18Å; L1629-L1656 HydrophobicContact CD2-CB 3.94Å; L1629-W1657 HydrophobicContact CB-CZ2 3.87Å; L1629-W1657 HydrophobicContact CD1-CZ2 4.23Å; L1629-W1657 HydrophobicContact CD2-CD2 4.15Å; L1629-W1657 HydrophobicContact CD2-CG 4.28Å; L1629-W1657 HydrophobicContact CD2-CZ2 4.3Å; L1629-W1657 HydrophobicContact CG-CZ2 4.37Å; L1629-W1657 PolarHBondContact O-NE1 2.92Å; L1629-F1666 HydrophobicContact CD1-CD1 4.15Å; L1629-F1666 HydrophobicContact CD1-CE1 3.71Å |
| 1630 | F | 94.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -111 | -8 | -167.6 | -70 | -78.5 | 0 | 0 | 0 | 114.5 | P1626 W1657 L1696 L1697 A1700 F1757 R1760 | P1626-F1630 HydrophobicContact CB-CD2 4.24Å; P1626-F1630 WeakPolarHBondContact O-CB 3.47Å; P1626-F1630 VanDerWaalsContact O-CD2 3.26Å; P1626-F1630 WeakPolarHBondContact O-CD2 3.29Å; P1626-F1630 PolarHBondContact O-N 3.35Å; F1630-W1657 HydrophobicContact CD1-CZ2 4.45Å; F1630-W1657 HydrophobicContact CE1-CH2 4.4Å; F1630-W1657 AromaticContact CE1-CZ2 3.92Å; F1630-W1657 HydrophobicContact CE1-CZ2 3.92Å; F1630-W1657 HydrophobicContact CE2-CZ2 4.12Å; F1630-W1657 AromaticContact CZ-CH2 3.98Å; F1630-W1657 HydrophobicContact CZ-CH2 3.98Å; F1630-W1657 AromaticContact CZ-CZ2 3.74Å; F1630-W1657 HydrophobicContact CZ-CZ2 3.74Å; F1630-L1696 HydrophobicContact CD2-CB 4.43Å; F1630-L1696 HydrophobicContact CE2-CB 4.09Å; F1630-L1696 HydrophobicContact CZ-CB 4.39Å; F1630-L1696 WeakPolarHBondContact CZ-O 3.46Å; F1630-L1697 HydrophobicContact CE2-CD2 4.3Å; F1630-A1700 HydrophobicContact CZ-CB 4.18Å; F1630-F1757 HydrophobicContact CB-CE1 4.1Å; F1630-R1760 PolarHBondContact O-NH2 3.22Å |
| 1631 | L | 94.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | trans | -126.4 | 153.8 | 174 | -50.7 | 172.5 | 0 | 0 | 0 | 110.1 | H1627 F1636 L1647 R1653 F1687 P1756 F1757 | H1627-L1631 HydrophobicContact CB-CD1 4Å; H1627-L1631 WeakPolarHBondContact O-CA 3.41Å; H1627-L1631 VanDerWaalsContact O-CB 3.22Å; H1627-L1631 WeakPolarHBondContact O-CB 3.25Å; H1627-L1631 PolarHBondContact O-N 2.88Å; L1631-F1636 HydrophobicContact CD1-CB 4.47Å; L1631-L1647 HydrophobicContact CB-CD1 4.16Å; L1631-L1647 HydrophobicContact CB-CD2 4.31Å; L1631-R1653 WeakPolarHBondContact O-CD 3.27Å; L1631-F1687 HydrophobicContact CD1-CE2 4.47Å; L1631-P1756 HydrophobicContact CD1-CB 3.88Å; L1631-P1756 HydrophobicContact CD1-CG 4.22Å; L1631-F1757 HydrophobicContact CD1-CE1 4.01Å; L1631-F1757 HydrophobicContact CD1-CZ 4.22Å; L1631-F1757 HydrophobicContact CD2-CD1 4.42Å; L1631-F1757 HydrophobicContact CD2-CE1 4.14Å; L1631-F1757 HydrophobicContact CG-CE1 3.91Å; L1631-F1757 HydrophobicContact CG-CZ 4.47Å | ||
| 1632 | S | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | trans | -133.3 | 166.1 | 169 | 54.7 | 0 | 0 | 0 | 0 | 108.9 | E1634 M1635 F1636 E1650 | S1632-E1634 VanDerWaalsContact CB-OE2 3.3Å; S1632-E1634 WeakPolarHBondContact CB-OE2 3.43Å; S1632-E1634 PolarHBondContact O-N 3.03Å; S1632-E1634 VanDerWaalsContact O-N 3.13Å; S1632-E1634 PolarHBondContact OG-OE2 3.07Å; S1632-M1635 PolarHBondContact O-N 3.37Å; S1632-M1635 WeakPolarHBondContact OG-CG 3.35Å; S1632-F1636 PolarHBondContact O-N 3.19Å; S1632-F1636 VanDerWaalsContact O-N 3.08Å; S1632-E1650 VanDerWaalsContact CB-OE2 3.26Å; S1632-E1650 WeakPolarHBondContact CB-OE2 3.39Å; S1632-E1650 PolarHBondContact OG-OE2 3.32Å | ||
| 1633 | K | 90.1 | Very high | 90.8 | Very high | 141 Ų | 141 | 33.2 Ų | 33.2 | 61% | 0.613 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.9 | 179.9 | -167 | 177.6 | -178.3 | -179.7 | 0 | 112.6 | G1648 | K1633-G1648 PolarHBondContact N-O 2.91Š|
| 1634 | E | 87.9 | Confident | 90.3 | Very high | 117 Ų | 117 | 38 Ų | 38 | 55% | 0.547 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -32 | 177.2 | -57.8 | 84.6 | 174 | 0 | 0 | 112.7 | S1632 E1650 | S1632-E1634 VanDerWaalsContact CB-OE2 3.3Å; S1632-E1634 WeakPolarHBondContact CB-OE2 3.43Å; S1632-E1634 PolarHBondContact O-N 3.03Å; S1632-E1634 VanDerWaalsContact O-N 3.13Å; S1632-E1634 PolarHBondContact OG-OE2 3.07Å; E1634-E1650 PolarHBondContact OE2-N 3.36Å |
| 1635 | M | 87.7 | Confident | 90 | Very high | 98 Ų | 98 | 38 Ų | 38 | 48% | 0.483 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -29.7 | -179 | -68 | 176.6 | -173.9 | 0 | 0 | 113.3 | S1632 E1650 | S1632-M1635 PolarHBondContact O-N 3.37Å; S1632-M1635 WeakPolarHBondContact OG-CG 3.35Å; M1635-E1650 VanDerWaalsContact CE-OE2 3.24Å; M1635-E1650 WeakPolarHBondContact CE-OE2 3.19Å |
| 1636 | F | 88 | Confident | 89.6 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -137.9 | 106.7 | -178.4 | -166.6 | -112.5 | 0 | 0 | 0 | 110.4 | L1631 S1632 L1640 S1641 L1647 F1687 W1754 P1756 | L1631-F1636 HydrophobicContact CD1-CB 4.47Å; S1632-F1636 PolarHBondContact O-N 3.19Å; S1632-F1636 VanDerWaalsContact O-N 3.08Å; F1636-L1640 HydrophobicContact CE1-CB 4.32Å; F1636-L1640 HydrophobicContact CZ-CB 3.93Å; F1636-S1641 WeakPolarHBondContact O-CB 3.28Å; F1636-L1647 HydrophobicContact CB-CD1 4.19Å; F1636-L1647 HydrophobicContact CD1-CD1 4.36Å; F1636-F1687 AromaticContact CD1-CZ 3.94Å; F1636-F1687 HydrophobicContact CD1-CZ 3.94Å; F1636-F1687 AromaticContact CE1-CE1 4Å; F1636-F1687 HydrophobicContact CE1-CE1 4Å; F1636-F1687 AromaticContact CE1-CZ 3.85Å; F1636-F1687 HydrophobicContact CE1-CZ 3.85Å; F1636-W1754 HydrophobicContact CZ-CZ3 4.22Å; F1636-P1756 HydrophobicContact CD1-CB 4.37Å; F1636-P1756 HydrophobicContact CE1-CB 3.92Å; F1636-P1756 HydrophobicContact CE2-CB 4.27Å; F1636-P1756 HydrophobicContact CZ-CB 3.88Å |
| 1637 | S | 79.7 | Confident | 89.6 | Confident | 95 Ų | 95 | 41 Ų | 41 | 66% | 0.664 | 23% | 0.229 | S | C | * | . | trans | -132.4 | 162.2 | -176.2 | 75.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1638 | G | 80.9 | Confident | 89.4 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 50% | 0.495 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 107.9 | -172.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1640 S1641 | G1638-L1640 PolarHBondContact O-N 2.71Å; G1638-S1641 PolarHBondContact N-OG 3.31Å; G1638-S1641 WeakPolarHBondContact O-CB 3.49Å; G1638-S1641 PolarHBondContact O-N 3.4Å; G1638-S1641 PolarHBondContact O-OG 3.01Å |
| 1639 | S | 78.2 | Confident | 89.3 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -53.4 | -37.6 | -175.1 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | S1641 L1679 E1682 | S1639-S1641 VanDerWaalsContact C-N 3.31Å; S1639-S1641 PolarHBondContact O-N 2.97Å; S1639-L1679 WeakPolarHBondContact OG-CD2 3.33Å; S1639-E1682 VanDerWaalsContact CB-OE1 3.29Å; S1639-E1682 WeakPolarHBondContact CB-OE1 3.23Å |
| 1640 | L | 87.5 | Confident | 89.2 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -73.9 | -18.5 | 179.4 | -62.7 | -178.6 | 0 | 0 | 0 | 113.5 | F1636 G1638 S1642 I1675 K1678 L1679 F1687 W1754 | F1636-L1640 HydrophobicContact CE1-CB 4.32Å; F1636-L1640 HydrophobicContact CZ-CB 3.93Å; G1638-L1640 PolarHBondContact O-N 2.71Å; L1640-S1642 VanDerWaalsContact C-N 3.31Å; L1640-S1642 PolarHBondContact O-N 3.43Å; L1640-I1675 HydrophobicContact CD2-CG1 4.16Å; L1640-K1678 HydrophobicContact CD2-CB 3.6Å; L1640-K1678 WeakPolarHBondContact O-CE 3.02Å; L1640-K1678 PolarHBondContact O-NZ 2.91Å; L1640-L1679 HydrophobicContact CD2-CD2 4.14Å; L1640-L1679 HydrophobicContact CD2-CG 4.35Å; L1640-L1679 HydrophobicContact CG-CD2 4.47Å; L1640-F1687 VanDerWaalsContact O-CE1 3.25Å; L1640-F1687 WeakPolarHBondContact O-CE1 3.44Å; L1640-W1754 HydrophobicContact CB-CH2 4.21Å; L1640-W1754 HydrophobicContact CB-CZ3 4.02Å; L1640-W1754 HydrophobicContact CD1-CE3 4.32Å; L1640-W1754 HydrophobicContact CD1-CZ3 4.36Å |
| 1641 | S | 89.3 | Confident | 89.2 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -76.1 | -7.7 | -169.6 | 69.3 | 0 | 0 | 0 | 0 | 116.1 | F1636 G1638 S1639 V1643 F1687 | F1636-S1641 WeakPolarHBondContact O-CB 3.28Å; G1638-S1641 PolarHBondContact N-OG 3.31Å; G1638-S1641 WeakPolarHBondContact O-CB 3.49Å; G1638-S1641 PolarHBondContact O-N 3.4Å; G1638-S1641 PolarHBondContact O-OG 3.01Å; S1639-S1641 VanDerWaalsContact C-N 3.31Å; S1639-S1641 PolarHBondContact O-N 2.97Å; S1641-V1643 PolarHBondContact O-N 3.47Å; S1641-F1687 WeakPolarHBondContact O-CZ 3.26Å |
| 1642 | S | 89.2 | Confident | 89.2 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | trans | -68.4 | 121.6 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 113.4 | L1640 K1678 E1682 S1683 L1684 G1686 | L1640-S1642 VanDerWaalsContact C-N 3.31Å; L1640-S1642 PolarHBondContact O-N 3.43Å; S1642-K1678 PolarHBondContact O-NZ 2.86Å; S1642-E1682 WeakPolarHBondContact CB-O 3.39Å; S1642-E1682 PolarHBondContact OG-O 3.06Å; S1642-S1683 PolarHBondContact OG-O 3.3Å; S1642-L1684 WeakPolarHBondContact CB-O 3.29Å; S1642-L1684 PolarHBondContact OG-O 3.36Å; S1642-G1686 PolarHBondContact O-N 3.43Å | ||
| 1643 | V | 91.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | trans | -145.4 | 159.1 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | S1641 P1645 A1646 L1647 F1687 | S1641-V1643 PolarHBondContact O-N 3.47Å; V1643-P1645 CarbonylContact C-O 3.58Å; V1643-P1645 VanDerWaalsContact C-O 3.23Å; V1643-P1645 WeakPolarHBondContact CG1-O 3.22Å; V1643-P1645 CarbonylContact O-C 3.59Å; V1643-A1646 WeakPolarHBondContact O-CA 3.32Å; V1643-A1646 PolarHBondContact O-N 2.82Å; V1643-L1647 HydrophobicContact CG1-CD2 4.15Å; V1643-L1647 HydrophobicContact CG1-CG 3.88Å; V1643-F1687 HydrophobicContact CB-CD2 4.36Å; V1643-F1687 HydrophobicContact CB-CE1 4.18Å; V1643-F1687 HydrophobicContact CB-CE2 4.02Å; V1643-F1687 HydrophobicContact CB-CZ 3.92Å; V1643-F1687 HydrophobicContact CG1-CD2 4.49Å; V1643-F1687 HydrophobicContact CG1-CE2 3.77Å; V1643-F1687 HydrophobicContact CG1-CZ 3.78Å; V1643-F1687 HydrophobicContact CG2-CD2 4.41Å; V1643-F1687 HydrophobicContact CG2-CE2 4.48Å | ||
| 1644 | R | 87.6 | Confident | 89.6 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -132.2 | 114 | 178.1 | -72.1 | -71.3 | -179.5 | -86.1 | -1.3 | 109.8 | P1685 | R1644-P1685 HydrophobicContact CB-CB 3.83Å; R1644-P1685 HydrophobicContact CG-CB 3.49Å; R1644-P1685 VanDerWaalsContact CG-CB 3.49Å; R1644-P1685 HydrophobicContact CG-CG 4.26Å |
| 1645 | P | 90.8 | Very high | 90 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | S | Bend | cis | -63.4 | 155.4 | 1.8 | -22 | 35.3 | 0 | 0 | 0 | 112.6 | E1578 H1600 S1602 H1628 V1643 | E1578-P1645 HydrophobicContact CG-CB 4.21Å; E1578-P1645 HydrophobicContact CG-CG 3.91Å; H1600-P1645 WeakPolarHBondContact ND1-CD 3.48Å; H1600-P1645 WeakPolarHBondContact ND1-CG 3.27Å; S1602-P1645 WeakPolarHBondContact OG-CB 3.28Å; H1628-P1645 PolarHBondContact NE2-O 3.15Å; V1643-P1645 CarbonylContact C-O 3.58Å; V1643-P1645 VanDerWaalsContact C-O 3.23Å; V1643-P1645 WeakPolarHBondContact CG1-O 3.22Å; V1643-P1645 CarbonylContact O-C 3.59Å |
| 1646 | A | 89.8 | Confident | 90.5 | Very high | 53 Ų | 53 | 42.1 Ų | 42.1 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -70.5 | 148.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1643 G1648 | V1643-A1646 WeakPolarHBondContact O-CA 3.32Å; V1643-A1646 PolarHBondContact O-N 2.82Å; A1646-G1648 PolarHBondContact O-N 3.48Å |
| 1647 | L | 92.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 125.5 | 174.1 | -66.7 | -179.8 | 0 | 0 | 0 | 110.5 | L1631 F1636 V1643 F1687 | L1631-L1647 HydrophobicContact CB-CD1 4.16Å; L1631-L1647 HydrophobicContact CB-CD2 4.31Å; F1636-L1647 HydrophobicContact CB-CD1 4.19Å; F1636-L1647 HydrophobicContact CD1-CD1 4.36Å; V1643-L1647 HydrophobicContact CG1-CD2 4.15Å; V1643-L1647 HydrophobicContact CG1-CG 3.88Å; L1647-F1687 HydrophobicContact CD1-CE2 4.27Å; L1647-F1687 HydrophobicContact CD1-CZ 4.38Å; L1647-F1687 HydrophobicContact CD2-CE2 4.26Å; L1647-F1687 HydrophobicContact CG-CE2 4.4Å |
| 1648 | G | 91.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 173.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1633 A1646 | K1633-G1648 PolarHBondContact N-O 2.91Å; A1646-G1648 PolarHBondContact O-N 3.48Å |
| 1649 | T | 94.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 165.7 | 170.1 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | K1651 D1652 R1653 | T1649-K1651 PolarHBondContact O-N 3.47Å; T1649-K1651 VanDerWaalsContact O-N 3.11Å; T1649-D1652 PolarHBondContact N-OD2 3.13Å; T1649-D1652 WeakPolarHBondContact O-CA 3.17Å; T1649-D1652 WeakPolarHBondContact O-CB 3.23Å; T1649-D1652 PolarHBondContact O-N 2.72Å; T1649-D1652 PolarHBondContact OG1-N 3.13Å; T1649-D1652 PolarHBondContact OG1-OD2 3.28Å; T1649-R1653 PolarHBondContact O-N 3.42Å |
| 1650 | E | 93.6 | Very high | 93.1 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.6 | -32.7 | 174.1 | -170.7 | 60.6 | -165.9 | 0 | 0 | 113.3 | S1632 E1634 M1635 D1652 R1653 L1654 | S1632-E1650 VanDerWaalsContact CB-OE2 3.26Å; S1632-E1650 WeakPolarHBondContact CB-OE2 3.39Å; S1632-E1650 PolarHBondContact OG-OE2 3.32Å; E1634-E1650 PolarHBondContact OE2-N 3.36Å; M1635-E1650 VanDerWaalsContact CE-OE2 3.24Å; M1635-E1650 WeakPolarHBondContact CE-OE2 3.19Å; E1650-D1652 VanDerWaalsContact C-N 3.33Å; E1650-D1652 PolarHBondContact O-N 3.41Å; E1650-R1653 PolarHBondContact O-N 2.97Å; E1650-R1653 IonicContact OE1-CZ 3.4Å; E1650-R1653 VanDerWaalsContact OE1-CZ 3.26Å; E1650-R1653 IonicContact OE1-NE 2.77Å; E1650-R1653 PolarHBondContact OE1-NE 3.5Å; E1650-R1653 IonicContact OE1-NH2 3.47Å; E1650-R1653 PolarHBondContact OE1-NH2 3.26Å; E1650-R1653 IonicContact OE2-CZ 3.88Å; E1650-R1653 IonicContact OE2-NE 3.31Å; E1650-R1653 PolarHBondContact OE2-NE 3.38Å; E1650-R1653 VanDerWaalsContact OE2-NE 3.07Å; E1650-L1654 HydrophobicContact CG-CD1 4.47Å; E1650-L1654 WeakPolarHBondContact O-CG 3.2Å; E1650-L1654 PolarHBondContact O-N 2.83Å |
| 1651 | K | 93.7 | Very high | 93.4 | Very high | 154 Ų | 154 | 45.8 Ų | 45.8 | 67% | 0.67 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.8 | -34.7 | 175 | -68 | -174.5 | -179.6 | 178.5 | 0 | 112.8 | T1649 A1655 | T1649-K1651 PolarHBondContact O-N 3.47Å; T1649-K1651 VanDerWaalsContact O-N 3.11Å; K1651-A1655 WeakPolarHBondContact O-CB 3.41Å; K1651-A1655 PolarHBondContact O-N 3.37Å; K1651-A1655 VanDerWaalsContact O-N 3.08Å |
| 1652 | D | 96.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70 | -45.1 | 176.9 | -65.8 | -50.8 | 0 | 0 | 0 | 110.6 | N1603 R1604 T1649 E1650 L1654 A1655 L1656 | N1603-D1652 HydrophobicContact CB-CB 4.15Å; R1604-D1652 PolarHBondContact N-OD1 3.13Å; T1649-D1652 PolarHBondContact N-OD2 3.13Å; T1649-D1652 WeakPolarHBondContact O-CA 3.17Å; T1649-D1652 WeakPolarHBondContact O-CB 3.23Å; T1649-D1652 PolarHBondContact O-N 2.72Å; T1649-D1652 PolarHBondContact OG1-N 3.13Å; T1649-D1652 PolarHBondContact OG1-OD2 3.28Å; E1650-D1652 VanDerWaalsContact C-N 3.33Å; E1650-D1652 PolarHBondContact O-N 3.41Å; D1652-L1654 VanDerWaalsContact C-N 3.35Å; D1652-L1654 PolarHBondContact O-N 2.83Å; D1652-A1655 WeakPolarHBondContact O-CB 3.34Å; D1652-A1655 PolarHBondContact O-N 2.85Å; D1652-L1656 WeakPolarHBondContact O-CG 3.09Å; D1652-L1656 PolarHBondContact O-N 2.8Å; D1652-L1656 VanDerWaalsContact O-N 3.15Å |
| 1653 | R | 96.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -47.4 | 174.8 | -172 | -175.6 | 82.7 | 88.5 | 0.3 | 111.9 | H1628 L1629 L1631 T1649 E1650 L1656 W1657 | H1628-R1653 WeakPolarHBondContact O-CG 3.49Å; L1629-R1653 VanDerWaalsContact O-CD 3.32Å; L1629-R1653 WeakPolarHBondContact O-CD 3.18Å; L1629-R1653 VanDerWaalsContact O-CG 3.24Å; L1629-R1653 WeakPolarHBondContact O-CG 3.41Å; L1629-R1653 PolarHBondContact O-NH1 3.18Å; L1631-R1653 WeakPolarHBondContact O-CD 3.27Å; T1649-R1653 PolarHBondContact O-N 3.42Å; E1650-R1653 PolarHBondContact O-N 2.97Å; E1650-R1653 IonicContact OE1-CZ 3.4Å; E1650-R1653 VanDerWaalsContact OE1-CZ 3.26Å; E1650-R1653 IonicContact OE1-NE 2.77Å; E1650-R1653 PolarHBondContact OE1-NE 3.5Å; E1650-R1653 IonicContact OE1-NH2 3.47Å; E1650-R1653 PolarHBondContact OE1-NH2 3.26Å; E1650-R1653 IonicContact OE2-CZ 3.88Å; E1650-R1653 IonicContact OE2-NE 3.31Å; E1650-R1653 PolarHBondContact OE2-NE 3.38Å; E1650-R1653 VanDerWaalsContact OE2-NE 3.07Å; R1653-L1656 PolarHBondContact O-N 3.27Å; R1653-W1657 PolarHBondContact O-N 2.91Å |
| 1654 | L | 95.4 | Very high | 94.5 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.8 | -70.4 | 173.6 | 0 | 0 | 0 | 112.1 | E1650 D1652 L1656 W1657 E1658 | E1650-L1654 HydrophobicContact CG-CD1 4.47Å; E1650-L1654 WeakPolarHBondContact O-CG 3.2Å; E1650-L1654 PolarHBondContact O-N 2.83Å; D1652-L1654 VanDerWaalsContact C-N 3.35Å; D1652-L1654 PolarHBondContact O-N 2.83Å; L1654-L1656 PolarHBondContact O-N 2.99Å; L1654-W1657 PolarHBondContact O-N 3.37Å; L1654-W1657 VanDerWaalsContact O-N 3.11Å; L1654-E1658 WeakPolarHBondContact O-CG 3.3Å; L1654-E1658 PolarHBondContact O-N 3.46Å |
| 1655 | A | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R1604 K1651 D1652 N1659 | R1604-A1655 HydrophobicContact CB-CB 3.72Å; R1604-A1655 HydrophobicContact CG-CB 3.82Å; K1651-A1655 WeakPolarHBondContact O-CB 3.41Å; K1651-A1655 PolarHBondContact O-N 3.37Å; K1651-A1655 VanDerWaalsContact O-N 3.08Å; D1652-A1655 WeakPolarHBondContact O-CB 3.34Å; D1652-A1655 PolarHBondContact O-N 2.85Å; A1655-N1659 PolarHBondContact O-N 2.83Å; A1655-N1659 PolarHBondContact O-ND2 3.28Å |
| 1656 | L | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | 173.1 | -62.8 | 172.5 | 0 | 0 | 0 | 111.5 | V1601 I1607 V1624 H1628 L1629 D1652 R1653 L1654 N1659 L1660 | V1601-L1656 HydrophobicContact CG1-CD2 3.99Å; I1607-L1656 HydrophobicContact CB-CD2 4.32Å; V1624-L1656 HydrophobicContact CG2-CD1 3.87Å; V1624-L1656 HydrophobicContact CG2-CD2 4.39Å; V1624-L1656 HydrophobicContact CG2-CG 4.49Å; H1628-L1656 HydrophobicContact CB-CD1 4.03Å; L1629-L1656 HydrophobicContact CD2-CB 3.94Å; D1652-L1656 WeakPolarHBondContact O-CG 3.09Å; D1652-L1656 PolarHBondContact O-N 2.8Å; D1652-L1656 VanDerWaalsContact O-N 3.15Å; R1653-L1656 PolarHBondContact O-N 3.27Å; L1654-L1656 PolarHBondContact O-N 2.99Å; L1656-N1659 CarbonylContact O-C 3.59Å; L1656-N1659 PolarHBondContact O-N 3.36Å; L1656-L1660 PolarHBondContact O-N 2.8Å |
| 1657 | W | 96.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 174.8 | -79.4 | 102.1 | 0 | 0 | 0 | 112.5 | L1629 F1630 R1653 L1654 N1659 L1660 A1700 R1705 L1706 | L1629-W1657 HydrophobicContact CB-CZ2 3.87Å; L1629-W1657 HydrophobicContact CD1-CZ2 4.23Å; L1629-W1657 HydrophobicContact CD2-CD2 4.15Å; L1629-W1657 HydrophobicContact CD2-CG 4.28Å; L1629-W1657 HydrophobicContact CD2-CZ2 4.3Å; L1629-W1657 HydrophobicContact CG-CZ2 4.37Å; L1629-W1657 PolarHBondContact O-NE1 2.92Å; F1630-W1657 HydrophobicContact CD1-CZ2 4.45Å; F1630-W1657 HydrophobicContact CE1-CH2 4.4Å; F1630-W1657 AromaticContact CE1-CZ2 3.92Å; F1630-W1657 HydrophobicContact CE1-CZ2 3.92Å; F1630-W1657 HydrophobicContact CE2-CZ2 4.12Å; F1630-W1657 AromaticContact CZ-CH2 3.98Å; F1630-W1657 HydrophobicContact CZ-CH2 3.98Å; F1630-W1657 AromaticContact CZ-CZ2 3.74Å; F1630-W1657 HydrophobicContact CZ-CZ2 3.74Å; R1653-W1657 PolarHBondContact O-N 2.91Å; L1654-W1657 PolarHBondContact O-N 3.37Å; L1654-W1657 VanDerWaalsContact O-N 3.11Å; W1657-N1659 PolarHBondContact O-N 3.07Å; W1657-L1660 HydrophobicContact CD2-CD1 4.33Å; W1657-L1660 HydrophobicContact CE3-CD1 3.33Å; W1657-L1660 HydrophobicContact CE3-CG 4.35Å; W1657-L1660 HydrophobicContact CZ3-CD1 3.64Å; W1657-L1660 PolarHBondContact O-N 2.82Å; W1657-A1700 HydrophobicContact CH2-CB 4.14Å; W1657-R1705 VanDerWaalsContact CD1-NH2 3.32Å; W1657-R1705 HydrophobicContact CZ3-CB 4.26Å; W1657-R1705 VanDerWaalsContact NE1-NH2 3.14Å; W1657-L1706 HydrophobicContact CH2-CD1 4.41Å; W1657-L1706 HydrophobicContact CH2-CG 4.39Å; W1657-L1706 HydrophobicContact CZ3-CD1 4.49Å; W1657-L1706 HydrophobicContact CZ3-CD2 4.02Å; W1657-L1706 HydrophobicContact CZ3-CG 4.04Å |
| 1658 | E | 94.8 | Very high | 95.8 | Very high | 150 Ų | 150 | 37.2 Ų | 37.2 | 70% | 0.701 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.8 | -20.6 | 177.7 | -72.7 | 173.7 | -175.6 | 0 | 0 | 113.5 | L1654 | L1654-E1658 WeakPolarHBondContact O-CG 3.3Å; L1654-E1658 PolarHBondContact O-N 3.46Å |
| 1659 | N | 96.4 | Very high | 96 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 30.3 | 179.9 | -66.9 | -90 | 0 | 0 | 0 | 112.1 | I1607 K1611 A1655 L1656 W1657 D1661 I1662 | I1607-N1659 HydrophobicContact CG1-CB 3.76Å; K1611-N1659 PolarHBondContact NZ-OD1 3.2Å; A1655-N1659 PolarHBondContact O-N 2.83Å; A1655-N1659 PolarHBondContact O-ND2 3.28Å; L1656-N1659 CarbonylContact O-C 3.59Å; L1656-N1659 PolarHBondContact O-N 3.36Å; W1657-N1659 PolarHBondContact O-N 3.07Å; N1659-D1661 WeakPolarHBondContact CA-OD1 3.43Å; N1659-D1661 PolarHBondContact O-N 3.19Å; N1659-I1662 HydrophobicContact CB-CB 4.38Å; N1659-I1662 HydrophobicContact CB-CG1 4.14Å; N1659-I1662 WeakPolarHBondContact O-CB 3.42Å; N1659-I1662 PolarHBondContact O-N 3.13Å |
| 1660 | L | 94.7 | Very high | 96 | Very high | 22 Ų | 22 | 34 Ų | 34 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -55.4 | -33.4 | 177 | -102 | 165.9 | 0 | 0 | 0 | 113.1 | L1656 W1657 I1662 I1663 F1666 L1706 R1714 | L1656-L1660 PolarHBondContact O-N 2.8Å; W1657-L1660 HydrophobicContact CD2-CD1 4.33Å; W1657-L1660 HydrophobicContact CE3-CD1 3.33Å; W1657-L1660 HydrophobicContact CE3-CG 4.35Å; W1657-L1660 HydrophobicContact CZ3-CD1 3.64Å; W1657-L1660 PolarHBondContact O-N 2.82Å; L1660-I1662 PolarHBondContact O-N 2.84Å; L1660-I1663 PolarHBondContact O-N 3.05Å; L1660-I1663 VanDerWaalsContact O-N 3.08Å; L1660-F1666 HydrophobicContact CD2-CE1 3.93Å; L1660-F1666 HydrophobicContact CD2-CZ 3.79Å; L1660-L1706 HydrophobicContact CD1-CD2 3.74Å; L1660-L1706 HydrophobicContact CD2-CD2 4.31Å; L1660-R1714 PolarHBondContact O-NE 2.93Å; L1660-R1714 PolarHBondContact O-NH2 3.09Å |
| 1661 | D | 93.4 | Very high | 96 | Very high | 110 Ų | 110 | 31.7 Ų | 31.7 | 59% | 0.588 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -61.4 | -25.9 | 175.2 | 64.7 | -49 | 0 | 0 | 0 | 113.3 | N1659 | N1659-D1661 WeakPolarHBondContact CA-OD1 3.43Å; N1659-D1661 PolarHBondContact O-N 3.19Å |
| 1662 | I | 96.1 | Very high | 96 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 9% | 0.092 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -84 | -21.1 | 176.3 | -52.6 | -54 | 0 | 0 | 0 | 111.4 | I1607 I1610 K1611 K1614 N1659 L1660 | I1607-I1662 HydrophobicContact CD1-CB 4.15Å; I1607-I1662 HydrophobicContact CD1-CG2 3.82Å; I1607-I1662 HydrophobicContact CG1-CG2 4.45Å; I1610-I1662 HydrophobicContact CG2-CG2 4.23Å; K1611-I1662 HydrophobicContact CB-CD1 4.44Å; K1611-I1662 HydrophobicContact CB-CG1 4.25Å; K1611-I1662 HydrophobicContact CB-CG2 4.12Å; K1611-I1662 HydrophobicContact CD-CD1 4.26Å; K1611-I1662 HydrophobicContact CD-CG1 4.1Å; K1611-I1662 HydrophobicContact CG-CD1 3.86Å; K1611-I1662 HydrophobicContact CG-CG1 4.02Å; K1614-I1662 HydrophobicContact CD-CG2 4.19Å; K1614-I1662 PolarHBondContact NZ-O 3.35Å; N1659-I1662 HydrophobicContact CB-CB 4.38Å; N1659-I1662 HydrophobicContact CB-CG1 4.14Å; N1659-I1662 WeakPolarHBondContact O-CB 3.42Å; N1659-I1662 PolarHBondContact O-N 3.13Å; L1660-I1662 PolarHBondContact O-N 2.84Å |
| 1663 | I | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | -87.9 | 122.2 | -175.7 | -62.6 | 168.9 | 0 | 0 | 0 | 110 | I1607 V1624 L1660 C1665 R1714 | I1607-I1663 HydrophobicContact CD1-CG1 3.9Å; V1624-I1663 HydrophobicContact CB-CD1 3.96Å; V1624-I1663 HydrophobicContact CB-CG2 4.03Å; V1624-I1663 HydrophobicContact CG1-CD1 3.91Å; V1624-I1663 HydrophobicContact CG1-CG2 3.66Å; V1624-I1663 HydrophobicContact CG2-CD1 4.42Å; L1660-I1663 PolarHBondContact O-N 3.05Å; L1660-I1663 VanDerWaalsContact O-N 3.08Å; I1663-C1665 WeakPolarHBondContact CG2-O 3.28Å; I1663-R1714 PolarHBondContact O-NE 2.83Å | ||
| 1664 | D | 98.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 23 Ų | 23 | 10% | 0.102 | 12% | 0.118 | C | C | . | . | trans | -90.2 | -33.5 | -174.7 | -50.6 | -81.2 | 0 | 0 | 0 | 113.5 | K1614 T1621 C1622 R1714 N1718 I1722 | K1614-D1664 IonicContact NZ-OD1 3.93Å; K1614-D1664 PolarHBondContact NZ-OD1 3.09Å; K1614-D1664 IonicContact NZ-OD2 3.99Å; K1614-D1664 PolarHBondContact NZ-OD2 2.87Å; T1621-D1664 WeakPolarHBondContact CA-OD2 3.36Å; T1621-D1664 WeakPolarHBondContact CB-OD2 3.41Å; T1621-D1664 HydrophobicContact CG2-CB 4.49Å; C1622-D1664 PolarHBondContact N-OD2 2.84Å; C1622-D1664 PolarHBondContact O-N 3.32Å; D1664-R1714 WeakPolarHBondContact O-CA 3.12Å; D1664-R1714 WeakPolarHBondContact O-CG 3.34Å; D1664-N1718 HydrophobicContact CB-CB 4.42Å; D1664-N1718 WeakPolarHBondContact O-CB 3.22Å; D1664-N1718 PolarHBondContact O-ND2 3.37Å; D1664-I1722 HydrophobicContact CB-CD1 3.8Å | ||
| 1665 | C | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.8 | -175.9 | -61.2 | 0 | 0 | 0 | 0 | 112 | V1459 C1622 E1623 V1624 I1663 R1714 | V1459-C1665 HydrophobicContact CG2-CB 4.14Å; C1622-C1665 PolarHBondContact O-N 2.8Å; E1623-C1665 WeakPolarHBondContact CA-O 3.36Å; E1623-C1665 HydrophobicContact CB-CB 3.86Å; V1624-C1665 PolarHBondContact N-O 2.56Å; V1624-C1665 VanDerWaalsContact N-O 3.13Å; I1663-C1665 WeakPolarHBondContact CG2-O 3.28Å; C1665-R1714 VanDerWaalsContact CA-O 3.31Å; C1665-R1714 WeakPolarHBondContact CA-O 3.44Å |
| 1666 | F | 98.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.8 | 156.8 | -64.7 | -48.1 | 0 | 0 | 0 | 108.1 | V1624 L1629 L1660 L1697 L1706 R1714 L1715 | V1624-F1666 HydrophobicContact CG1-CD1 3.58Å; V1624-F1666 HydrophobicContact CG1-CE1 3.73Å; V1624-F1666 WeakPolarHBondContact O-CA 3.38Å; L1629-F1666 HydrophobicContact CD1-CD1 4.15Å; L1629-F1666 HydrophobicContact CD1-CE1 3.71Å; L1660-F1666 HydrophobicContact CD2-CE1 3.93Å; L1660-F1666 HydrophobicContact CD2-CZ 3.79Å; F1666-L1697 HydrophobicContact CB-CD1 4.5Å; F1666-L1697 HydrophobicContact CD2-CD1 3.69Å; F1666-L1697 HydrophobicContact CD2-CD2 4.04Å; F1666-L1697 HydrophobicContact CE2-CD1 4.19Å; F1666-L1697 HydrophobicContact CE2-CD2 3.85Å; F1666-L1697 HydrophobicContact CG-CD1 4.24Å; F1666-L1697 HydrophobicContact CG-CD2 4.48Å; F1666-L1697 HydrophobicContact CZ-CD2 4.13Å; F1666-L1706 HydrophobicContact CE2-CD1 4.34Å; F1666-L1706 HydrophobicContact CZ-CD1 4.31Å; F1666-R1714 HydrophobicContact CD2-CB 3.53Å; F1666-R1714 HydrophobicContact CD2-CG 4.46Å; F1666-R1714 HydrophobicContact CE2-CB 3.77Å; F1666-R1714 HydrophobicContact CE2-CG 4.29Å; F1666-R1714 HydrophobicContact CG-CB 4Å; F1666-R1714 HydrophobicContact CZ-CB 4.41Å; F1666-R1714 VanDerWaalsContact CZ-CD 3.45Å; F1666-R1714 PolarHBondContact N-O 3.17Å; F1666-L1715 HydrophobicContact CB-CD2 3.74Å; F1666-L1715 HydrophobicContact CB-CG 4.15Å; F1666-L1715 HydrophobicContact CD2-CG 4.25Å; F1666-L1715 WeakPolarHBondContact O-CD2 3.44Å |
| 1667 | A | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -141 | 134.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D1458 V1459 H1460 E1623 V1624 T1625 P1626 D1669 | D1458-A1667 WeakPolarHBondContact OD1-CA 3.48Å; V1459-A1667 HydrophobicContact CG2-CB 3.76Å; H1460-A1667 HydrophobicContact CB-CB 3.62Å; E1623-A1667 HydrophobicContact CB-CB 4.12Å; E1623-A1667 HydrophobicContact CG-CB 4.08Å; E1623-A1667 WeakPolarHBondContact OE2-CB 3.29Å; V1624-A1667 PolarHBondContact O-N 2.62Å; V1624-A1667 VanDerWaalsContact O-N 3.11Å; T1625-A1667 WeakPolarHBondContact CA-O 3.45Å; T1625-A1667 VanDerWaalsContact CB-O 3.27Å; T1625-A1667 WeakPolarHBondContact CB-O 3.35Å; T1625-A1667 WeakPolarHBondContact CG2-O 3.46Å; P1626-A1667 WeakPolarHBondContact CD-O 3.29Å; A1667-D1669 PolarHBondContact O-N 3.32Å | ||
| 1668 | S | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -67.3 | -27.7 | -175.1 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | D1458 H1627 H1670 | D1458-S1668 PolarHBondContact OD1-N 2.94Å; D1458-S1668 VanDerWaalsContact OD1-N 3.17Å; D1458-S1668 WeakPolarHBondContact OD2-CB 3.31Å; D1458-S1668 PolarHBondContact OD2-N 2.81Å; D1458-S1668 PolarHBondContact OD2-OG 3.43Å; H1627-S1668 PolarHBondContact CE1-O 2.76Å; H1627-S1668 VanDerWaalsContact CE1-O 3.29Å; S1668-H1670 PolarHBondContact O-N 2.77Å; S1668-H1670 VanDerWaalsContact OG-CB 3.27Å; S1668-H1670 WeakPolarHBondContact OG-CB 3.19Å; S1668-H1670 PolarHBondContact OG-N 2.88Å; S1668-H1670 VanDerWaalsContact OG-N 3.15Å | ||
| 1669 | D | 94.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | trans | 45.5 | 50 | -161.1 | -173.7 | 33.1 | 0 | 0 | 0 | 110.1 | H1460 H1462 H1600 T1625 A1667 A1671 | H1460-D1669 IonicContact CD2-OD1 3.45Å; H1460-D1669 PolarHBondContact CD2-OD1 3.42Å; H1460-D1669 VanDerWaalsContact CD2-OD1 3.23Å; H1460-D1669 IonicContact CE1-OD1 2.71Å; H1460-D1669 IonicContact CG-OD1 3.66Å; H1460-D1669 IonicContact NE2-OD1 3.65Å; H1460-D1669 PolarHBondContact NE2-OD1 2.75Å; H1460-D1669 VanDerWaalsContact O-CA 3.28Å; H1460-D1669 WeakPolarHBondContact O-CA 3.23Å; H1460-D1669 PolarHBondContact O-N 3.04Å; H1462-D1669 IonicContact CD2-OD1 2.71Å; H1462-D1669 PolarHBondContact CD2-OD1 3.46Å; H1462-D1669 IonicContact NE2-OD1 3.4Å; H1462-D1669 PolarHBondContact NE2-OD1 3.04Å; H1600-D1669 IonicContact CD2-OD2 3.77Å; T1625-D1669 HydrophobicContact CG2-CB 3.66Å; A1667-D1669 PolarHBondContact O-N 3.32Å; D1669-A1671 VanDerWaalsContact C-N 3.33Å; D1669-A1671 PolarHBondContact O-N 3.18Å | ||
| 1670 | H | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -64 | 96.1 | 178.8 | 180 | 86 | 0 | 0 | 0 | 109.3 | H1460 V1461 H1462 E1472 S1668 P1672 P1688 G1689 L1690 C1750 | H1460-H1670 PolarHBondContact O-N 3Å; V1461-H1670 HydrophobicContact CG1-CB 4.27Å; H1462-H1670 WeakPolarHBondContact CB-O 3.37Å; H1462-H1670 PolarHBondContact CD2-O 3.22Å; H1462-H1670 VanDerWaalsContact CD2-O 3.32Å; H1462-H1670 PolarHBondContact N-O 3.23Å; E1472-H1670 IonicContact OE2-CE1 3.3Å; E1472-H1670 IonicContact OE2-NE2 3.48Å; E1472-H1670 PolarHBondContact OE2-NE2 3.01Å; E1472-H1670 VanDerWaalsContact OE2-NE2 3.16Å; S1668-H1670 PolarHBondContact O-N 2.77Å; S1668-H1670 VanDerWaalsContact OG-CB 3.27Å; S1668-H1670 WeakPolarHBondContact OG-CB 3.19Å; S1668-H1670 PolarHBondContact OG-N 2.88Å; S1668-H1670 VanDerWaalsContact OG-N 3.15Å; H1670-P1672 VanDerWaalsContact C-CD 3.41Å; H1670-P1672 VanDerWaalsContact O-CD 3.25Å; H1670-P1672 WeakPolarHBondContact O-CD 3.4Å; H1670-P1688 WeakPolarHBondContact ND1-CA 3.45Å; H1670-G1689 PolarHBondContact ND1-N 3.27Å; H1670-L1690 HydrophobicContact CB-CB 3.89Å; H1670-L1690 WeakPolarHBondContact ND1-CB 3.49Å; H1670-L1690 PolarHBondContact ND1-N 3.47Å; H1670-C1750 VanDerWaalsContact CE1-SG 3.58Å |
| 1671 | A | 93.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -120.3 | 71.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | D1669 G1686 F1687 | D1669-A1671 VanDerWaalsContact C-N 3.33Å; D1669-A1671 PolarHBondContact O-N 3.18Å; A1671-G1686 CarbonylContact O-C 3.51Å; A1671-G1686 VanDerWaalsContact O-C 3.31Å; A1671-G1686 WeakPolarHBondContact O-CA 3.26Å; A1671-F1687 PolarHBondContact N-O 3.08Å; A1671-F1687 PolarHBondContact O-N 3.47Å | ||
| 1672 | P | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -69.5 | 144.4 | -169.3 | 25.1 | -32.5 | 0 | 0 | 0 | 112.5 | R1464 E1472 H1670 P1688 | R1464-P1672 HydrophobicContact CG-CG 4.04Å; R1464-P1672 PolarHBondContact NE-O 3.16Å; R1464-P1672 PolarHBondContact NH2-O 3.2Å; E1472-P1672 HydrophobicContact CB-CB 4.43Å; E1472-P1672 HydrophobicContact CB-CG 3.57Å; E1472-P1672 HydrophobicContact CG-CG 4.13Å; H1670-P1672 VanDerWaalsContact C-CD 3.41Å; H1670-P1672 VanDerWaalsContact O-CD 3.25Å; H1670-P1672 WeakPolarHBondContact O-CD 3.4Å; P1672-P1688 HydrophobicContact CB-CB 4.46Å | ||
| 1673 | H | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -139.9 | 141.6 | 169.8 | -79.1 | -86.6 | 0 | 0 | 0 | 107.7 | R1464 K1471 E1677 K1678 P1685 S1752 W1754 | R1464-H1673 PolarHBondContact NH2-CD2 3.23Å; R1464-H1673 PolarHBondContact NH2-NE2 3.47Å; R1464-H1673 VanDerWaalsContact NH2-NE2 3.11Å; K1471-H1673 PolarHBondContact NZ-CE1 3.15Å; K1471-H1673 PolarHBondContact NZ-ND1 3.24Å; K1471-H1673 VanDerWaalsContact NZ-ND1 3.2Å; H1673-E1677 IonicContact CG-OE2 2.96Å; H1673-E1677 IonicContact ND1-OE2 2.81Å; H1673-E1677 PolarHBondContact ND1-OE2 3.15Å; H1673-E1677 VanDerWaalsContact ND1-OE2 3.16Å; H1673-K1678 HydrophobicContact CB-CD 4Å; H1673-K1678 HydrophobicContact CB-CG 3.72Å; H1673-P1685 PolarHBondContact CD2-O 3.44Å; H1673-P1685 PolarHBondContact NE2-O 3.36Å; H1673-S1752 WeakPolarHBondContact O-CB 3.36Å; H1673-W1754 PolarHBondContact O-NE1 3.14Å | ||
| 1674 | T | 90.6 | Very high | 90 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | trans | -63.3 | 151.3 | 177.1 | 65.6 | 0 | 0 | 0 | 0 | 110 | E1676 E1677 K1678 | T1674-E1676 PolarHBondContact O-N 2.86Å; T1674-E1677 WeakPolarHBondContact O-CB 3.33Å; T1674-E1677 PolarHBondContact O-N 2.78Å; T1674-E1677 VanDerWaalsContact O-N 3.15Å; T1674-E1677 WeakPolarHBondContact OG1-CB 3.5Å; T1674-E1677 VanDerWaalsContact OG1-CG 3.25Å; T1674-E1677 WeakPolarHBondContact OG1-CG 3.11Å; T1674-E1677 PolarHBondContact OG1-N 2.65Å; T1674-K1678 PolarHBondContact O-N 3.44Å; T1674-K1678 VanDerWaalsContact O-N 3.09Å | ||
| 1675 | I | 86.7 | Confident | 89.4 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 36% | 0.359 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58 | -38.9 | 179.1 | -164.2 | 168.8 | 0 | 0 | 0 | 111.4 | L1640 E1677 K1678 L1679 W1754 | L1640-I1675 HydrophobicContact CD2-CG1 4.16Å; I1675-E1677 PolarHBondContact O-N 3.11Å; I1675-K1678 PolarHBondContact O-N 3.47Å; I1675-L1679 HydrophobicContact CG1-CD1 4.18Å; I1675-L1679 HydrophobicContact CG1-CG 4.45Å; I1675-L1679 WeakPolarHBondContact O-CB 3.47Å; I1675-L1679 VanDerWaalsContact O-CG 3.25Å; I1675-L1679 WeakPolarHBondContact O-CG 3.49Å; I1675-L1679 PolarHBondContact O-N 2.66Å; I1675-W1754 HydrophobicContact CB-CB 4.48Å; I1675-W1754 HydrophobicContact CB-CG 4.3Å; I1675-W1754 HydrophobicContact CD1-CB 4.24Å |
| 1676 | E | 87.6 | Confident | 89 | Confident | 147 Ų | 147 | 39.8 Ų | 39.8 | 69% | 0.687 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60.7 | -42.9 | 176.2 | -63.2 | 177.3 | 176.7 | 0 | 0 | 112.7 | T1674 L1679 T1680 | T1674-E1676 PolarHBondContact O-N 2.86Å; E1676-L1679 PolarHBondContact O-N 3.39Å; E1676-T1680 WeakPolarHBondContact O-CB 3.22Å; E1676-T1680 WeakPolarHBondContact O-CG2 3.03Å; E1676-T1680 PolarHBondContact O-N 2.77Å; E1676-T1680 PolarHBondContact O-OG1 2.79Å |
| 1677 | E | 88.7 | Confident | 88.7 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.6 | -78.9 | -179.8 | 173.8 | 0 | 0 | 111.3 | H1470 K1471 H1673 T1674 I1675 L1679 T1680 N1681 L1684 | H1470-E1677 IonicContact CD2-OE1 3Å; H1470-E1677 IonicContact CE1-OE1 2.69Å; H1470-E1677 IonicContact NE2-OE1 3.28Å; H1470-E1677 PolarHBondContact NE2-OE1 3.4Å; K1471-E1677 WeakPolarHBondContact CD-OE2 2.98Å; K1471-E1677 WeakPolarHBondContact CE-OE1 3.3Å; K1471-E1677 WeakPolarHBondContact CE-OE2 3.44Å; K1471-E1677 VanDerWaalsContact NZ-CD 3.3Å; K1471-E1677 IonicContact NZ-OE1 3.94Å; K1471-E1677 PolarHBondContact NZ-OE1 3.1Å; K1471-E1677 IonicContact NZ-OE2 2.7Å; K1471-E1677 PolarHBondContact NZ-OE2 3.29Å; H1673-E1677 IonicContact CG-OE2 2.96Å; H1673-E1677 IonicContact ND1-OE2 2.81Å; H1673-E1677 PolarHBondContact ND1-OE2 3.15Å; H1673-E1677 VanDerWaalsContact ND1-OE2 3.16Å; T1674-E1677 WeakPolarHBondContact O-CB 3.33Å; T1674-E1677 PolarHBondContact O-N 2.78Å; T1674-E1677 VanDerWaalsContact O-N 3.15Å; T1674-E1677 WeakPolarHBondContact OG1-CB 3.5Å; T1674-E1677 VanDerWaalsContact OG1-CG 3.25Å; T1674-E1677 WeakPolarHBondContact OG1-CG 3.11Å; T1674-E1677 PolarHBondContact OG1-N 2.65Å; I1675-E1677 PolarHBondContact O-N 3.11Å; E1677-L1679 VanDerWaalsContact C-N 3.3Å; E1677-L1679 PolarHBondContact O-N 3.04Å; E1677-T1680 WeakPolarHBondContact CA-OG1 3.43Å; E1677-T1680 PolarHBondContact O-N 3.36Å; E1677-T1680 PolarHBondContact O-OG1 2.71Å; E1677-T1680 VanDerWaalsContact O-OG1 3.06Å; E1677-N1681 PolarHBondContact O-N 3.48Å; E1677-L1684 HydrophobicContact CB-CD1 3.72Å; E1677-L1684 WeakPolarHBondContact O-CD1 3.33Å |
| 1678 | K | 87.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -33 | -179.9 | -71.6 | -79.3 | -79 | 161.6 | 0 | 112.6 | L1640 S1642 H1673 T1674 I1675 L1684 W1754 | L1640-K1678 HydrophobicContact CD2-CB 3.6Å; L1640-K1678 WeakPolarHBondContact O-CE 3.02Å; L1640-K1678 PolarHBondContact O-NZ 2.91Å; S1642-K1678 PolarHBondContact O-NZ 2.86Å; H1673-K1678 HydrophobicContact CB-CD 4Å; H1673-K1678 HydrophobicContact CB-CG 3.72Å; T1674-K1678 PolarHBondContact O-N 3.44Å; T1674-K1678 VanDerWaalsContact O-N 3.09Å; I1675-K1678 PolarHBondContact O-N 3.47Å; K1678-L1684 HydrophobicContact CD-CB 4.15Å; K1678-L1684 PolarHBondContact NZ-O 3.01Å; K1678-W1754 HydrophobicContact CD-CZ2 4.22Å; K1678-W1754 HydrophobicContact CG-CZ2 3.89Å |
| 1679 | L | 86.8 | Confident | 88.3 | Confident | 97 Ų | 97 | 40 Ų | 40 | 51% | 0.508 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -76.3 | -32 | 176.2 | -68.7 | 174.8 | 0 | 0 | 0 | 112.8 | S1639 L1640 I1675 E1676 E1677 | S1639-L1679 WeakPolarHBondContact OG-CD2 3.33Å; L1640-L1679 HydrophobicContact CD2-CD2 4.14Å; L1640-L1679 HydrophobicContact CD2-CG 4.35Å; L1640-L1679 HydrophobicContact CG-CD2 4.47Å; I1675-L1679 HydrophobicContact CG1-CD1 4.18Å; I1675-L1679 HydrophobicContact CG1-CG 4.45Å; I1675-L1679 WeakPolarHBondContact O-CB 3.47Å; I1675-L1679 VanDerWaalsContact O-CG 3.25Å; I1675-L1679 WeakPolarHBondContact O-CG 3.49Å; I1675-L1679 PolarHBondContact O-N 2.66Å; E1676-L1679 PolarHBondContact O-N 3.39Å; E1677-L1679 VanDerWaalsContact C-N 3.3Å; E1677-L1679 PolarHBondContact O-N 3.04Å |
| 1680 | T | 85.1 | Confident | 88.1 | Confident | 121 Ų | 121 | 39.9 Ų | 39.9 | 74% | 0.742 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -84.3 | -30.2 | 179.5 | 49 | 0 | 0 | 0 | 0 | 113.3 | E1676 E1677 | E1676-T1680 WeakPolarHBondContact O-CB 3.22Å; E1676-T1680 WeakPolarHBondContact O-CG2 3.03Å; E1676-T1680 PolarHBondContact O-N 2.77Å; E1676-T1680 PolarHBondContact O-OG1 2.79Å; E1677-T1680 WeakPolarHBondContact CA-OG1 3.43Å; E1677-T1680 PolarHBondContact O-N 3.36Å; E1677-T1680 PolarHBondContact O-OG1 2.71Å; E1677-T1680 VanDerWaalsContact O-OG1 3.06Å |
| 1681 | N | 82.4 | Confident | 87.8 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | trans | -134.2 | 90.8 | 177.1 | -175.8 | -1.3 | 0 | 0 | 0 | 110.4 | E1677 S1683 L1684 | E1677-N1681 PolarHBondContact O-N 3.48Å; N1681-S1683 PolarHBondContact O-N 3.15Å; N1681-S1683 WeakPolarHBondContact OD1-CB 3.49Å; N1681-S1683 PolarHBondContact OD1-N 3.19Å; N1681-S1683 VanDerWaalsContact OD1-N 3.14Å; N1681-S1683 PolarHBondContact OD1-OG 2.93Å; N1681-L1684 HydrophobicContact CB-CD1 4Å; N1681-L1684 HydrophobicContact CB-CG 3.95Å; N1681-L1684 WeakPolarHBondContact O-CB 3.46Å; N1681-L1684 WeakPolarHBondContact O-CG 3.49Å; N1681-L1684 PolarHBondContact O-N 2.97Å | ||
| 1682 | E | 76 | Confident | 87.6 | Confident | 124 Ų | 124 | 40.4 Ų | 40.4 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.8 | 179.7 | -55.4 | -168.4 | 160.8 | 0 | 0 | 113.3 | S1639 S1642 L1684 | S1639-E1682 VanDerWaalsContact CB-OE1 3.29Å; S1639-E1682 WeakPolarHBondContact CB-OE1 3.23Å; S1642-E1682 WeakPolarHBondContact CB-O 3.39Å; S1642-E1682 PolarHBondContact OG-O 3.06Å; E1682-L1684 VanDerWaalsContact C-N 3.32Å; E1682-L1684 PolarHBondContact O-N 2.85Å |
| 1683 | S | 79.4 | Confident | 87.6 | Confident | 76 Ų | 76 | 40.4 Ų | 40.4 | 53% | 0.531 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.1 | 177.5 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | S1642 N1681 P1685 | S1642-S1683 PolarHBondContact OG-O 3.3Å; N1681-S1683 PolarHBondContact O-N 3.15Å; N1681-S1683 WeakPolarHBondContact OD1-CB 3.49Å; N1681-S1683 PolarHBondContact OD1-N 3.19Å; N1681-S1683 VanDerWaalsContact OD1-N 3.14Å; N1681-S1683 PolarHBondContact OD1-OG 2.93Å; S1683-P1685 WeakPolarHBondContact O-CD 3.49Å |
| 1684 | L | 84.2 | Confident | 87.6 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | trans | -66.4 | 122.3 | -178.4 | -71.5 | 175.7 | 0 | 0 | 0 | 112.3 | Y1549 S1642 E1677 K1678 N1681 E1682 | Y1549-L1684 HydrophobicContact CE2-CD2 3.92Å; S1642-L1684 WeakPolarHBondContact CB-O 3.29Å; S1642-L1684 PolarHBondContact OG-O 3.36Å; E1677-L1684 HydrophobicContact CB-CD1 3.72Å; E1677-L1684 WeakPolarHBondContact O-CD1 3.33Å; K1678-L1684 HydrophobicContact CD-CB 4.15Å; K1678-L1684 PolarHBondContact NZ-O 3.01Å; N1681-L1684 HydrophobicContact CB-CD1 4Å; N1681-L1684 HydrophobicContact CB-CG 3.95Å; N1681-L1684 WeakPolarHBondContact O-CB 3.46Å; N1681-L1684 WeakPolarHBondContact O-CG 3.49Å; N1681-L1684 PolarHBondContact O-N 2.97Å; E1682-L1684 VanDerWaalsContact C-N 3.32Å; E1682-L1684 PolarHBondContact O-N 2.85Å | ||
| 1685 | P | 84.6 | Confident | 87.5 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | trans | -92.8 | 132.3 | -173.7 | 35.5 | -34 | 0 | 0 | 0 | 112.8 | R1644 H1673 S1683 | R1644-P1685 HydrophobicContact CB-CB 3.83Å; R1644-P1685 HydrophobicContact CG-CB 3.49Å; R1644-P1685 VanDerWaalsContact CG-CB 3.49Å; R1644-P1685 HydrophobicContact CG-CG 4.26Å; H1673-P1685 PolarHBondContact CD2-O 3.44Å; H1673-P1685 PolarHBondContact NE2-O 3.36Å; S1683-P1685 WeakPolarHBondContact O-CD 3.49Å | ||
| 1686 | G | 89.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | 135.2 | 153.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1642 A1671 | S1642-G1686 PolarHBondContact O-N 3.43Å; A1671-G1686 CarbonylContact O-C 3.51Å; A1671-G1686 VanDerWaalsContact O-C 3.31Å; A1671-G1686 WeakPolarHBondContact O-CA 3.26Å | ||
| 1687 | F | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -124.7 | 144.8 | 175.8 | -63.6 | -28.2 | 0 | 0 | 0 | 111.9 | H1627 L1631 F1636 L1640 S1641 V1643 L1647 A1671 W1754 P1756 | H1627-F1687 HydrophobicContact CB-CD2 3.77Å; H1627-F1687 HydrophobicContact CB-CE2 4.18Å; H1627-F1687 AromaticContact CG-CD2 3.74Å; L1631-F1687 HydrophobicContact CD1-CE2 4.47Å; F1636-F1687 AromaticContact CD1-CZ 3.94Å; F1636-F1687 HydrophobicContact CD1-CZ 3.94Å; F1636-F1687 AromaticContact CE1-CE1 4Å; F1636-F1687 HydrophobicContact CE1-CE1 4Å; F1636-F1687 AromaticContact CE1-CZ 3.85Å; F1636-F1687 HydrophobicContact CE1-CZ 3.85Å; L1640-F1687 VanDerWaalsContact O-CE1 3.25Å; L1640-F1687 WeakPolarHBondContact O-CE1 3.44Å; S1641-F1687 WeakPolarHBondContact O-CZ 3.26Å; V1643-F1687 HydrophobicContact CB-CD2 4.36Å; V1643-F1687 HydrophobicContact CB-CE1 4.18Å; V1643-F1687 HydrophobicContact CB-CE2 4.02Å; V1643-F1687 HydrophobicContact CB-CZ 3.92Å; V1643-F1687 HydrophobicContact CG1-CD2 4.49Å; V1643-F1687 HydrophobicContact CG1-CE2 3.77Å; V1643-F1687 HydrophobicContact CG1-CZ 3.78Å; V1643-F1687 HydrophobicContact CG2-CD2 4.41Å; V1643-F1687 HydrophobicContact CG2-CE2 4.48Å; L1647-F1687 HydrophobicContact CD1-CE2 4.27Å; L1647-F1687 HydrophobicContact CD1-CZ 4.38Å; L1647-F1687 HydrophobicContact CD2-CE2 4.26Å; L1647-F1687 HydrophobicContact CG-CE2 4.4Å; A1671-F1687 PolarHBondContact N-O 3.08Å; A1671-F1687 PolarHBondContact O-N 3.47Å; F1687-W1754 AromaticContact CD1-CH2 3.66Å; F1687-W1754 HydrophobicContact CD1-CH2 3.66Å; F1687-W1754 HydrophobicContact CD1-CZ2 4.4Å; F1687-W1754 HydrophobicContact CD1-CZ3 4.44Å; F1687-W1754 HydrophobicContact CE1-CH2 4.09Å; F1687-P1756 HydrophobicContact CB-CG 4.06Å; F1687-P1756 HydrophobicContact CD2-CB 4.49Å; F1687-P1756 HydrophobicContact CD2-CG 3.97Å; F1687-P1756 HydrophobicContact CG-CG 3.94Å |
| 1688 | P | 93.1 | Very high | 88 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | trans | -80.1 | 118.3 | 162.2 | 31.5 | -32.5 | 0 | 0 | 0 | 110.6 | H1670 P1672 W1754 T1755 | H1670-P1688 WeakPolarHBondContact ND1-CA 3.45Å; P1672-P1688 HydrophobicContact CB-CB 4.46Å; P1688-W1754 HydrophobicContact CG-CD2 4.32Å; P1688-W1754 HydrophobicContact CG-CG 4.47Å; P1688-W1754 WeakPolarHBondContact CG-O 3.33Å; P1688-T1755 PolarHBondContact O-OG1 3.23Å | ||
| 1689 | G | 89.9 | Confident | 88 | Confident | 4 Ų | 4 | 29 Ų | 29 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | trans | -143 | 12.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | H1670 V1692 M1693 | H1670-G1689 PolarHBondContact ND1-N 3.27Å; G1689-V1692 WeakPolarHBondContact O-CG2 3.4Å; G1689-M1693 PolarHBondContact O-N 3.45Å | ||
| 1690 | L | 91.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -46.2 | -170.3 | -171.8 | 58.8 | 0 | 0 | 0 | 111.6 | D1458 V1461 G1477 A1481 G1484 I1486 H1670 V1692 M1693 | D1458-L1690 HydrophobicContact CB-CD1 4.18Å; D1458-L1690 VanDerWaalsContact OD2-CD1 3.22Å; D1458-L1690 WeakPolarHBondContact OD2-CD1 3.4Å; V1461-L1690 HydrophobicContact CG1-CD2 4.08Å; V1461-L1690 HydrophobicContact CG2-CD1 4.1Å; V1461-L1690 HydrophobicContact CG2-CD2 4.47Å; G1477-L1690 WeakPolarHBondContact O-CD2 3.45Å; A1481-L1690 HydrophobicContact CB-CD1 4.49Å; A1481-L1690 HydrophobicContact CB-CD2 3.71Å; A1481-L1690 HydrophobicContact CB-CG 4.15Å; G1484-L1690 WeakPolarHBondContact CA-O 3.45Å; I1486-L1690 HydrophobicContact CG1-CD1 4.23Å; H1670-L1690 HydrophobicContact CB-CB 3.89Å; H1670-L1690 WeakPolarHBondContact ND1-CB 3.49Å; H1670-L1690 PolarHBondContact ND1-N 3.47Å; L1690-V1692 PolarHBondContact O-N 2.94Å; L1690-M1693 PolarHBondContact O-N 3.42Å |
| 1691 | E | 89.4 | Confident | 88.2 | Confident | 16 Ų | 16 | 19.9 Ų | 19.9 | 8% | 0.075 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.8 | -179.5 | -165.9 | 170.9 | 138 | 0 | 0 | 113.9 | A1480 A1483 G1484 T1747 Q1748 F1749 | A1480-E1691 HydrophobicContact CB-CB 4.38Å; A1480-E1691 WeakPolarHBondContact O-CA 3.4Å; A1483-E1691 HydrophobicContact CB-CG 3.77Å; G1484-E1691 VanDerWaalsContact CA-O 3.28Å; G1484-E1691 WeakPolarHBondContact CA-O 3.32Å; E1691-T1747 WeakPolarHBondContact OE2-CB 3.41Å; E1691-Q1748 WeakPolarHBondContact OE1-CB 3.38Å; E1691-Q1748 PolarHBondContact OE1-N 3.38Å; E1691-Q1748 PolarHBondContact OE2-N 2.96Å; E1691-F1749 PolarHBondContact OE2-N 3.3Å |
| 1692 | V | 89.5 | Confident | 88.2 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -2.7 | -174 | -63.9 | 0 | 0 | 0 | 0 | 113.7 | G1689 L1690 L1696 W1741 V1743 T1747 F1757 L1762 | G1689-V1692 WeakPolarHBondContact O-CG2 3.4Å; L1690-V1692 PolarHBondContact O-N 2.94Å; V1692-L1696 HydrophobicContact CB-CD1 4.37Å; V1692-L1696 HydrophobicContact CG2-CD1 4.15Å; V1692-L1696 WeakPolarHBondContact O-CB 3.49Å; V1692-L1696 WeakPolarHBondContact O-CD1 3.26Å; V1692-L1696 VanDerWaalsContact O-CG 3.29Å; V1692-L1696 WeakPolarHBondContact O-CG 3.46Å; V1692-L1696 PolarHBondContact O-N 3.26Å; V1692-L1696 VanDerWaalsContact O-N 3.1Å; V1692-W1741 HydrophobicContact CG1-CH2 4.36Å; V1692-W1741 HydrophobicContact CG1-CZ2 4.49Å; V1692-V1743 HydrophobicContact CG1-CG1 4.11Å; V1692-V1743 HydrophobicContact CG1-CG2 4.3Å; V1692-T1747 HydrophobicContact CG1-CG2 4.32Å; V1692-F1757 HydrophobicContact CG2-CD2 3.6Å; V1692-F1757 HydrophobicContact CG2-CE2 4.1Å; V1692-F1757 HydrophobicContact CG2-CG 4.39Å; V1692-L1762 HydrophobicContact CB-CD1 4.41Å |
| 1693 | M | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.2 | -55.6 | -173.6 | 177.7 | 164.9 | 72.7 | 0 | 0 | 112.8 | D1458 I1486 P1626 G1689 L1690 L1696 L1697 L1715 | D1458-M1693 HydrophobicContact CB-CE 4.05Å; D1458-M1693 WeakPolarHBondContact OD2-CE 3.22Å; I1486-M1693 HydrophobicContact CD1-CE 3.4Å; I1486-M1693 HydrophobicContact CG1-CE 3.82Å; P1626-M1693 HydrophobicContact CG-CB 4.16Å; P1626-M1693 HydrophobicContact CG-CG 3.59Å; P1626-M1693 HydrophobicContact CG-SD 3.88Å; G1689-M1693 PolarHBondContact O-N 3.45Å; L1690-M1693 PolarHBondContact O-N 3.42Å; M1693-L1696 PolarHBondContact O-N 3.03Å; M1693-L1697 HydrophobicContact CG-CD1 4.1Å; M1693-L1697 WeakPolarHBondContact O-CG 3.33Å; M1693-L1697 PolarHBondContact O-N 2.84Å; M1693-L1715 HydrophobicContact CE-CD2 3.73Å; M1693-L1715 HydrophobicContact SD-CD2 4.36Å |
| 1694 | L | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 179.7 | -178.6 | 64.4 | 0 | 0 | 0 | 112.2 | L1453 L1456 G1484 L1696 L1697 M1698 V1711 V1733 V1735 V1765 | L1453-L1694 HydrophobicContact CD1-CD1 4.37Å; L1456-L1694 HydrophobicContact CD1-CD1 3.68Å; L1456-L1694 HydrophobicContact CD1-CD2 3.8Å; L1456-L1694 HydrophobicContact CD1-CG 4.28Å; G1484-L1694 WeakPolarHBondContact O-CB 3.43Å; G1484-L1694 PolarHBondContact O-N 2.85Å; L1694-L1696 VanDerWaalsContact C-N 3.3Å; L1694-L1696 PolarHBondContact O-N 2.73Å; L1694-L1697 PolarHBondContact O-N 2.69Å; L1694-M1698 HydrophobicContact CD1-CE 3.78Å; L1694-M1698 HydrophobicContact CD1-CG 4.04Å; L1694-M1698 HydrophobicContact CD1-SD 4.34Å; L1694-M1698 HydrophobicContact CG-CG 4.08Å; L1694-M1698 WeakPolarHBondContact O-CG 3.48Å; L1694-M1698 PolarHBondContact O-N 3.13Å; L1694-V1711 HydrophobicContact CD1-CG1 4Å; L1694-V1733 HydrophobicContact CD2-CG1 4.05Å; L1694-V1735 HydrophobicContact CD2-CG2 3.92Å; L1694-V1765 HydrophobicContact CB-CG2 4.39Å; L1694-V1765 HydrophobicContact CD2-CG1 4.23Å; L1694-V1765 HydrophobicContact CD2-CG2 3.77Å; L1694-V1765 HydrophobicContact CG-CG2 4.04Å |
| 1695 | P | 88.3 | Confident | 89 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -50.4 | -44.8 | 173.3 | -32.2 | 37.1 | 0 | 0 | 0 | 114.4 | L1697 M1698 N1699 L1762 K1763 V1765 | P1695-L1697 VanDerWaalsContact C-N 3.34Å; P1695-L1697 PolarHBondContact O-N 3.23Å; P1695-M1698 PolarHBondContact O-N 3.33Å; P1695-N1699 PolarHBondContact O-N 3.27Å; P1695-N1699 PolarHBondContact O-OD1 2.88Å; P1695-L1762 HydrophobicContact CB-CB 3.92Å; P1695-L1762 HydrophobicContact CB-CD1 3.86Å; P1695-L1762 HydrophobicContact CB-CG 4.49Å; P1695-K1763 WeakPolarHBondContact CB-O 3.23Å; P1695-V1765 HydrophobicContact CG-CG2 3.96Å |
| 1696 | L | 89.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 176.6 | -78.7 | 165.2 | 0 | 0 | 0 | 112.5 | P1626 F1630 V1692 M1693 L1694 A1700 F1757 L1762 | P1626-L1696 HydrophobicContact CB-CD1 4.24Å; F1630-L1696 HydrophobicContact CD2-CB 4.43Å; F1630-L1696 HydrophobicContact CE2-CB 4.09Å; F1630-L1696 HydrophobicContact CZ-CB 4.39Å; F1630-L1696 WeakPolarHBondContact CZ-O 3.46Å; V1692-L1696 HydrophobicContact CB-CD1 4.37Å; V1692-L1696 HydrophobicContact CG2-CD1 4.15Å; V1692-L1696 WeakPolarHBondContact O-CB 3.49Å; V1692-L1696 WeakPolarHBondContact O-CD1 3.26Å; V1692-L1696 VanDerWaalsContact O-CG 3.29Å; V1692-L1696 WeakPolarHBondContact O-CG 3.46Å; V1692-L1696 PolarHBondContact O-N 3.26Å; V1692-L1696 VanDerWaalsContact O-N 3.1Å; M1693-L1696 PolarHBondContact O-N 3.03Å; L1694-L1696 VanDerWaalsContact C-N 3.3Å; L1694-L1696 PolarHBondContact O-N 2.73Å; L1696-A1700 PolarHBondContact O-N 3.28Å; L1696-F1757 HydrophobicContact CD1-CD1 3.87Å; L1696-F1757 HydrophobicContact CD1-CD2 3.98Å; L1696-F1757 HydrophobicContact CD1-CE1 3.75Å; L1696-F1757 HydrophobicContact CD1-CE2 3.84Å; L1696-F1757 HydrophobicContact CD1-CG 3.96Å; L1696-F1757 HydrophobicContact CD1-CZ 3.71Å; L1696-F1757 HydrophobicContact CD2-CD1 4.22Å; L1696-F1757 HydrophobicContact CD2-CE1 4.48Å; L1696-L1762 HydrophobicContact CD2-CD1 4.18Å; L1696-L1762 HydrophobicContact CD2-CD2 3.6Å; L1696-L1762 HydrophobicContact CG-CD1 3.99Å; L1696-L1762 HydrophobicContact CG-CD2 4.16Å |
| 1697 | L | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.8 | -36.1 | 178.5 | -64.8 | 171.1 | 0 | 0 | 0 | 111.9 | F1630 F1666 M1693 L1694 P1695 A1700 V1701 L1706 V1711 L1715 | F1630-L1697 HydrophobicContact CE2-CD2 4.3Å; F1666-L1697 HydrophobicContact CB-CD1 4.5Å; F1666-L1697 HydrophobicContact CD2-CD1 3.69Å; F1666-L1697 HydrophobicContact CD2-CD2 4.04Å; F1666-L1697 HydrophobicContact CE2-CD1 4.19Å; F1666-L1697 HydrophobicContact CE2-CD2 3.85Å; F1666-L1697 HydrophobicContact CG-CD1 4.24Å; F1666-L1697 HydrophobicContact CG-CD2 4.48Å; F1666-L1697 HydrophobicContact CZ-CD2 4.13Å; M1693-L1697 HydrophobicContact CG-CD1 4.1Å; M1693-L1697 WeakPolarHBondContact O-CG 3.33Å; M1693-L1697 PolarHBondContact O-N 2.84Å; L1694-L1697 PolarHBondContact O-N 2.69Å; P1695-L1697 VanDerWaalsContact C-N 3.34Å; P1695-L1697 PolarHBondContact O-N 3.23Å; L1697-A1700 WeakPolarHBondContact O-CB 3Å; L1697-A1700 PolarHBondContact O-N 2.83Å; L1697-A1700 VanDerWaalsContact O-N 3.13Å; L1697-V1701 PolarHBondContact O-N 3.36Å; L1697-L1706 HydrophobicContact CB-CD1 4.45Å; L1697-L1706 HydrophobicContact CD2-CD1 3.8Å; L1697-V1711 HydrophobicContact CB-CG2 4.28Å; L1697-L1715 HydrophobicContact CD1-CD1 3.69Å |
| 1698 | M | 89.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -37.6 | 175.4 | -67.5 | -63.7 | 97.5 | 0 | 0 | 112 | L1694 P1695 A1700 V1701 V1702 L1708 V1711 V1735 L1737 K1763 | L1694-M1698 HydrophobicContact CD1-CE 3.78Å; L1694-M1698 HydrophobicContact CD1-CG 4.04Å; L1694-M1698 HydrophobicContact CD1-SD 4.34Å; L1694-M1698 HydrophobicContact CG-CG 4.08Å; L1694-M1698 WeakPolarHBondContact O-CG 3.48Å; L1694-M1698 PolarHBondContact O-N 3.13Å; P1695-M1698 PolarHBondContact O-N 3.33Å; M1698-A1700 VanDerWaalsContact C-N 3.29Å; M1698-A1700 PolarHBondContact O-N 2.84Å; M1698-V1701 HydrophobicContact CE-CG2 3.92Å; M1698-V1701 WeakPolarHBondContact O-CA 3.19Å; M1698-V1701 WeakPolarHBondContact O-CB 3.3Å; M1698-V1701 PolarHBondContact O-N 3.27Å; M1698-V1702 PolarHBondContact O-N 3.41Å; M1698-L1708 HydrophobicContact CE-CD2 4.23Å; M1698-L1708 HydrophobicContact SD-CD2 4.15Å; M1698-V1711 HydrophobicContact CE-CB 4.07Å; M1698-V1711 HydrophobicContact CE-CG1 3.83Å; M1698-V1711 HydrophobicContact CE-CG2 3.65Å; M1698-V1735 HydrophobicContact CG-CG1 3.87Å; M1698-V1735 HydrophobicContact SD-CG1 4.04Å; M1698-V1735 HydrophobicContact SD-CG2 4.47Å; M1698-L1737 HydrophobicContact CB-CD2 4.44Å; M1698-L1737 HydrophobicContact SD-CD2 4.23Å; M1698-K1763 HydrophobicContact CB-CB 4.26Å |
| 1699 | N | 87.4 | Confident | 89.1 | Confident | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -45.4 | 168.7 | -86.9 | 35.7 | 0 | 0 | 0 | 111.5 | P1695 V1701 V1702 D1703 K1761 L1762 K1763 | P1695-N1699 PolarHBondContact O-N 3.27Å; P1695-N1699 PolarHBondContact O-OD1 2.88Å; N1699-V1701 PolarHBondContact O-N 3.13Å; N1699-V1702 PolarHBondContact O-N 2.81Å; N1699-D1703 WeakPolarHBondContact O-CB 3.4Å; N1699-D1703 PolarHBondContact O-N 3.45Å; N1699-K1761 PolarHBondContact ND2-O 2.78Å; N1699-L1762 WeakPolarHBondContact OD1-CA 3.22Å; N1699-K1763 WeakPolarHBondContact OD1-CG 3.13Å; N1699-K1763 PolarHBondContact OD1-N 3.17Å |
| 1700 | A | 89.6 | Confident | 89.4 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -27.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1630 W1657 L1696 L1697 M1698 G1704 R1705 L1706 | F1630-A1700 HydrophobicContact CZ-CB 4.18Å; W1657-A1700 HydrophobicContact CH2-CB 4.14Å; L1696-A1700 PolarHBondContact O-N 3.28Å; L1697-A1700 WeakPolarHBondContact O-CB 3Å; L1697-A1700 PolarHBondContact O-N 2.83Å; L1697-A1700 VanDerWaalsContact O-N 3.13Å; M1698-A1700 VanDerWaalsContact C-N 3.29Å; M1698-A1700 PolarHBondContact O-N 2.84Å; A1700-G1704 PolarHBondContact O-N 3.47Å; A1700-R1705 HydrophobicContact CB-CB 4.18Å; A1700-R1705 WeakPolarHBondContact O-CA 3.32Å; A1700-R1705 WeakPolarHBondContact O-CB 3.4Å; A1700-R1705 PolarHBondContact O-N 2.9Å; A1700-L1706 HydrophobicContact CB-CB 4.4Å; A1700-L1706 HydrophobicContact CB-CD1 3.92Å; A1700-L1706 HydrophobicContact CB-CG 4.03Å; A1700-L1706 PolarHBondContact O-N 3.39Å |
| 1701 | V | 87.9 | Confident | 89.5 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.7 | -47 | 171.8 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | L1697 M1698 N1699 D1703 G1704 L1706 L1708 V1711 | L1697-V1701 PolarHBondContact O-N 3.36Å; M1698-V1701 HydrophobicContact CE-CG2 3.92Å; M1698-V1701 WeakPolarHBondContact O-CA 3.19Å; M1698-V1701 WeakPolarHBondContact O-CB 3.3Å; M1698-V1701 PolarHBondContact O-N 3.27Å; N1699-V1701 PolarHBondContact O-N 3.13Å; V1701-D1703 VanDerWaalsContact C-N 3.32Å; V1701-D1703 PolarHBondContact O-N 3.04Å; V1701-G1704 PolarHBondContact O-N 2.88Å; V1701-L1706 VanDerWaalsContact CA-O 3.31Å; V1701-L1706 WeakPolarHBondContact CA-O 3.31Å; V1701-L1706 HydrophobicContact CG2-CB 3.83Å; V1701-L1708 HydrophobicContact CG1-CD2 4.28Å; V1701-L1708 HydrophobicContact CG1-CG 4.2Å; V1701-V1711 HydrophobicContact CG2-CG2 3.94Å |
| 1702 | V | 80.4 | Confident | 89.8 | Confident | 78 Ų | 78 | 35.6 Ų | 35.6 | 47% | 0.473 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.7 | 175 | 0 | 0 | 0 | 0 | 111.5 | M1698 N1699 G1704 L1737 K1763 | M1698-V1702 PolarHBondContact O-N 3.41Å; N1699-V1702 PolarHBondContact O-N 2.81Å; V1702-G1704 PolarHBondContact O-N 2.67Å; V1702-L1737 HydrophobicContact CG2-CD2 4.4Å; V1702-K1763 HydrophobicContact CG2-CG 4.29Å |
| 1703 | D | 83 | Confident | 90.1 | Very high | 115 Ų | 115 | 38.4 Ų | 38.4 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2.8 | 175.1 | -64.7 | -19.1 | 0 | 0 | 0 | 113.1 | N1699 V1701 R1705 | N1699-D1703 WeakPolarHBondContact O-CB 3.4Å; N1699-D1703 PolarHBondContact O-N 3.45Å; V1701-D1703 VanDerWaalsContact C-N 3.32Å; V1701-D1703 PolarHBondContact O-N 3.04Å; D1703-R1705 VanDerWaalsContact C-N 3.3Å; D1703-R1705 HydrophobicContact CB-CG 4.31Å; D1703-R1705 PolarHBondContact O-N 3.02Å |
| 1704 | G | 84.9 | Confident | 90.4 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 67% | 0.67 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 12.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1700 V1701 V1702 | A1700-G1704 PolarHBondContact O-N 3.47Å; V1701-G1704 PolarHBondContact O-N 2.88Å; V1702-G1704 PolarHBondContact O-N 2.67Å |
| 1705 | R | 89.3 | Confident | 90.6 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -82.5 | -24.7 | 177.4 | -60.7 | -179 | 69.2 | -156.6 | 1.6 | 113.2 | W1657 A1700 D1703 | W1657-R1705 VanDerWaalsContact CD1-NH2 3.32Å; W1657-R1705 HydrophobicContact CZ3-CB 4.26Å; W1657-R1705 VanDerWaalsContact NE1-NH2 3.14Å; A1700-R1705 HydrophobicContact CB-CB 4.18Å; A1700-R1705 WeakPolarHBondContact O-CA 3.32Å; A1700-R1705 WeakPolarHBondContact O-CB 3.4Å; A1700-R1705 PolarHBondContact O-N 2.9Å; D1703-R1705 VanDerWaalsContact C-N 3.3Å; D1703-R1705 HydrophobicContact CB-CG 4.31Å; D1703-R1705 PolarHBondContact O-N 3.02Å |
| 1706 | L | 93.1 | Very high | 91 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -130 | 158.5 | 173.9 | -68.8 | 178.7 | 0 | 0 | 0 | 110 | W1657 L1660 F1666 L1697 A1700 V1701 D1710 V1711 | W1657-L1706 HydrophobicContact CH2-CD1 4.41Å; W1657-L1706 HydrophobicContact CH2-CG 4.39Å; W1657-L1706 HydrophobicContact CZ3-CD1 4.49Å; W1657-L1706 HydrophobicContact CZ3-CD2 4.02Å; W1657-L1706 HydrophobicContact CZ3-CG 4.04Å; L1660-L1706 HydrophobicContact CD1-CD2 3.74Å; L1660-L1706 HydrophobicContact CD2-CD2 4.31Å; F1666-L1706 HydrophobicContact CE2-CD1 4.34Å; F1666-L1706 HydrophobicContact CZ-CD1 4.31Å; L1697-L1706 HydrophobicContact CB-CD1 4.45Å; L1697-L1706 HydrophobicContact CD2-CD1 3.8Å; A1700-L1706 HydrophobicContact CB-CB 4.4Å; A1700-L1706 HydrophobicContact CB-CD1 3.92Å; A1700-L1706 HydrophobicContact CB-CG 4.03Å; A1700-L1706 PolarHBondContact O-N 3.39Å; V1701-L1706 VanDerWaalsContact CA-O 3.31Å; V1701-L1706 WeakPolarHBondContact CA-O 3.31Å; V1701-L1706 HydrophobicContact CG2-CB 3.83Å; L1706-D1710 HydrophobicContact CB-CB 4.39Å; L1706-D1710 HydrophobicContact CD2-CB 4Å; L1706-V1711 HydrophobicContact CD1-CG2 4.25Å |
| 1707 | T | 91.4 | Very high | 91.2 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | trans | -101.2 | 162.4 | 163.3 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | N1709 D1710 V1711 | T1707-N1709 PolarHBondContact O-N 3.11Å; T1707-D1710 WeakPolarHBondContact CB-OD2 3.46Å; T1707-D1710 PolarHBondContact N-OD2 2.94Å; T1707-D1710 WeakPolarHBondContact O-CB 3.36Å; T1707-D1710 PolarHBondContact O-N 2.64Å; T1707-D1710 VanDerWaalsContact OG1-CG 3.29Å; T1707-D1710 PolarHBondContact OG1-N 3.38Å; T1707-D1710 VanDerWaalsContact OG1-N 3.11Å; T1707-D1710 PolarHBondContact OG1-OD2 2.83Å; T1707-V1711 PolarHBondContact O-N 2.91Å | ||
| 1708 | L | 86.6 | Confident | 91.4 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.288 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.4 | -37.9 | 171 | -72.7 | 171 | 0 | 0 | 0 | 111.5 | V1451 L1453 M1698 V1701 D1710 V1711 L1712 | V1451-L1708 HydrophobicContact CG1-CD1 3.84Å; V1451-L1708 HydrophobicContact CG1-CD2 4.25Å; V1451-L1708 HydrophobicContact CG2-CD1 4.28Å; L1453-L1708 HydrophobicContact CD2-CD2 4.29Å; M1698-L1708 HydrophobicContact CE-CD2 4.23Å; M1698-L1708 HydrophobicContact SD-CD2 4.15Å; V1701-L1708 HydrophobicContact CG1-CD2 4.28Å; V1701-L1708 HydrophobicContact CG1-CG 4.2Å; L1708-D1710 VanDerWaalsContact C-N 3.3Å; L1708-D1710 PolarHBondContact O-N 3.01Å; L1708-V1711 PolarHBondContact O-N 3.39Å; L1708-L1712 WeakPolarHBondContact O-CG 3.43Å; L1708-L1712 PolarHBondContact O-N 3.01Å |
| 1709 | N | 92.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 44.3 Ų | 44.3 | 57% | 0.572 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.9 | -33.2 | 175.5 | -78.8 | -23.2 | 0 | 0 | 0 | 112.7 | T1707 V1711 L1712 N1713 | T1707-N1709 PolarHBondContact O-N 3.11Å; N1709-V1711 VanDerWaalsContact C-N 3.3Å; N1709-V1711 PolarHBondContact O-N 2.9Å; N1709-L1712 PolarHBondContact O-N 2.76Å; N1709-N1713 VanDerWaalsContact O-CB 3.26Å; N1709-N1713 WeakPolarHBondContact O-CB 3.35Å; N1709-N1713 PolarHBondContact O-N 2.84Å; N1709-N1713 PolarHBondContact O-ND2 2.82Å |
| 1710 | D | 95.7 | Very high | 92.1 | Very high | 44 Ų | 44 | 45 Ų | 45 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 175.2 | -72.1 | -56 | 0 | 0 | 0 | 112.2 | L1706 T1707 L1708 R1714 | L1706-D1710 HydrophobicContact CB-CB 4.39Å; L1706-D1710 HydrophobicContact CD2-CB 4Å; T1707-D1710 WeakPolarHBondContact CB-OD2 3.46Å; T1707-D1710 PolarHBondContact N-OD2 2.94Å; T1707-D1710 WeakPolarHBondContact O-CB 3.36Å; T1707-D1710 PolarHBondContact O-N 2.64Å; T1707-D1710 VanDerWaalsContact OG1-CG 3.29Å; T1707-D1710 PolarHBondContact OG1-N 3.38Å; T1707-D1710 VanDerWaalsContact OG1-N 3.11Å; T1707-D1710 PolarHBondContact OG1-OD2 2.83Å; L1708-D1710 VanDerWaalsContact C-N 3.3Å; L1708-D1710 PolarHBondContact O-N 3.01Å; D1710-R1714 WeakPolarHBondContact O-CB 3.45Å; D1710-R1714 WeakPolarHBondContact O-CG 3.35Å; D1710-R1714 PolarHBondContact O-N 3.14Å; D1710-R1714 PolarHBondContact O-NH1 2.86Å; D1710-R1714 VanDerWaalsContact O-NH1 3.16Å; D1710-R1714 IonicContact OD1-CZ 3.16Å; D1710-R1714 IonicContact OD1-NH1 2.72Å; D1710-R1714 PolarHBondContact OD1-NH1 2.95Å; D1710-R1714 IonicContact OD1-NH2 2.62Å |
| 1711 | V | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.2 | -49.4 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | L1694 L1697 M1698 V1701 L1706 T1707 L1708 N1709 N1713 R1714 L1715 | L1694-V1711 HydrophobicContact CD1-CG1 4Å; L1697-V1711 HydrophobicContact CB-CG2 4.28Å; M1698-V1711 HydrophobicContact CE-CB 4.07Å; M1698-V1711 HydrophobicContact CE-CG1 3.83Å; M1698-V1711 HydrophobicContact CE-CG2 3.65Å; V1701-V1711 HydrophobicContact CG2-CG2 3.94Å; L1706-V1711 HydrophobicContact CD1-CG2 4.25Å; T1707-V1711 PolarHBondContact O-N 2.91Å; L1708-V1711 PolarHBondContact O-N 3.39Å; N1709-V1711 VanDerWaalsContact C-N 3.3Å; N1709-V1711 PolarHBondContact O-N 2.9Å; V1711-N1713 VanDerWaalsContact C-N 3.33Å; V1711-N1713 PolarHBondContact O-N 2.91Å; V1711-R1714 PolarHBondContact O-N 2.73Å; V1711-L1715 HydrophobicContact CG1-CD1 3.94Å; V1711-L1715 WeakPolarHBondContact O-CB 3.24Å; V1711-L1715 PolarHBondContact O-N 2.92Å |
| 1712 | L | 94.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -41.9 | 177.9 | -68.9 | 179.4 | 0 | 0 | 0 | 112.8 | L1453 P1454 L1456 L1708 N1709 R1714 H1716 N1717 | L1453-L1712 HydrophobicContact CB-CD2 4.27Å; L1453-L1712 HydrophobicContact CD2-CD2 3.92Å; L1453-L1712 HydrophobicContact CD2-CG 4.4Å; P1454-L1712 HydrophobicContact CG-CD2 3.7Å; L1456-L1712 HydrophobicContact CD2-CD2 4.4Å; L1708-L1712 WeakPolarHBondContact O-CG 3.43Å; L1708-L1712 PolarHBondContact O-N 3.01Å; N1709-L1712 PolarHBondContact O-N 2.76Å; L1712-R1714 VanDerWaalsContact C-N 3.31Å; L1712-R1714 PolarHBondContact O-N 2.88Å; L1712-H1716 CarbonylContact O-C 3.01Å; L1712-H1716 WeakPolarHBondContact O-CA 3.42Å; L1712-H1716 VanDerWaalsContact O-CB 3.29Å; L1712-H1716 WeakPolarHBondContact O-CB 3.45Å; L1712-H1716 PolarHBondContact O-N 3.34Å; L1712-N1717 PolarHBondContact O-N 2.98Å |
| 1713 | N | 97 | Very high | 93.3 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -63.6 | -40.2 | 179.3 | -75.4 | -26.9 | 0 | 0 | 0 | 111.5 | N1709 V1711 N1717 N1718 | N1709-N1713 VanDerWaalsContact O-CB 3.26Å; N1709-N1713 WeakPolarHBondContact O-CB 3.35Å; N1709-N1713 PolarHBondContact O-N 2.84Å; N1709-N1713 PolarHBondContact O-ND2 2.82Å; V1711-N1713 VanDerWaalsContact C-N 3.33Å; V1711-N1713 PolarHBondContact O-N 2.91Å; N1713-N1717 PolarHBondContact OD1-ND2 3.4Å; N1713-N1718 WeakPolarHBondContact O-CB 3.25Å; N1713-N1718 VanDerWaalsContact O-CG 3.26Å; N1713-N1718 PolarHBondContact O-N 2.95Å; N1713-N1718 PolarHBondContact O-ND2 3.24Å |
| 1714 | R | 98 | Very high | 93.6 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -93 | -17.2 | -172.6 | -66.9 | 174.3 | -177.4 | 81.5 | -2.4 | 114.9 | L1660 I1663 D1664 C1665 F1666 D1710 V1711 L1712 P1719 | L1660-R1714 PolarHBondContact O-NE 2.93Å; L1660-R1714 PolarHBondContact O-NH2 3.09Å; I1663-R1714 PolarHBondContact O-NE 2.83Å; D1664-R1714 WeakPolarHBondContact O-CA 3.12Å; D1664-R1714 WeakPolarHBondContact O-CG 3.34Å; C1665-R1714 VanDerWaalsContact CA-O 3.31Å; C1665-R1714 WeakPolarHBondContact CA-O 3.44Å; F1666-R1714 HydrophobicContact CD2-CB 3.53Å; F1666-R1714 HydrophobicContact CD2-CG 4.46Å; F1666-R1714 HydrophobicContact CE2-CB 3.77Å; F1666-R1714 HydrophobicContact CE2-CG 4.29Å; F1666-R1714 HydrophobicContact CG-CB 4Å; F1666-R1714 HydrophobicContact CZ-CB 4.41Å; F1666-R1714 VanDerWaalsContact CZ-CD 3.45Å; F1666-R1714 PolarHBondContact N-O 3.17Å; D1710-R1714 WeakPolarHBondContact O-CB 3.45Å; D1710-R1714 WeakPolarHBondContact O-CG 3.35Å; D1710-R1714 PolarHBondContact O-N 3.14Å; D1710-R1714 PolarHBondContact O-NH1 2.86Å; D1710-R1714 VanDerWaalsContact O-NH1 3.16Å; D1710-R1714 IonicContact OD1-CZ 3.16Å; D1710-R1714 IonicContact OD1-NH1 2.72Å; D1710-R1714 PolarHBondContact OD1-NH1 2.95Å; D1710-R1714 IonicContact OD1-NH2 2.62Å; V1711-R1714 PolarHBondContact O-N 2.73Å; L1712-R1714 VanDerWaalsContact C-N 3.31Å; L1712-R1714 PolarHBondContact O-N 2.88Å; R1714-P1719 WeakPolarHBondContact O-CG 3.43Å |
| 1715 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -114.8 | -5.9 | 175.9 | -71.9 | 179.5 | 0 | 0 | 0 | 114 | L1456 I1457 F1666 M1693 L1697 V1711 | L1456-L1715 CarbonylContact C-O 3.43Å; L1456-L1715 WeakPolarHBondContact CA-O 3.49Å; L1456-L1715 HydrophobicContact CB-CB 4.16Å; L1456-L1715 HydrophobicContact CD1-CB 4.45Å; L1456-L1715 HydrophobicContact CD1-CD1 4.03Å; L1456-L1715 HydrophobicContact CD2-CB 4.03Å; L1456-L1715 HydrophobicContact CG-CB 4.45Å; I1457-L1715 PolarHBondContact N-O 2.98Å; F1666-L1715 HydrophobicContact CB-CD2 3.74Å; F1666-L1715 HydrophobicContact CB-CG 4.15Å; F1666-L1715 HydrophobicContact CD2-CG 4.25Å; F1666-L1715 WeakPolarHBondContact O-CD2 3.44Å; M1693-L1715 HydrophobicContact CE-CD2 3.73Å; M1693-L1715 HydrophobicContact SD-CD2 4.36Å; L1697-L1715 HydrophobicContact CD1-CD1 3.69Å; V1711-L1715 HydrophobicContact CG1-CD1 3.94Å; V1711-L1715 WeakPolarHBondContact O-CB 3.24Å; V1711-L1715 PolarHBondContact O-N 2.92Å |
| 1716 | H | 95.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -133.9 | -66 | 177.7 | -173.1 | 76.8 | 0 | 0 | 0 | 112.7 | P1454 G1455 L1456 L1712 R1720 | P1454-H1716 HydrophobicContact CG-CB 4.19Å; G1455-H1716 PolarHBondContact O-CE1 2.76Å; G1455-H1716 PolarHBondContact O-ND1 2.79Å; L1456-H1716 HydrophobicContact CD2-CB 4.26Å; L1712-H1716 CarbonylContact O-C 3.01Å; L1712-H1716 WeakPolarHBondContact O-CA 3.42Å; L1712-H1716 VanDerWaalsContact O-CB 3.29Å; L1712-H1716 WeakPolarHBondContact O-CB 3.45Å; L1712-H1716 PolarHBondContact O-N 3.34Å; H1716-R1720 VanDerWaalsContact CE1-CD 3.47Å; H1716-R1720 WeakPolarHBondContact CE1-CD 3.5Å; H1716-R1720 WeakPolarHBondContact NE2-CD 3.34Å; H1716-R1720 PolarHBondContact NE2-NH1 2.91Å; H1716-R1720 VanDerWaalsContact NE2-NH1 3.19Å; H1716-R1720 WeakPolarHBondContact O-CB 3.32Å; H1716-R1720 VanDerWaalsContact O-CG 3.27Å; H1716-R1720 WeakPolarHBondContact O-CG 2.94Å; H1716-R1720 PolarHBondContact O-N 2.79Å; H1716-R1720 VanDerWaalsContact O-N 3.09Å |
| 1717 | N | 95.5 | Very high | 92.7 | Very high | 72 Ų | 72 | 48.2 Ų | 48.2 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -65.8 | -50.2 | -169 | -60.8 | -34.4 | 0 | 0 | 0 | 112.8 | L1712 N1713 R1721 | L1712-N1717 PolarHBondContact O-N 2.98Å; N1713-N1717 PolarHBondContact OD1-ND2 3.4Å; N1717-R1721 WeakPolarHBondContact O-CB 3.43Å; N1717-R1721 PolarHBondContact O-N 2.81Å; N1717-R1721 VanDerWaalsContact O-N 3.1Å |
| 1718 | N | 97.7 | Very high | 91.8 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.7 | -47.6 | -179.8 | -70.8 | -30.7 | 0 | 0 | 0 | 112.4 | D1664 N1713 R1720 R1721 I1722 | D1664-N1718 HydrophobicContact CB-CB 4.42Å; D1664-N1718 WeakPolarHBondContact O-CB 3.22Å; D1664-N1718 PolarHBondContact O-ND2 3.37Å; N1713-N1718 WeakPolarHBondContact O-CB 3.25Å; N1713-N1718 VanDerWaalsContact O-CG 3.26Å; N1713-N1718 PolarHBondContact O-N 2.95Å; N1713-N1718 PolarHBondContact O-ND2 3.24Å; N1718-R1720 VanDerWaalsContact C-N 3.3Å; N1718-R1720 PolarHBondContact O-N 2.82Å; N1718-R1721 PolarHBondContact O-N 3.46Å; N1718-R1721 PolarHBondContact OD1-NH2 3.33Å; N1718-I1722 HydrophobicContact CB-CD1 3.99Å; N1718-I1722 VanDerWaalsContact O-CB 3.31Å; N1718-I1722 WeakPolarHBondContact O-CB 3.21Å; N1718-I1722 WeakPolarHBondContact O-CD1 3.39Å; N1718-I1722 WeakPolarHBondContact O-CG1 3.38Å; N1718-I1722 PolarHBondContact O-N 3Å |
| 1719 | P | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -49.8 | -48.3 | 172.6 | -32.4 | 37.7 | 0 | 0 | 0 | 113.2 | I1457 V1459 R1714 R1721 I1722 F1723 | I1457-P1719 HydrophobicContact CB-CB 3.96Å; I1457-P1719 HydrophobicContact CD1-CB 4.28Å; I1457-P1719 HydrophobicContact CG2-CB 4.05Å; V1459-P1719 HydrophobicContact CG1-CB 3.73Å; V1459-P1719 HydrophobicContact CG1-CG 4.18Å; R1714-P1719 WeakPolarHBondContact O-CG 3.43Å; P1719-R1721 PolarHBondContact O-N 3.28Å; P1719-I1722 PolarHBondContact O-N 3Å; P1719-F1723 WeakPolarHBondContact O-CD2 3.23Å; P1719-F1723 PolarHBondContact O-N 3.46Å |
| 1720 | R | 94.3 | Very high | 89.5 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 177.7 | -73.4 | -179.6 | 62.6 | -157.4 | -6.4 | 112.5 | I1457 H1716 N1718 G1724 L1725 E1727 | I1457-R1720 HydrophobicContact CD1-CG 3.47Å; I1457-R1720 VanDerWaalsContact CD1-CG 3.47Å; H1716-R1720 VanDerWaalsContact CE1-CD 3.47Å; H1716-R1720 WeakPolarHBondContact CE1-CD 3.5Å; H1716-R1720 WeakPolarHBondContact NE2-CD 3.34Å; H1716-R1720 PolarHBondContact NE2-NH1 2.91Å; H1716-R1720 VanDerWaalsContact NE2-NH1 3.19Å; H1716-R1720 WeakPolarHBondContact O-CB 3.32Å; H1716-R1720 VanDerWaalsContact O-CG 3.27Å; H1716-R1720 WeakPolarHBondContact O-CG 2.94Å; H1716-R1720 PolarHBondContact O-N 2.79Å; H1716-R1720 VanDerWaalsContact O-N 3.09Å; N1718-R1720 VanDerWaalsContact C-N 3.3Å; N1718-R1720 PolarHBondContact O-N 2.82Å; R1720-G1724 WeakPolarHBondContact O-CA 3.48Å; R1720-G1724 PolarHBondContact O-N 2.86Å; R1720-L1725 HydrophobicContact CG-CB 4.37Å; R1720-L1725 PolarHBondContact O-N 3.17Å; R1720-E1727 IonicContact CZ-OE2 3.16Å; R1720-E1727 VanDerWaalsContact NH1-CD 3.33Å; R1720-E1727 IonicContact NH1-OE1 2.88Å; R1720-E1727 IonicContact NH1-OE2 3.74Å; R1720-E1727 PolarHBondContact NH1-OE2 2.72Å; R1720-E1727 IonicContact NH2-OE2 2.79Å; R1720-E1727 PolarHBondContact NH2-OE2 3.19Å |
| 1721 | R | 94.1 | Very high | 88.4 | Confident | 171 Ų | 171 | 46.2 Ų | 46.2 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.1 | -41.7 | -178.7 | -178.1 | 176.9 | 60.8 | 100.2 | 0.6 | 112.8 | N1717 N1718 P1719 | N1717-R1721 WeakPolarHBondContact O-CB 3.43Å; N1717-R1721 PolarHBondContact O-N 2.81Å; N1717-R1721 VanDerWaalsContact O-N 3.1Å; N1718-R1721 PolarHBondContact O-N 3.46Å; N1718-R1721 PolarHBondContact OD1-NH2 3.33Å; P1719-R1721 PolarHBondContact O-N 3.28Å |
| 1722 | I | 94.3 | Very high | 87.7 | Confident | 26 Ų | 26 | 48.9 Ų | 48.9 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.1 | -42.4 | -174.5 | -68.3 | 166.4 | 0 | 0 | 0 | 111.1 | T1621 D1664 N1718 P1719 | T1621-I1722 HydrophobicContact CG2-CD1 3.79Å; T1621-I1722 HydrophobicContact CG2-CG1 4.07Å; D1664-I1722 HydrophobicContact CB-CD1 3.8Å; N1718-I1722 HydrophobicContact CB-CD1 3.99Å; N1718-I1722 VanDerWaalsContact O-CB 3.31Å; N1718-I1722 WeakPolarHBondContact O-CB 3.21Å; N1718-I1722 WeakPolarHBondContact O-CD1 3.39Å; N1718-I1722 WeakPolarHBondContact O-CG1 3.38Å; N1718-I1722 PolarHBondContact O-N 3Å; P1719-I1722 PolarHBondContact O-N 3Å |
| 1723 | F | 94.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -99.2 | -3.3 | -174 | -63.1 | -80.5 | 0 | 0 | 0 | 113.7 | V1459 L1490 Y1520 P1572 V1574 H1597 P1719 L1725 | V1459-F1723 HydrophobicContact CB-CD2 4.44Å; V1459-F1723 HydrophobicContact CB-CE2 3.83Å; V1459-F1723 HydrophobicContact CB-CZ 4.17Å; V1459-F1723 HydrophobicContact CG1-CD2 3.78Å; V1459-F1723 HydrophobicContact CG1-CE2 3.55Å; V1459-F1723 HydrophobicContact CG1-CZ 4.36Å; V1459-F1723 HydrophobicContact CG2-CE2 4.28Å; L1490-F1723 HydrophobicContact CD1-CB 4.2Å; L1490-F1723 HydrophobicContact CD1-CD1 4.01Å; L1490-F1723 HydrophobicContact CD1-CD2 4.15Å; L1490-F1723 HydrophobicContact CD1-CE1 4.45Å; L1490-F1723 HydrophobicContact CD1-CG 3.85Å; Y1520-F1723 HydrophobicContact CE1-CD1 4.1Å; Y1520-F1723 AromaticContact CE1-CE1 3.91Å; Y1520-F1723 HydrophobicContact CE1-CE1 3.91Å; Y1520-F1723 AromaticContact CZ-CE1 3.95Å; Y1520-F1723 WeakPolarHBondContact OH-CE1 3.43Å; Y1520-F1723 WeakPolarHBondContact OH-CZ 2.94Å; P1572-F1723 HydrophobicContact CG-CD1 3.63Å; P1572-F1723 HydrophobicContact CG-CE1 3.95Å; P1572-F1723 HydrophobicContact CG-CG 4.49Å; V1574-F1723 HydrophobicContact CG2-CE1 3.72Å; H1597-F1723 HydrophobicContact CB-CZ 4.32Å; H1597-F1723 AromaticContact CD2-CZ 3.79Å; H1597-F1723 AromaticContact CG-CZ 3.88Å; P1719-F1723 WeakPolarHBondContact O-CD2 3.23Å; P1719-F1723 PolarHBondContact O-N 3.46Å; F1723-L1725 HydrophobicContact CB-CD1 4.07Å; F1723-L1725 HydrophobicContact CB-CD2 4.05Å; F1723-L1725 HydrophobicContact CB-CG 3.79Å |
| 1724 | G | 88 | Confident | 85.8 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 62% | 0.619 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 44.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1720 | R1720-G1724 WeakPolarHBondContact O-CA 3.48Å; R1720-G1724 PolarHBondContact O-N 2.86Å |
| 1725 | L | 89.8 | Confident | 84.6 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -89.3 | 145 | -175.3 | -53.1 | 171.7 | 0 | 0 | 0 | 111.4 | I1457 M1488 L1490 R1720 F1723 | I1457-L1725 HydrophobicContact CD1-CD1 3.81Å; I1457-L1725 HydrophobicContact CG2-CD1 3.79Å; M1488-L1725 HydrophobicContact SD-CB 4.31Å; M1488-L1725 HydrophobicContact SD-CD1 3.99Å; M1488-L1725 HydrophobicContact SD-CD2 4.33Å; M1488-L1725 HydrophobicContact SD-CG 4.43Å; L1490-L1725 HydrophobicContact CD1-CD1 4.33Å; L1490-L1725 HydrophobicContact CD2-CD1 4.33Å; L1490-L1725 HydrophobicContact CD2-CD2 4.04Å; R1720-L1725 HydrophobicContact CG-CB 4.37Å; R1720-L1725 PolarHBondContact O-N 3.17Å; F1723-L1725 HydrophobicContact CB-CD1 4.07Å; F1723-L1725 HydrophobicContact CB-CD2 4.05Å; F1723-L1725 HydrophobicContact CB-CG 3.79Å |
| 1726 | P | 81 | Confident | 83.5 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 161.7 | 179.1 | 29.6 | -34.9 | 0 | 0 | 0 | 112.2 | M1488 L1781 | M1488-P1726 HydrophobicContact CE-CG 4.48Å; P1726-L1781 HydrophobicContact CG-CD2 3.79Å |
| 1727 | E | 77.8 | Confident | 82.4 | Confident | 120 Ų | 120 | 44.9 Ų | 44.9 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -75.2 | 147 | 170.2 | -159.2 | 145.7 | 167.4 | 0 | 0 | 111.6 | R1720 P1729 | R1720-E1727 IonicContact CZ-OE2 3.16Å; R1720-E1727 VanDerWaalsContact NH1-CD 3.33Å; R1720-E1727 IonicContact NH1-OE1 2.88Å; R1720-E1727 IonicContact NH1-OE2 3.74Å; R1720-E1727 PolarHBondContact NH1-OE2 2.72Å; R1720-E1727 IonicContact NH2-OE2 2.79Å; R1720-E1727 PolarHBondContact NH2-OE2 3.19Å; E1727-P1729 VanDerWaalsContact C-CD 3.42Å; E1727-P1729 VanDerWaalsContact O-CD 3.27Å; E1727-P1729 WeakPolarHBondContact O-CD 3.4Å |
| 1728 | Q | 73 | Confident | 81.1 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | trans | -112.6 | 70.4 | 168.8 | -59.8 | 177.8 | -44.3 | 0 | 0 | 109.5 | T1487 M1488 D1516 N1730 T1731 | T1487-Q1728 PolarHBondContact O-NE2 2.96Å; T1487-Q1728 PolarHBondContact OG1-OE1 2.7Å; M1488-Q1728 HydrophobicContact CE-CG 4.29Å; D1516-Q1728 PolarHBondContact OD2-NE2 3.23Å; Q1728-N1730 PolarHBondContact O-N 3.13Å; Q1728-N1730 VanDerWaalsContact O-N 3.07Å; Q1728-T1731 PolarHBondContact O-N 3.47Å; Q1728-T1731 VanDerWaalsContact O-N 3.08Å | ||
| 1729 | P | 63.7 | Low | 79.8 | Confident | 100 Ų | 100 | 48.5 Ų | 48.5 | 65% | 0.649 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.5 | -169.3 | 27 | -35.7 | 0 | 0 | 0 | 113.8 | E1727 | E1727-P1729 VanDerWaalsContact C-CD 3.42Å; E1727-P1729 VanDerWaalsContact O-CD 3.27Å; E1727-P1729 WeakPolarHBondContact O-CD 3.4Å |
| 1730 | N | 67.7 | Low | 78.6 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 54% | 0.54 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 15.5 | -179.1 | -63.4 | -39.5 | 0 | 0 | 0 | 113.2 | Q1728 S1770 K1771 | Q1728-N1730 PolarHBondContact O-N 3.13Å; Q1728-N1730 VanDerWaalsContact O-N 3.07Å; N1730-S1770 WeakPolarHBondContact O-CA 3.13Å; N1730-K1771 HydrophobicContact CB-CB 4.32Å; N1730-K1771 PolarHBondContact O-N 3.21Å |
| 1731 | T | 72.8 | Confident | 77.7 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.8 | -179.1 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | G1455 T1487 Q1728 S1770 | G1455-T1731 PolarHBondContact N-O 3.27Å; G1455-T1731 VanDerWaalsContact N-O 3.16Å; T1487-T1731 HydrophobicContact CG2-CG2 3.63Å; Q1728-T1731 PolarHBondContact O-N 3.47Å; Q1728-T1731 VanDerWaalsContact O-N 3.08Å; T1731-S1770 PolarHBondContact OG1-OG 3.36Å |
| 1732 | Y | 77.8 | Confident | 77.2 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 163.3 | 178.1 | 60 | -94 | 0 | 0 | 0 | 111.1 | R1452 L1453 E1734 H1769 | R1452-Y1732 HydrophobicContact CG-CD2 3.64Å; R1452-Y1732 HydrophobicContact CG-CE2 4.39Å; R1452-Y1732 HydrophobicContact CG-CG 3.91Å; R1452-Y1732 VanDerWaalsContact NH2-CE2 3.27Å; R1452-Y1732 PolarHBondContact NH2-OH 2.93Å; L1453-Y1732 CarbonylContact O-C 3.57Å; L1453-Y1732 VanDerWaalsContact O-CA 3.25Å; L1453-Y1732 WeakPolarHBondContact O-CA 3.2Å; L1453-Y1732 WeakPolarHBondContact O-CB 3.21Å; Y1732-E1734 HydrophobicContact CD2-CG 3.95Å; Y1732-E1734 HydrophobicContact CE2-CG 3.88Å; Y1732-E1734 VanDerWaalsContact CE2-OE1 3.32Å; Y1732-E1734 WeakPolarHBondContact CE2-OE1 3.41Å; Y1732-H1769 HydrophobicContact CD2-CB 4.13Å; Y1732-H1769 HydrophobicContact CE1-CB 3.89Å; Y1732-H1769 HydrophobicContact CE2-CB 3.4Å; Y1732-H1769 AromaticContact CE2-CD2 3.7Å; Y1732-H1769 AromaticContact CE2-CG 3.89Å; Y1732-H1769 AromaticContact CZ-CG 3.92Å; Y1732-H1769 PolarHBondContact N-O 3.22Å; Y1732-H1769 VanDerWaalsContact N-O 3.15Å; Y1732-H1769 PolarHBondContact O-N 2.72Å; Y1732-H1769 VanDerWaalsContact OH-CB 3.24Å; Y1732-H1769 WeakPolarHBondContact OH-CB 3.41Å |
| 1733 | V | 79 | Confident | 76.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.5 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | R1452 L1453 G1485 T1487 L1694 V1735 V1765 F1768 | R1452-V1733 CarbonylContact C-O 3.56Å; R1452-V1733 WeakPolarHBondContact CA-O 3Å; L1453-V1733 HydrophobicContact CB-CB 4.44Å; L1453-V1733 PolarHBondContact N-O 2.65Å; L1453-V1733 PolarHBondContact O-N 3.02Å; G1485-V1733 WeakPolarHBondContact O-CG2 3.47Å; T1487-V1733 HydrophobicContact CG2-CG2 4.06Å; L1694-V1733 HydrophobicContact CD2-CG1 4.05Å; V1733-V1735 HydrophobicContact CG1-CG2 4.22Å; V1733-V1765 HydrophobicContact CG1-CG1 3.7Å; V1733-F1768 HydrophobicContact CB-CE1 4.23Å; V1733-F1768 HydrophobicContact CG1-CD1 4.32Å; V1733-F1768 HydrophobicContact CG1-CE1 3.62Å; V1733-F1768 HydrophobicContact CG1-CZ 4.07Å; V1733-F1768 HydrophobicContact CG2-CD1 4.05Å; V1733-F1768 HydrophobicContact CG2-CE1 3.78Å |
| 1734 | E | 72.8 | Confident | 76.3 | Confident | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.6 | 171.8 | -70.9 | -177 | 174.7 | 0 | 0 | 109 | R1452 Y1732 S1766 S1767 H1769 | R1452-E1734 HydrophobicContact CB-CG 4.41Å; R1452-E1734 HydrophobicContact CG-CG 4.43Å; R1452-E1734 IonicContact CZ-OE1 2.8Å; R1452-E1734 IonicContact NE-OE1 2.76Å; R1452-E1734 PolarHBondContact NE-OE1 2.97Å; R1452-E1734 IonicContact NH2-OE1 3.62Å; R1452-E1734 PolarHBondContact NH2-OE1 2.62Å; Y1732-E1734 HydrophobicContact CD2-CG 3.95Å; Y1732-E1734 HydrophobicContact CE2-CG 3.88Å; Y1732-E1734 VanDerWaalsContact CE2-OE1 3.32Å; Y1732-E1734 WeakPolarHBondContact CE2-OE1 3.41Å; E1734-S1766 PolarHBondContact O-N 3.47Å; E1734-S1766 PolarHBondContact O-OG 3.21Å; E1734-S1767 PolarHBondContact N-O 2.96Å; E1734-S1767 PolarHBondContact O-N 2.89Å; E1734-H1769 IonicContact OE2-CD2 3.29Å; E1734-H1769 IonicContact OE2-NE2 2.74Å |
| 1735 | V | 73.3 | Confident | 76 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.5 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | T1450 V1451 L1453 L1694 M1698 V1733 L1737 V1765 | T1450-V1735 CarbonylContact C-O 3.53Å; T1450-V1735 VanDerWaalsContact CA-O 3.31Å; T1450-V1735 WeakPolarHBondContact CA-O 2.79Å; V1451-V1735 PolarHBondContact N-O 3.29Å; V1451-V1735 PolarHBondContact O-N 3.39Å; L1453-V1735 HydrophobicContact CD1-CG2 3.86Å; L1453-V1735 HydrophobicContact CG-CG2 4.45Å; L1694-V1735 HydrophobicContact CD2-CG2 3.92Å; M1698-V1735 HydrophobicContact CG-CG1 3.87Å; M1698-V1735 HydrophobicContact SD-CG1 4.04Å; M1698-V1735 HydrophobicContact SD-CG2 4.47Å; V1733-V1735 HydrophobicContact CG1-CG2 4.22Å; V1735-L1737 HydrophobicContact CG1-CD2 3.94Å; V1735-V1765 HydrophobicContact CG1-CG2 4.46Å; V1735-V1765 HydrophobicContact CG2-CG1 4.36Å; V1735-V1765 HydrophobicContact CG2-CG2 4.38Å |
| 1736 | D | 74 | Confident | 75.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 109.7 | 172.6 | -164 | -35.8 | 0 | 0 | 0 | 108.7 | H1448 D1738 E1739 E1764 | H1448-D1736 VanDerWaalsContact CB-OD2 3.3Å; H1448-D1736 WeakPolarHBondContact CB-OD2 3.2Å; H1448-D1736 IonicContact CD2-OD2 3.82Å; H1448-D1736 IonicContact CG-OD2 3.76Å; H1448-D1736 VanDerWaalsContact CG-OD2 3.23Å; H1448-D1736 IonicContact ND1-OD2 3.78Å; H1448-D1736 PolarHBondContact ND1-OD2 3.49Å; D1736-D1738 VanDerWaalsContact C-N 3.28Å; D1736-D1738 PolarHBondContact OD1-N 3.21Å; D1736-E1739 HydrophobicContact CB-CB 4.34Å; D1736-E1739 PolarHBondContact OD1-N 3Å; D1736-E1764 PolarHBondContact N-O 3.28Å; D1736-E1764 VanDerWaalsContact O-O 3.08Å |
| 1737 | L | 71.7 | Confident | 75.8 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -9.8 | -177.4 | -67.8 | 179.2 | 0 | 0 | 0 | 112.8 | F1449 V1451 M1698 V1702 V1735 K1763 | F1449-L1737 HydrophobicContact CD1-CB 4.18Å; F1449-L1737 HydrophobicContact CD1-CD1 3.9Å; F1449-L1737 HydrophobicContact CE1-CD1 3.82Å; F1449-L1737 PolarHBondContact O-N 3.36Å; V1451-L1737 HydrophobicContact CG2-CD1 3.53Å; V1451-L1737 HydrophobicContact CG2-CG 4.22Å; M1698-L1737 HydrophobicContact CB-CD2 4.44Å; M1698-L1737 HydrophobicContact SD-CD2 4.23Å; V1702-L1737 HydrophobicContact CG2-CD2 4.4Å; V1735-L1737 HydrophobicContact CG1-CD2 3.94Å; L1737-K1763 WeakPolarHBondContact O-CD 3.28Å; L1737-K1763 VanDerWaalsContact O-CE 3.23Å; L1737-K1763 WeakPolarHBondContact O-CE 3.49Å; L1737-K1763 PolarHBondContact O-NZ 3.29Å |
| 1738 | D | 68.9 | Low | 75.9 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -33.6 | 178.3 | -66.4 | -35.8 | 0 | 0 | 0 | 110.7 | F1449 D1736 K1763 | F1449-D1738 WeakPolarHBondContact CB-OD2 3.48Å; F1449-D1738 PolarHBondContact N-OD2 3.11Å; D1736-D1738 VanDerWaalsContact C-N 3.28Å; D1736-D1738 PolarHBondContact OD1-N 3.21Å; D1738-K1763 PolarHBondContact O-NZ 3.3Å |
| 1739 | E | 70.1 | Confident | 76.6 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 151.1 | -178.1 | -77.8 | -61.4 | 163.5 | 0 | 0 | 115.5 | D1736 K1763 E1764 | D1736-E1739 HydrophobicContact CB-CB 4.34Å; D1736-E1739 PolarHBondContact OD1-N 3Å; E1739-K1763 WeakPolarHBondContact O-CA 3.48Å; E1739-K1763 WeakPolarHBondContact O-CD 3.42Å; E1739-E1764 HydrophobicContact CB-CB 3.72Å; E1739-E1764 PolarHBondContact O-N 3.46Å |
| 1740 | S | 71.2 | Confident | 77.7 | Confident | 44 Ų | 44 | 51 Ų | 51 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 145 | 178.1 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | K1761 L1762 | S1740-K1761 WeakPolarHBondContact OG-CE 3.44Å; S1740-L1762 CarbonylContact C-O 3.57Å; S1740-L1762 WeakPolarHBondContact CA-O 3.21Å; S1740-L1762 WeakPolarHBondContact CB-O 3.41Å |
| 1741 | W | 77 | Confident | 78.8 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 27% | 0.265 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 164.6 | -177.8 | 68.2 | -72.7 | 0 | 0 | 0 | 111.4 | V1692 V1743 P1744 K1761 L1762 K1763 | V1692-W1741 HydrophobicContact CG1-CH2 4.36Å; V1692-W1741 HydrophobicContact CG1-CZ2 4.49Å; W1741-V1743 HydrophobicContact CH2-CB 4.32Å; W1741-V1743 HydrophobicContact CH2-CG1 4.32Å; W1741-V1743 HydrophobicContact CH2-CG2 3.93Å; W1741-V1743 HydrophobicContact CZ2-CG2 4.04Å; W1741-V1743 HydrophobicContact CZ3-CB 4.4Å; W1741-V1743 HydrophobicContact CZ3-CG2 4.35Å; W1741-P1744 HydrophobicContact CZ3-CG 4.27Å; W1741-K1761 CarbonylContact O-C 3.49Å; W1741-K1761 VanDerWaalsContact O-CA 3.28Å; W1741-K1761 WeakPolarHBondContact O-CA 3.37Å; W1741-L1762 PolarHBondContact N-O 3.02Å; W1741-L1762 PolarHBondContact O-N 3.24Å; W1741-K1763 PolarHBondContact NE1-O 2.94Å |
| 1742 | V | 83.1 | Confident | 79.5 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 52% | 0.521 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127 | 174 | 179.6 | 0 | 0 | 0 | 0 | 109 | P1744 R1760 K1761 | V1742-P1744 WeakPolarHBondContact O-CD 3.48Å; V1742-R1760 CarbonylContact C-O 3.53Å; V1742-R1760 WeakPolarHBondContact CA-O 3.4Å; V1742-K1761 HydrophobicContact CG2-CB 4.35Å; V1742-K1761 HydrophobicContact CG2-CG 4.42Å |
| 1743 | V | 85.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | trans | -62 | 120.4 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | V1692 W1741 T1755 F1757 G1759 R1760 L1762 | V1692-V1743 HydrophobicContact CG1-CG1 4.11Å; V1692-V1743 HydrophobicContact CG1-CG2 4.3Å; W1741-V1743 HydrophobicContact CH2-CB 4.32Å; W1741-V1743 HydrophobicContact CH2-CG1 4.32Å; W1741-V1743 HydrophobicContact CH2-CG2 3.93Å; W1741-V1743 HydrophobicContact CZ2-CG2 4.04Å; W1741-V1743 HydrophobicContact CZ3-CB 4.4Å; W1741-V1743 HydrophobicContact CZ3-CG2 4.35Å; V1743-T1755 HydrophobicContact CG1-CG2 3.68Å; V1743-F1757 WeakPolarHBondContact CB-O 3.26Å; V1743-G1759 PolarHBondContact O-N 3.02Å; V1743-R1760 WeakPolarHBondContact CG2-O 3.49Å; V1743-R1760 PolarHBondContact N-O 3Å; V1743-L1762 HydrophobicContact CG2-CD1 3.31Å; V1743-L1762 HydrophobicContact CG2-CG 3.77Å | ||
| 1744 | P | 83.6 | Confident | 80.4 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | trans | -71.6 | 165.8 | 178.4 | 31 | -36.2 | 0 | 0 | 0 | 111.2 | W1741 V1742 Q1746 | W1741-P1744 HydrophobicContact CZ3-CG 4.27Å; V1742-P1744 WeakPolarHBondContact O-CD 3.48Å; P1744-Q1746 WeakPolarHBondContact CG-O 3.4Å; P1744-Q1746 PolarHBondContact O-N 3.44Å | ||
| 1745 | A | 83.3 | Confident | 81.3 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 60% | 0.595 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -59.2 | -34 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1754 S1758 | A1745-W1754 WeakPolarHBondContact O-CA 3.21Å; A1745-S1758 WeakPolarHBondContact CA-OG 3.41Å |
| 1746 | Q | 82.7 | Confident | 82.2 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -121.7 | 121.5 | 173.8 | 172.5 | 172.6 | 13.8 | 0 | 0 | 109.2 | P1744 | P1744-Q1746 WeakPolarHBondContact CG-O 3.4Å; P1744-Q1746 PolarHBondContact O-N 3.44Å |
| 1747 | T | 83 | Confident | 83.1 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | trans | -67.5 | 160.5 | 173 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | E1691 V1692 F1749 C1750 T1755 | E1691-T1747 WeakPolarHBondContact OE2-CB 3.41Å; V1692-T1747 HydrophobicContact CG1-CG2 4.32Å; T1747-F1749 PolarHBondContact O-N 3.01Å; T1747-C1750 WeakPolarHBondContact OG1-CB 3.45Å; T1747-T1755 HydrophobicContact CG2-CG2 3.84Å | ||
| 1748 | Q | 80.2 | Confident | 83.9 | Confident | 150 Ų | 150 | 50.3 Ų | 50.3 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -68.4 | -39.8 | -167.2 | -172.1 | 177.1 | 14.2 | 0 | 0 | 113.3 | E1691 | E1691-Q1748 WeakPolarHBondContact OE1-CB 3.38Å; E1691-Q1748 PolarHBondContact OE1-N 3.38Å; E1691-Q1748 PolarHBondContact OE2-N 2.96Å |
| 1749 | F | 87.2 | Confident | 84.8 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -114.4 | -28.3 | -169.7 | -61 | -70.5 | 0 | 0 | 0 | 114.6 | T1476 R1479 A1480 A1483 E1691 T1747 K1751 | T1476-F1749 WeakPolarHBondContact CB-O 3.37Å; R1479-F1749 HydrophobicContact CB-CB 3.95Å; R1479-F1749 HydrophobicContact CB-CD1 3.82Å; R1479-F1749 HydrophobicContact CB-CE1 4.49Å; R1479-F1749 HydrophobicContact CB-CG 3.85Å; A1480-F1749 HydrophobicContact CB-CB 4.05Å; A1483-F1749 HydrophobicContact CB-CD2 3.55Å; A1483-F1749 HydrophobicContact CB-CE2 3.67Å; E1691-F1749 PolarHBondContact OE2-N 3.3Å; T1747-F1749 PolarHBondContact O-N 3.01Å; F1749-K1751 PolarHBondContact O-N 3.38Å |
| 1750 | C | 88.2 | Confident | 85.5 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | trans | -64.1 | 124 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | E1472 H1670 T1747 S1752 | E1472-C1750 PolarHBondContact OE2-SG 2.51Å; H1670-C1750 VanDerWaalsContact CE1-SG 3.58Å; T1747-C1750 WeakPolarHBondContact OG1-CB 3.45Å; C1750-S1752 VanDerWaalsContact C-N 3.29Å; C1750-S1752 PolarHBondContact O-N 2.95Å; C1750-S1752 PolarHBondContact SG-OG 2.98Å | ||
| 1751 | K | 89.1 | Confident | 86.1 | Confident | 85 Ų | 85 | 53 Ų | 53 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.1 | -173.8 | -163 | 174.7 | -169.8 | 174.2 | 0 | 114.1 | T1469 E1472 D1473 T1476 F1749 G1753 | T1469-K1751 PolarHBondContact O-NZ 3Å; E1472-K1751 WeakPolarHBondContact OE1-CB 3.41Å; E1472-K1751 PolarHBondContact OE1-N 2.91Å; E1472-K1751 VanDerWaalsContact OE1-N 3.09Å; D1473-K1751 IonicContact OD2-NZ 3.22Å; D1473-K1751 PolarHBondContact OD2-NZ 3.09Å; T1476-K1751 HydrophobicContact CG2-CB 4.36Å; T1476-K1751 HydrophobicContact CG2-CD 4.42Å; F1749-K1751 PolarHBondContact O-N 3.38Å; K1751-G1753 PolarHBondContact O-N 3.49Å |
| 1752 | S | 88.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.6 | -177.8 | 70.5 | 0 | 0 | 0 | 0 | 114.7 | K1471 H1673 C1750 | K1471-S1752 PolarHBondContact O-N 2.65Å; H1673-S1752 WeakPolarHBondContact O-CB 3.36Å; C1750-S1752 VanDerWaalsContact C-N 3.29Å; C1750-S1752 PolarHBondContact O-N 2.95Å; C1750-S1752 PolarHBondContact SG-OG 2.98Å |
| 1753 | G | 84.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | trans | 81.8 | 12.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | K1751 | K1751-G1753 PolarHBondContact O-N 3.49Š| ||
| 1754 | W | 91.5 | Very high | 84.9 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | trans | -154.3 | 171.2 | 177.5 | 72.5 | -71.6 | 0 | 0 | 0 | 112.7 | F1636 L1640 H1673 I1675 K1678 F1687 P1688 A1745 P1756 | F1636-W1754 HydrophobicContact CZ-CZ3 4.22Å; L1640-W1754 HydrophobicContact CB-CH2 4.21Å; L1640-W1754 HydrophobicContact CB-CZ3 4.02Å; L1640-W1754 HydrophobicContact CD1-CE3 4.32Å; L1640-W1754 HydrophobicContact CD1-CZ3 4.36Å; H1673-W1754 PolarHBondContact O-NE1 3.14Å; I1675-W1754 HydrophobicContact CB-CB 4.48Å; I1675-W1754 HydrophobicContact CB-CG 4.3Å; I1675-W1754 HydrophobicContact CD1-CB 4.24Å; K1678-W1754 HydrophobicContact CD-CZ2 4.22Å; K1678-W1754 HydrophobicContact CG-CZ2 3.89Å; F1687-W1754 AromaticContact CD1-CH2 3.66Å; F1687-W1754 HydrophobicContact CD1-CH2 3.66Å; F1687-W1754 HydrophobicContact CD1-CZ2 4.4Å; F1687-W1754 HydrophobicContact CD1-CZ3 4.44Å; F1687-W1754 HydrophobicContact CE1-CH2 4.09Å; P1688-W1754 HydrophobicContact CG-CD2 4.32Å; P1688-W1754 HydrophobicContact CG-CG 4.47Å; P1688-W1754 WeakPolarHBondContact CG-O 3.33Å; A1745-W1754 WeakPolarHBondContact O-CA 3.21Å; W1754-P1756 HydrophobicContact CZ3-CB 4.49Å | ||
| 1755 | T | 91.5 | Very high | 83.5 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | trans | -153.4 | 146.1 | 169.9 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | P1688 V1743 T1747 F1757 | P1688-T1755 PolarHBondContact O-OG1 3.23Å; V1743-T1755 HydrophobicContact CG1-CG2 3.68Å; T1747-T1755 HydrophobicContact CG2-CG2 3.84Å; T1755-F1757 PolarHBondContact O-N 3.41Å | ||
| 1756 | P | 91.9 | Very high | 82 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6 | 176.7 | 31 | -38.3 | 0 | 0 | 0 | 113.7 | L1631 F1636 F1687 W1754 | L1631-P1756 HydrophobicContact CD1-CB 3.88Å; L1631-P1756 HydrophobicContact CD1-CG 4.22Å; F1636-P1756 HydrophobicContact CD1-CB 4.37Å; F1636-P1756 HydrophobicContact CE1-CB 3.92Å; F1636-P1756 HydrophobicContact CE2-CB 4.27Å; F1636-P1756 HydrophobicContact CZ-CB 3.88Å; F1687-P1756 HydrophobicContact CB-CG 4.06Å; F1687-P1756 HydrophobicContact CD2-CB 4.49Å; F1687-P1756 HydrophobicContact CD2-CG 3.97Å; F1687-P1756 HydrophobicContact CG-CG 3.94Å; W1754-P1756 HydrophobicContact CZ3-CB 4.49Å |
| 1757 | F | 92.2 | Very high | 80.5 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8.1 | -177.7 | -57 | -74.3 | 0 | 0 | 0 | 114.3 | P1626 H1627 F1630 L1631 V1692 L1696 V1743 T1755 G1759 R1760 | P1626-F1757 HydrophobicContact CB-CZ 4.41Å; H1627-F1757 HydrophobicContact CB-CZ 4.02Å; F1630-F1757 HydrophobicContact CB-CE1 4.1Å; L1631-F1757 HydrophobicContact CD1-CE1 4.01Å; L1631-F1757 HydrophobicContact CD1-CZ 4.22Å; L1631-F1757 HydrophobicContact CD2-CD1 4.42Å; L1631-F1757 HydrophobicContact CD2-CE1 4.14Å; L1631-F1757 HydrophobicContact CG-CE1 3.91Å; L1631-F1757 HydrophobicContact CG-CZ 4.47Å; V1692-F1757 HydrophobicContact CG2-CD2 3.6Å; V1692-F1757 HydrophobicContact CG2-CE2 4.1Å; V1692-F1757 HydrophobicContact CG2-CG 4.39Å; L1696-F1757 HydrophobicContact CD1-CD1 3.87Å; L1696-F1757 HydrophobicContact CD1-CD2 3.98Å; L1696-F1757 HydrophobicContact CD1-CE1 3.75Å; L1696-F1757 HydrophobicContact CD1-CE2 3.84Å; L1696-F1757 HydrophobicContact CD1-CG 3.96Å; L1696-F1757 HydrophobicContact CD1-CZ 3.71Å; L1696-F1757 HydrophobicContact CD2-CD1 4.22Å; L1696-F1757 HydrophobicContact CD2-CE1 4.48Å; V1743-F1757 WeakPolarHBondContact CB-O 3.26Å; T1755-F1757 PolarHBondContact O-N 3.41Å; F1757-G1759 PolarHBondContact O-N 2.7Å; F1757-R1760 WeakPolarHBondContact O-CB 3.35Å; F1757-R1760 PolarHBondContact O-N 2.69Å |
| 1758 | S | 89.7 | Confident | 78.7 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 42% | 0.42 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 136.7 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | A1745 | A1745-S1758 WeakPolarHBondContact CA-OG 3.41Š|
| 1759 | G | 86.8 | Confident | 76.9 | Confident | 56 Ų | 56 | 42 Ų | 42 | 58% | 0.577 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -2.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1743 F1757 | V1743-G1759 PolarHBondContact O-N 3.02Å; F1757-G1759 PolarHBondContact O-N 2.7Å |
| 1760 | R | 85.9 | Confident | 74.6 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 30% | 0.302 | 22% | 0.223 | S | C | . | . | trans | -82.8 | 140.8 | 175.8 | -70 | -168.5 | 174.4 | -162.6 | 1.1 | 112 | F1630 V1742 V1743 F1757 L1762 | F1630-R1760 PolarHBondContact O-NH2 3.22Å; V1742-R1760 CarbonylContact C-O 3.53Å; V1742-R1760 WeakPolarHBondContact CA-O 3.4Å; V1743-R1760 WeakPolarHBondContact CG2-O 3.49Å; V1743-R1760 PolarHBondContact N-O 3Å; F1757-R1760 WeakPolarHBondContact O-CB 3.35Å; F1757-R1760 PolarHBondContact O-N 2.69Å; R1760-L1762 HydrophobicContact CB-CD2 4.33Å | ||
| 1761 | K | 83.7 | Confident | 72.2 | Confident | 139 Ų | 139 | 50 Ų | 50 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.9 | 172.6 | -170.1 | 176.6 | -179 | 177.9 | 0 | 110.8 | N1699 S1740 W1741 V1742 | N1699-K1761 PolarHBondContact ND2-O 2.78Å; S1740-K1761 WeakPolarHBondContact OG-CE 3.44Å; W1741-K1761 CarbonylContact O-C 3.49Å; W1741-K1761 VanDerWaalsContact O-CA 3.28Å; W1741-K1761 WeakPolarHBondContact O-CA 3.37Å; V1742-K1761 HydrophobicContact CG2-CB 4.35Å; V1742-K1761 HydrophobicContact CG2-CG 4.42Å |
| 1762 | L | 81.6 | Confident | 69.8 | Low | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 157.6 | -175.4 | -56.2 | -176.2 | 0 | 0 | 0 | 111.7 | V1692 P1695 L1696 N1699 S1740 W1741 V1743 R1760 | V1692-L1762 HydrophobicContact CB-CD1 4.41Å; P1695-L1762 HydrophobicContact CB-CB 3.92Å; P1695-L1762 HydrophobicContact CB-CD1 3.86Å; P1695-L1762 HydrophobicContact CB-CG 4.49Å; L1696-L1762 HydrophobicContact CD2-CD1 4.18Å; L1696-L1762 HydrophobicContact CD2-CD2 3.6Å; L1696-L1762 HydrophobicContact CG-CD1 3.99Å; L1696-L1762 HydrophobicContact CG-CD2 4.16Å; N1699-L1762 WeakPolarHBondContact OD1-CA 3.22Å; S1740-L1762 CarbonylContact C-O 3.57Å; S1740-L1762 WeakPolarHBondContact CA-O 3.21Å; S1740-L1762 WeakPolarHBondContact CB-O 3.41Å; W1741-L1762 PolarHBondContact N-O 3.02Å; W1741-L1762 PolarHBondContact O-N 3.24Å; V1743-L1762 HydrophobicContact CG2-CD1 3.31Å; V1743-L1762 HydrophobicContact CG2-CG 3.77Å; R1760-L1762 HydrophobicContact CB-CD2 4.33Å |
| 1763 | K | 71.6 | Confident | 67.3 | Low | 39 Ų | 39 | 52.4 Ų | 52.4 | 17% | 0.17 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 148.3 | 170.2 | -69.9 | -62.4 | -175.8 | 169.3 | 0 | 111.5 | P1695 M1698 N1699 V1702 L1737 D1738 E1739 W1741 | P1695-K1763 WeakPolarHBondContact CB-O 3.23Å; M1698-K1763 HydrophobicContact CB-CB 4.26Å; N1699-K1763 WeakPolarHBondContact OD1-CG 3.13Å; N1699-K1763 PolarHBondContact OD1-N 3.17Å; V1702-K1763 HydrophobicContact CG2-CG 4.29Å; L1737-K1763 WeakPolarHBondContact O-CD 3.28Å; L1737-K1763 VanDerWaalsContact O-CE 3.23Å; L1737-K1763 WeakPolarHBondContact O-CE 3.49Å; L1737-K1763 PolarHBondContact O-NZ 3.29Å; D1738-K1763 PolarHBondContact O-NZ 3.3Å; E1739-K1763 WeakPolarHBondContact O-CA 3.48Å; E1739-K1763 WeakPolarHBondContact O-CD 3.42Å; W1741-K1763 PolarHBondContact NE1-O 2.94Å |
| 1764 | E | 65.4 | Low | 64.8 | Low | 77 Ų | 77 | 61.3 Ų | 61.3 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.7 | -176.1 | -166.9 | 170.9 | 163.6 | 0 | 0 | 112.2 | D1736 E1739 | D1736-E1764 PolarHBondContact N-O 3.28Å; D1736-E1764 VanDerWaalsContact O-O 3.08Å; E1739-E1764 HydrophobicContact CB-CB 3.72Å; E1739-E1764 PolarHBondContact O-N 3.46Å |
| 1765 | V | 54.5 | Low | 62 | Low | 20 Ų | 20 | 69 Ų | 69 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 103 | 168 | 179.4 | 0 | 0 | 0 | 0 | 106 | L1694 P1695 V1733 V1735 F1768 | L1694-V1765 HydrophobicContact CB-CG2 4.39Å; L1694-V1765 HydrophobicContact CD2-CG1 4.23Å; L1694-V1765 HydrophobicContact CD2-CG2 3.77Å; L1694-V1765 HydrophobicContact CG-CG2 4.04Å; P1695-V1765 HydrophobicContact CG-CG2 3.96Å; V1733-V1765 HydrophobicContact CG1-CG1 3.7Å; V1735-V1765 HydrophobicContact CG1-CG2 4.46Å; V1735-V1765 HydrophobicContact CG2-CG1 4.36Å; V1735-V1765 HydrophobicContact CG2-CG2 4.38Å; V1765-F1768 HydrophobicContact CG1-CE1 4.45Å; V1765-F1768 HydrophobicContact CG1-CE2 4.17Å; V1765-F1768 HydrophobicContact CG1-CZ 3.59Å |
| 1766 | S | 51.8 | Low | 59.1 | Low | 25 Ų | 25 | 76.6 Ų | 76.6 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -27.9 | -160.8 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | E1734 | E1734-S1766 PolarHBondContact O-N 3.47Å; E1734-S1766 PolarHBondContact O-OG 3.21Å |
| 1767 | S | 50.7 | Low | 56.2 | Low | 26 Ų | 26 | 82 Ų | 82 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 150.1 | -175.3 | 48.3 | 0 | 0 | 0 | 0 | 115.6 | E1734 | E1734-S1767 PolarHBondContact N-O 2.96Å; E1734-S1767 PolarHBondContact O-N 2.89Å |
| 1768 | F | 45.9 | Very low | 53 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 29% | 0.285 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.1 | 171.3 | -63.4 | -82.2 | 0 | 0 | 0 | 109.5 | L1482 T1487 V1733 V1765 | L1482-F1768 HydrophobicContact CD2-CD1 4.49Å; L1482-F1768 WeakPolarHBondContact O-CE1 3.37Å; L1482-F1768 WeakPolarHBondContact O-CE2 3.39Å; L1482-F1768 WeakPolarHBondContact O-CZ 3.34Å; T1487-F1768 HydrophobicContact CG2-CD1 4.49Å; V1733-F1768 HydrophobicContact CB-CE1 4.23Å; V1733-F1768 HydrophobicContact CG1-CD1 4.32Å; V1733-F1768 HydrophobicContact CG1-CE1 3.62Å; V1733-F1768 HydrophobicContact CG1-CZ 4.07Å; V1733-F1768 HydrophobicContact CG2-CD1 4.05Å; V1733-F1768 HydrophobicContact CG2-CE1 3.78Å; V1765-F1768 HydrophobicContact CG1-CE1 4.45Å; V1765-F1768 HydrophobicContact CG1-CE2 4.17Å; V1765-F1768 HydrophobicContact CG1-CZ 3.59Å |
| 1769 | H | 41.8 | Very low | 50.1 | Low | 80 Ų | 80 | 84.2 Ų | 84.2 | 37% | 0.37 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.8 | 173.7 | -68.4 | -68.7 | 0 | 0 | 0 | 109.3 | Y1732 E1734 | Y1732-H1769 HydrophobicContact CD2-CB 4.13Å; Y1732-H1769 HydrophobicContact CE1-CB 3.89Å; Y1732-H1769 HydrophobicContact CE2-CB 3.4Å; Y1732-H1769 AromaticContact CE2-CD2 3.7Å; Y1732-H1769 AromaticContact CE2-CG 3.89Å; Y1732-H1769 AromaticContact CZ-CG 3.92Å; Y1732-H1769 PolarHBondContact N-O 3.22Å; Y1732-H1769 VanDerWaalsContact N-O 3.15Å; Y1732-H1769 PolarHBondContact O-N 2.72Å; Y1732-H1769 VanDerWaalsContact OH-CB 3.24Å; Y1732-H1769 WeakPolarHBondContact OH-CB 3.41Å; E1734-H1769 IonicContact OE2-CD2 3.29Å; E1734-H1769 IonicContact OE2-NE2 2.74Å |
| 1770 | S | 39.5 | Very low | 47.3 | Very low | 37 Ų | 37 | 86.4 Ų | 86.4 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.6 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | N1730 T1731 G1772 I1773 | N1730-S1770 WeakPolarHBondContact O-CA 3.13Å; T1731-S1770 PolarHBondContact OG1-OG 3.36Å; S1770-G1772 PolarHBondContact O-N 3.26Å; S1770-G1772 PolarHBondContact OG-N 3.04Å; S1770-G1772 VanDerWaalsContact OG-N 3.14Å; S1770-I1773 WeakPolarHBondContact OG-CG1 3.39Å; S1770-I1773 PolarHBondContact OG-N 2.75Å |
| 1771 | K | 37.9 | Very low | 44.6 | Very low | 201 Ų | 201 | 87.7 Ų | 87.7 | 87% | 0.874 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -73.9 | 6.3 | 170.8 | -106.3 | -175.3 | 178.6 | -178.9 | 0 | 113.5 | N1730 | N1730-K1771 HydrophobicContact CB-CB 4.32Å; N1730-K1771 PolarHBondContact O-N 3.21Å |
| 1772 | G | 38.2 | Very low | 42.1 | Very low | 66 Ų | 66 | 91.1 Ų | 91.1 | 68% | 0.68 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -136.8 | -9.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117 | S1770 R1774 | S1770-G1772 PolarHBondContact O-N 3.26Å; S1770-G1772 PolarHBondContact OG-N 3.04Å; S1770-G1772 VanDerWaalsContact OG-N 3.14Å; G1772-R1774 PolarHBondContact O-N 2.86Å; G1772-R1774 VanDerWaalsContact O-N 3.16Å |
| 1773 | I | 36 | Very low | 39.7 | Very low | 73 Ų | 73 | 98 Ų | 98 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | trans | -86.9 | 89 | 178.7 | -59.4 | 167.9 | 0 | 0 | 0 | 108.8 | S1770 | S1770-I1773 WeakPolarHBondContact OG-CG1 3.39Å; S1770-I1773 PolarHBondContact OG-N 2.75Å | ||
| 1774 | R | 32.5 | Very low | 38.2 | Very low | 209 Ų | 209 | 100.6 Ų | 100.6 | 79% | 0.789 | 52% | 0.523 | S | S | * | . | trans | -63.4 | 131 | 153.1 | -98.8 | -177.8 | 174 | -177.9 | -2.7 | 106.7 | G1772 E1776 | G1772-R1774 PolarHBondContact O-N 2.86Å; G1772-R1774 VanDerWaalsContact O-N 3.16Å; R1774-E1776 PolarHBondContact O-N 2.87Å | ||
| 1775 | Q | 33 | Very low | 37.7 | Very low | 168 Ų | 168 | 98.2 Ų | 98.2 | 79% | 0.785 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 10.5 | -178.8 | -133.2 | 177 | 17.3 | 0 | 0 | 114.7 | ||
| 1776 | E | 29.9 | Very low | 38.1 | Very low | 168 Ų | 168 | 102.6 Ų | 102.6 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -8.2 | -170.4 | -77.5 | -171.4 | 149.8 | 0 | 0 | 117.2 | R1774 | R1774-E1776 PolarHBondContact O-N 2.87Š|
| 1777 | D | 30.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 101.7 Ų | 101.7 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | trans | -142.6 | 102.4 | -179.9 | -72.9 | -53.1 | 0 | 0 | 0 | 112.6 | C1779 | D1777-C1779 PolarHBondContact O-N 2.81Š| ||
| 1778 | G | 26.6 | Very low | 40.8 | Very low | 22 Ų | 22 | 107.2 Ų | 107.2 | 23% | 0.227 | 55% | 0.553 | C | S | . | * | trans | -62.6 | 104.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1511 A1513 L1780 | A1511-G1778 PolarHBondContact O-N 3.06Å; A1513-G1778 WeakPolarHBondContact O-CA 3.36Å; G1778-L1780 PolarHBondContact O-N 2.73Å | ||
| 1779 | C | 28.3 | Very low | 42.4 | Very low | 88 Ų | 88 | 107.1 Ų | 107.1 | 60% | 0.595 | 57% | 0.57 | S | S | * | * | trans | -85.2 | 112.8 | -177.9 | -141.1 | 0 | 0 | 0 | 0 | 110.2 | D1777 L1781 | D1777-C1779 PolarHBondContact O-N 2.81Å; C1779-L1781 PolarHBondContact O-N 2.85Å | ||
| 1780 | L | 28.6 | Very low | 44.7 | Very low | 101 Ų | 101 | 108.3 Ų | 108.3 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | trans | -54.2 | 119.7 | 158.6 | -113.1 | 156.7 | 0 | 0 | 0 | 108.4 | A1509 G1778 R1782 | A1509-L1780 HydrophobicContact CB-CD1 3.54Å; G1778-L1780 PolarHBondContact O-N 2.73Å; L1780-R1782 VanDerWaalsContact C-N 3.34Å; L1780-R1782 PolarHBondContact O-N 2.85Å | ||
| 1781 | L | 29.2 | Very low | 47.3 | Very low | 108 Ų | 108 | 108.2 Ų | 108.2 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -20.2 | 85.2 | 173.9 | -74.5 | 162.5 | 0 | 0 | 0 | 113.8 | P1726 C1779 | P1726-L1781 HydrophobicContact CG-CD2 3.79Å; C1779-L1781 PolarHBondContact O-N 2.85Å |
| 1782 | R | 29.3 | Very low | 50 | Low | 211 Ų | 211 | 98.6 Ų | 98.6 | 80% | 0.796 | 53% | 0.527 | S | S | * | . | trans | -118.9 | 115.6 | 159.2 | -78.5 | -169.7 | 175.1 | -162.8 | 0.5 | 105.1 | L1780 A1784 | L1780-R1782 VanDerWaalsContact C-N 3.34Å; L1780-R1782 PolarHBondContact O-N 2.85Å; R1782-A1784 PolarHBondContact O-N 2.8Å; R1782-A1784 VanDerWaalsContact O-N 3.12Å | ||
| 1783 | N | 32.3 | Very low | 52.7 | Low | 147 Ų | 147 | 95.5 Ų | 95.5 | 79% | 0.786 | 50% | 0.495 | S | S | * | . | trans | -36.4 | 119.7 | 175.5 | -76.8 | -25.6 | 0 | 0 | 0 | 110.6 | S1785 | N1783-S1785 WeakPolarHBondContact O-CB 3.01Å; N1783-S1785 PolarHBondContact O-N 3.38Å | ||
| 1784 | A | 40.6 | Very low | 55.5 | Low | 94 Ų | 94 | 92.1 Ų | 92.1 | 78% | 0.777 | 48% | 0.478 | S | S | * | . | trans | -56.7 | 103.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | R1782 I1786 | R1782-A1784 PolarHBondContact O-N 2.8Å; R1782-A1784 VanDerWaalsContact O-N 3.12Å; A1784-I1786 PolarHBondContact O-N 3.48Å | ||
| 1785 | S | 53.8 | Low | 58.3 | Low | 27 Ų | 27 | 82.2 Ų | 82.2 | 19% | 0.189 | 44% | 0.441 | C | S | . | . | trans | -99 | 85.9 | -167.1 | 142.9 | 0 | 0 | 0 | 0 | 107.8 | N1783 L1787 Q1788 L1814 G1815 | N1783-S1785 WeakPolarHBondContact O-CB 3.01Å; N1783-S1785 PolarHBondContact O-N 3.38Å; S1785-L1787 PolarHBondContact O-N 3.03Å; S1785-Q1788 WeakPolarHBondContact O-CB 3.22Å; S1785-Q1788 PolarHBondContact O-N 2.89Å; S1785-Q1788 WeakPolarHBondContact OG-CA 3.07Å; S1785-Q1788 WeakPolarHBondContact OG-CB 3.32Å; S1785-Q1788 VanDerWaalsContact OG-CG 3.22Å; S1785-Q1788 WeakPolarHBondContact OG-CG 3.3Å; S1785-Q1788 PolarHBondContact OG-N 2.77Å; S1785-Q1788 PolarHBondContact OG-OE1 3.3Å; S1785-L1814 CarbonylContact C-O 3.5Å; S1785-L1814 WeakPolarHBondContact CA-O 3.42Å; S1785-L1814 PolarHBondContact OG-O 2.91Å; S1785-G1815 VanDerWaalsContact OG-CA 3.24Å; S1785-G1815 WeakPolarHBondContact OG-CA 3.46Å | ||
| 1786 | I | 64 | Low | 61.1 | Low | 112 Ų | 112 | 74.6 Ų | 74.6 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -35 | -174.9 | -52.1 | -178.5 | 0 | 0 | 0 | 112.5 | A1784 L1814 | A1784-I1786 PolarHBondContact O-N 3.48Å; I1786-L1814 HydrophobicContact CB-CD2 4.27Å; I1786-L1814 HydrophobicContact CD1-CD2 3.85Å; I1786-L1814 HydrophobicContact CG1-CD2 4.27Å; I1786-L1814 PolarHBondContact N-O 3.21Å |
| 1787 | L | 80 | Confident | 63.8 | Low | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 29.6 | -177.7 | -59.1 | -176.4 | 0 | 0 | 0 | 112.5 | S1785 G1789 R1790 M1811 L1814 G1816 L2041 F2045 | S1785-L1787 PolarHBondContact O-N 3.03Å; L1787-G1789 PolarHBondContact O-N 2.94Å; L1787-R1790 HydrophobicContact CB-CB 4.22Å; L1787-R1790 HydrophobicContact CB-CG 4.29Å; L1787-R1790 WeakPolarHBondContact O-CB 3.21Å; L1787-R1790 PolarHBondContact O-N 3.02Å; L1787-M1811 HydrophobicContact CB-CE 4.32Å; L1787-M1811 HydrophobicContact CD1-CE 4.28Å; L1787-M1811 HydrophobicContact CD1-SD 3.68Å; L1787-L1814 HydrophobicContact CB-CB 4.07Å; L1787-L1814 HydrophobicContact CD1-CB 3.87Å; L1787-L1814 HydrophobicContact CD1-CD1 3.59Å; L1787-L1814 HydrophobicContact CD1-CG 4.38Å; L1787-L1814 HydrophobicContact CG-CB 3.89Å; L1787-L1814 HydrophobicContact CG-CD1 4.24Å; L1787-L1814 PolarHBondContact N-O 2.89Å; L1787-G1816 VanDerWaalsContact O-CA 3.24Å; L1787-G1816 WeakPolarHBondContact O-CA 3.44Å; L1787-G1816 PolarHBondContact O-N 3.33Å; L1787-L2041 HydrophobicContact CD1-CB 3.95Å; L1787-F2045 HydrophobicContact CD1-CD2 3.81Å; L1787-F2045 HydrophobicContact CD1-CE2 4.11Å; L1787-F2045 HydrophobicContact CD2-CB 3.73Å; L1787-F2045 HydrophobicContact CD2-CD2 3.4Å; L1787-F2045 HydrophobicContact CD2-CE2 4.24Å; L1787-F2045 HydrophobicContact CD2-CG 3.75Å; L1787-F2045 HydrophobicContact CG-CD2 4.24Å |
| 1788 | Q | 78.4 | Confident | 66.4 | Low | 143 Ų | 143 | 64.6 Ų | 64.6 | 67% | 0.668 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 130.1 | -179.9 | -150.3 | 161.3 | -19 | 0 | 0 | 111.4 | S1785 R1790 | S1785-Q1788 WeakPolarHBondContact O-CB 3.22Å; S1785-Q1788 PolarHBondContact O-N 2.89Å; S1785-Q1788 WeakPolarHBondContact OG-CA 3.07Å; S1785-Q1788 WeakPolarHBondContact OG-CB 3.32Å; S1785-Q1788 VanDerWaalsContact OG-CG 3.22Å; S1785-Q1788 WeakPolarHBondContact OG-CG 3.3Å; S1785-Q1788 PolarHBondContact OG-N 2.77Å; S1785-Q1788 PolarHBondContact OG-OE1 3.3Å; Q1788-R1790 PolarHBondContact O-N 3.36Å |
| 1789 | G | 80.4 | Confident | 69 | Low | 63 Ų | 63 | 68.5 Ų | 68.5 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -7.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | L1787 | L1787-G1789 PolarHBondContact O-N 2.94Š|
| 1790 | R | 88.8 | Confident | 71.8 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | trans | -77.9 | 143.5 | 171.8 | -58.6 | -62.3 | -172.6 | 173.3 | 3.6 | 110.6 | L1787 Q1788 M1811 G1816 S1817 D1846 F2045 | L1787-R1790 HydrophobicContact CB-CB 4.22Å; L1787-R1790 HydrophobicContact CB-CG 4.29Å; L1787-R1790 WeakPolarHBondContact O-CB 3.21Å; L1787-R1790 PolarHBondContact O-N 3.02Å; Q1788-R1790 PolarHBondContact O-N 3.36Å; R1790-M1811 HydrophobicContact CB-CE 3.56Å; R1790-M1811 VanDerWaalsContact O-CE 3.28Å; R1790-M1811 WeakPolarHBondContact O-CE 3.32Å; R1790-G1816 CarbonylContact O-C 3.47Å; R1790-G1816 WeakPolarHBondContact O-CA 3.49Å; R1790-S1817 PolarHBondContact O-N 3.49Å; R1790-D1846 WeakPolarHBondContact CA-OD2 3.43Å; R1790-D1846 IonicContact NH1-OD1 2.8Å; R1790-D1846 PolarHBondContact NH1-OD1 3.27Å; R1790-D1846 VanDerWaalsContact NH1-OD1 3.11Å; R1790-F2045 HydrophobicContact CB-CZ 4.34Å; R1790-F2045 HydrophobicContact CG-CE1 4.46Å | ||
| 1791 | V | 93.8 | Very high | 74.5 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.5 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | S1817 I1819 C1845 D1846 | V1791-S1817 WeakPolarHBondContact CA-O 3.24Å; V1791-I1819 HydrophobicContact CG1-CD1 3.5Å; V1791-I1819 HydrophobicContact CG1-CG1 3.76Å; V1791-C1845 HydrophobicContact CB-CB 4.43Å; V1791-C1845 HydrophobicContact CG1-CB 4.1Å; V1791-C1845 WeakPolarHBondContact O-CB 3.48Å; V1791-D1846 PolarHBondContact N-OD2 2.85Å; V1791-D1846 PolarHBondContact O-N 2.86Å |
| 1792 | M | 96.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.4 | 172.5 | 173.3 | -177.9 | 77.8 | 0 | 0 | 110.2 | T1794 F1807 M1811 S1817 V1818 I1819 V1847 V1849 L2041 | M1792-T1794 HydrophobicContact CE-CG2 3.75Å; M1792-F1807 HydrophobicContact CE-CB 3.93Å; M1792-F1807 WeakPolarHBondContact CE-O 3.23Å; M1792-F1807 HydrophobicContact SD-CB 4.29Å; M1792-F1807 HydrophobicContact SD-CD1 4.2Å; M1792-M1811 HydrophobicContact CB-CE 3.95Å; M1792-M1811 HydrophobicContact CB-CG 3.87Å; M1792-M1811 HydrophobicContact CB-SD 3.88Å; M1792-M1811 HydrophobicContact CE-CB 3.75Å; M1792-M1811 HydrophobicContact CE-CG 4.32Å; M1792-M1811 HydrophobicContact SD-CB 4.23Å; M1792-S1817 PolarHBondContact N-O 3.37Å; M1792-V1818 HydrophobicContact CE-CB 4.41Å; M1792-V1818 HydrophobicContact CE-CG1 3.81Å; M1792-V1818 HydrophobicContact CE-CG2 3.81Å; M1792-V1818 CarbonylContact O-C 3.51Å; M1792-V1818 VanDerWaalsContact O-CA 3.3Å; M1792-V1818 WeakPolarHBondContact O-CA 3.35Å; M1792-I1819 PolarHBondContact O-N 3.27Å; M1792-V1847 WeakPolarHBondContact CA-O 3.16Å; M1792-V1847 HydrophobicContact CB-CG1 3.7Å; M1792-V1847 HydrophobicContact CG-CG1 3.81Å; M1792-V1849 HydrophobicContact CG-CG2 3.94Å; M1792-V1849 HydrophobicContact SD-CG2 3.54Å; M1792-V1849 VanDerWaalsContact SD-CG2 3.54Å; M1792-L2041 HydrophobicContact SD-CD1 4.14Å; M1792-L2041 HydrophobicContact SD-CD2 3.88Å |
| 1793 | T | 94.5 | Very high | 80.2 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.4 | 170.5 | -65 | 0 | 0 | 0 | 0 | 110.7 | I1819 V1821 L1841 C1845 V1847 L1848 V1849 | T1793-I1819 CarbonylContact C-O 3.46Å; T1793-I1819 VanDerWaalsContact CA-O 3.27Å; T1793-I1819 WeakPolarHBondContact CA-O 3.34Å; T1793-V1821 HydrophobicContact CG2-CB 4.46Å; T1793-V1821 HydrophobicContact CG2-CG2 3.68Å; T1793-L1841 HydrophobicContact CG2-CD1 4.16Å; T1793-L1841 HydrophobicContact CG2-CD2 4.4Å; T1793-C1845 VanDerWaalsContact CB-SG 3.54Å; T1793-C1845 WeakPolarHBondContact OG1-CB 3.18Å; T1793-C1845 PolarHBondContact OG1-SG 3.43Å; T1793-V1847 PolarHBondContact N-O 3.12Å; T1793-L1848 HydrophobicContact CG2-CD2 3.78Å; T1793-V1849 PolarHBondContact O-N 3.47Å |
| 1794 | T | 93.7 | Very high | 83 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.5 | 172.3 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | M1792 Q1804 V1818 I1819 P1820 V1821 V1849 | M1792-T1794 HydrophobicContact CE-CG2 3.75Å; T1794-Q1804 PolarHBondContact OG1-NE2 3.46Å; T1794-V1818 HydrophobicContact CG2-CG1 4.22Å; T1794-I1819 PolarHBondContact N-O 2.95Å; T1794-P1820 WeakPolarHBondContact OG1-CA 3.33Å; T1794-V1821 PolarHBondContact O-N 2.91Å; T1794-V1849 HydrophobicContact CG2-CB 4.21Å |
| 1795 | L | 92 | Very high | 85.5 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 100.5 | -177.6 | -177.6 | 62.5 | 0 | 0 | 0 | 110 | Y1797 V1821 L1834 T1837 V1838 L1841 V1849 L1850 R1851 | L1795-Y1797 HydrophobicContact CD1-CE2 3.95Å; L1795-Y1797 HydrophobicContact CD2-CE2 3.84Å; L1795-Y1797 HydrophobicContact CG-CD2 4.26Å; L1795-Y1797 HydrophobicContact CG-CE2 3.65Å; L1795-V1821 HydrophobicContact CD1-CB 3.89Å; L1795-V1821 HydrophobicContact CD1-CG1 3.55Å; L1795-L1834 HydrophobicContact CD2-CD1 4.45Å; L1795-T1837 HydrophobicContact CD1-CG2 4.29Å; L1795-T1837 HydrophobicContact CD2-CG2 4.02Å; L1795-V1838 HydrophobicContact CD2-CG2 4.2Å; L1795-L1841 HydrophobicContact CD1-CD1 4.01Å; L1795-L1841 HydrophobicContact CD2-CD1 3.94Å; L1795-L1841 HydrophobicContact CG-CD1 4.4Å; L1795-V1849 PolarHBondContact N-O 3.38Å; L1795-L1850 HydrophobicContact CB-CD1 4.23Å; L1795-L1850 HydrophobicContact CD2-CD1 3.95Å; L1795-L1850 HydrophobicContact CG-CD1 4Å; L1795-L1850 WeakPolarHBondContact O-CA 3.38Å; L1795-L1850 WeakPolarHBondContact O-CD1 3.43Å; L1795-R1851 PolarHBondContact O-N 3.07Å |
| 1796 | F | 91.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.3 | -172 | -81.9 | -124.6 | 0 | 0 | 0 | 110.7 | T1803 Q1804 V1821 V1849 R1851 A1872 | F1796-T1803 HydrophobicContact CE1-CG2 4.16Å; F1796-T1803 HydrophobicContact CZ-CG2 3.96Å; F1796-Q1804 HydrophobicContact CD1-CB 4.32Å; F1796-Q1804 HydrophobicContact CE1-CB 3.97Å; F1796-Q1804 HydrophobicContact CE2-CB 4.47Å; F1796-Q1804 HydrophobicContact CZ-CB 4.06Å; F1796-V1821 PolarHBondContact N-O 2.84Å; F1796-V1849 HydrophobicContact CE2-CG1 4Å; F1796-V1849 HydrophobicContact CZ-CG1 4.38Å; F1796-R1851 HydrophobicContact CD1-CB 3.72Å; F1796-R1851 HydrophobicContact CD1-CG 4.27Å; F1796-R1851 HydrophobicContact CD2-CB 4.22Å; F1796-R1851 HydrophobicContact CE1-CB 3.87Å; F1796-R1851 HydrophobicContact CE1-CG 4.39Å; F1796-R1851 HydrophobicContact CE2-CB 4.35Å; F1796-R1851 HydrophobicContact CG-CB 3.89Å; F1796-R1851 HydrophobicContact CZ-CB 4.18Å; F1796-A1872 HydrophobicContact CE2-CB 4.41Å; F1796-A1872 HydrophobicContact CZ-CB 3.95Å |
| 1797 | Y | 88.1 | Confident | 88.8 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -89.6 | -18.5 | 172.7 | -67.6 | -108.2 | 0 | 0 | 0 | 112.6 | L1795 V1828 L1834 L1850 R1851 H1852 Y1853 | L1795-Y1797 HydrophobicContact CD1-CE2 3.95Å; L1795-Y1797 HydrophobicContact CD2-CE2 3.84Å; L1795-Y1797 HydrophobicContact CG-CD2 4.26Å; L1795-Y1797 HydrophobicContact CG-CE2 3.65Å; Y1797-V1828 HydrophobicContact CD1-CG1 4.22Å; Y1797-V1828 HydrophobicContact CE1-CB 4.16Å; Y1797-V1828 HydrophobicContact CE1-CG1 3.58Å; Y1797-V1828 HydrophobicContact CE1-CG2 3.51Å; Y1797-V1828 WeakPolarHBondContact OH-CG2 3.47Å; Y1797-L1834 HydrophobicContact CE2-CD1 3.82Å; Y1797-L1850 HydrophobicContact CD2-CD1 4.19Å; Y1797-L1850 HydrophobicContact CE2-CD1 4.13Å; Y1797-R1851 PolarHBondContact N-O 3.07Å; Y1797-H1852 AromaticContact CD1-CD2 3.95Å; Y1797-H1852 AromaticContact CD1-NE2 3.85Å; Y1797-H1852 AromaticContact CD2-CD2 3.36Å; Y1797-H1852 WeakPolarHBondContact CD2-CD2 3.32Å; Y1797-H1852 AromaticContact CE1-NE2 3.95Å; Y1797-H1852 AromaticContact CE2-CD2 3.67Å; Y1797-H1852 AromaticContact CG-CD2 3.51Å; Y1797-H1852 AromaticContact CG-NE2 3.9Å; Y1797-Y1853 HydrophobicContact CD1-CE1 4.01Å; Y1797-Y1853 HydrophobicContact CG-CE1 4.36Å |
| 1798 | E | 83.9 | Confident | 89.5 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 27% | 0.271 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -117.4 | 131.5 | 167.8 | -70 | -178.3 | 115.4 | 0 | 0 | 109.5 | S1800 H1852 R1912 | E1798-S1800 PolarHBondContact O-N 2.69Å; E1798-H1852 VanDerWaalsContact OE2-O 3.14Å; E1798-R1912 VanDerWaalsContact CD-NH2 3.31Å; E1798-R1912 IonicContact OE1-NH2 3Å; E1798-R1912 PolarHBondContact OE1-NH2 2.89Å; E1798-R1912 VanDerWaalsContact OE1-NH2 3.09Å; E1798-R1912 IonicContact OE2-CZ 3.04Å; E1798-R1912 IonicContact OE2-NH1 3.99Å; E1798-R1912 PolarHBondContact OE2-NH1 3.14Å; E1798-R1912 IonicContact OE2-NH2 3.67Å; E1798-R1912 PolarHBondContact OE2-NH2 2.72Å |
| 1799 | A | 81 | Confident | 90 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 86% | 0.86 | 23% | 0.227 | S | C | * | . | trans | -65.8 | 132.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1800 | S | 87.1 | Confident | 90.5 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | trans | -151.9 | 100.8 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | E1798 R1802 T1803 Q1804 R1851 | E1798-S1800 PolarHBondContact O-N 2.69Å; S1800-R1802 PolarHBondContact O-N 3.31Å; S1800-T1803 WeakPolarHBondContact OG-CB 3.44Å; S1800-T1803 PolarHBondContact OG-N 3.25Å; S1800-T1803 PolarHBondContact OG-OG1 3.2Å; S1800-Q1804 VanDerWaalsContact O-CB 3.27Å; S1800-Q1804 WeakPolarHBondContact O-CB 3.13Å; S1800-Q1804 PolarHBondContact O-N 2.83Å; S1800-R1851 VanDerWaalsContact CB-CZ 3.45Å; S1800-R1851 PolarHBondContact OG-NH1 3.04Å | ||
| 1801 | T | 85.9 | Confident | 90.6 | Very high | 100 Ų | 100 | 29.3 Ų | 29.3 | 61% | 0.613 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -56.4 | -49.3 | 178.5 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | C1805 | T1801-C1805 WeakPolarHBondContact O-CB 3.1Å; T1801-C1805 PolarHBondContact O-N 3.46Å; T1801-C1805 PolarHBondContact O-SG 3.25Å |
| 1802 | R | 88.5 | Confident | 90.3 | Very high | 84 Ų | 84 | 33.7 Ų | 33.7 | 32% | 0.317 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.7 | -48.7 | -175.5 | -70.9 | 164.7 | -61 | -64.7 | -9.4 | 112 | S1800 S1806 P2007 L2008 P2009 | S1800-R1802 PolarHBondContact O-N 3.31Å; R1802-S1806 VanDerWaalsContact O-CB 3.23Å; R1802-S1806 WeakPolarHBondContact O-CB 3.39Å; R1802-S1806 PolarHBondContact O-N 2.98Å; R1802-S1806 PolarHBondContact O-OG 3.44Å; R1802-P2007 PolarHBondContact NE-O 3.2Å; R1802-L2008 VanDerWaalsContact CZ-C 3.49Å; R1802-L2008 VanDerWaalsContact NE-CB 3.34Å; R1802-L2008 PolarHBondContact NE-O 3.01Å; R1802-L2008 PolarHBondContact NH2-O 3.19Å; R1802-P2009 VanDerWaalsContact NH2-CD 3.29Å |
| 1803 | T | 89.9 | Confident | 89.6 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | -177.4 | -45.6 | 0 | 0 | 0 | 0 | 111 | F1796 S1800 S1806 F1807 R1851 A1872 | F1796-T1803 HydrophobicContact CE1-CG2 4.16Å; F1796-T1803 HydrophobicContact CZ-CG2 3.96Å; S1800-T1803 WeakPolarHBondContact OG-CB 3.44Å; S1800-T1803 PolarHBondContact OG-N 3.25Å; S1800-T1803 PolarHBondContact OG-OG1 3.2Å; T1803-S1806 PolarHBondContact O-OG 3.1Å; T1803-S1806 VanDerWaalsContact O-OG 3.06Å; T1803-F1807 HydrophobicContact CG2-CD2 4.11Å; T1803-F1807 HydrophobicContact CG2-CE2 4.15Å; T1803-F1807 WeakPolarHBondContact O-CD2 3.28Å; T1803-F1807 PolarHBondContact O-N 2.89Å; T1803-R1851 PolarHBondContact OG1-NH1 2.88Å; T1803-A1872 HydrophobicContact CG2-CB 3.88Å |
| 1804 | Q | 91.5 | Very high | 89 | Confident | 55 Ų | 55 | 39.7 Ų | 39.7 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.5 | -49 | 179.6 | -171.4 | 177.5 | 29.3 | 0 | 0 | 111.7 | T1794 F1796 S1800 S1806 F1807 A1808 | T1794-Q1804 PolarHBondContact OG1-NE2 3.46Å; F1796-Q1804 HydrophobicContact CD1-CB 4.32Å; F1796-Q1804 HydrophobicContact CE1-CB 3.97Å; F1796-Q1804 HydrophobicContact CE2-CB 4.47Å; F1796-Q1804 HydrophobicContact CZ-CB 4.06Å; S1800-Q1804 VanDerWaalsContact O-CB 3.27Å; S1800-Q1804 WeakPolarHBondContact O-CB 3.13Å; S1800-Q1804 PolarHBondContact O-N 2.83Å; Q1804-S1806 PolarHBondContact O-N 3.41Å; Q1804-F1807 PolarHBondContact O-N 2.82Å; Q1804-A1808 WeakPolarHBondContact O-CB 3.38Å; Q1804-A1808 PolarHBondContact O-N 2.75Å |
| 1805 | C | 91.8 | Very high | 88.2 | Confident | 71 Ų | 71 | 41 Ų | 41 | 48% | 0.48 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -37.8 | -177.8 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | T1801 A1808 A1809 | T1801-C1805 WeakPolarHBondContact O-CB 3.1Å; T1801-C1805 PolarHBondContact O-N 3.46Å; T1801-C1805 PolarHBondContact O-SG 3.25Å; C1805-A1808 PolarHBondContact O-N 3.19Å; C1805-A1809 VanDerWaalsContact O-CB 3.25Å; C1805-A1809 WeakPolarHBondContact O-CB 3.27Å; C1805-A1809 PolarHBondContact O-N 2.56Å |
| 1806 | S | 93.1 | Very high | 88 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -36.3 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | R1802 T1803 Q1804 A1810 R2037 | R1802-S1806 VanDerWaalsContact O-CB 3.23Å; R1802-S1806 WeakPolarHBondContact O-CB 3.39Å; R1802-S1806 PolarHBondContact O-N 2.98Å; R1802-S1806 PolarHBondContact O-OG 3.44Å; T1803-S1806 PolarHBondContact O-OG 3.1Å; T1803-S1806 VanDerWaalsContact O-OG 3.06Å; Q1804-S1806 PolarHBondContact O-N 3.41Å; S1806-A1810 WeakPolarHBondContact O-CB 3.47Å; S1806-A1810 PolarHBondContact O-N 3.38Å; S1806-R2037 VanDerWaalsContact CB-NH1 3.34Å; S1806-R2037 WeakPolarHBondContact OG-CD 3.38Å; S1806-R2037 PolarHBondContact OG-NE 3.01Å; S1806-R2037 PolarHBondContact OG-NH1 3.38Å |
| 1807 | F | 95.5 | Very high | 88 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 169.2 | -92.1 | -67.6 | 0 | 0 | 0 | 110.9 | M1792 T1803 Q1804 A1810 M1811 V1849 I1870 A1872 T1881 R2037 L2041 | M1792-F1807 HydrophobicContact CE-CB 3.93Å; M1792-F1807 WeakPolarHBondContact CE-O 3.23Å; M1792-F1807 HydrophobicContact SD-CB 4.29Å; M1792-F1807 HydrophobicContact SD-CD1 4.2Å; T1803-F1807 HydrophobicContact CG2-CD2 4.11Å; T1803-F1807 HydrophobicContact CG2-CE2 4.15Å; T1803-F1807 WeakPolarHBondContact O-CD2 3.28Å; T1803-F1807 PolarHBondContact O-N 2.89Å; Q1804-F1807 PolarHBondContact O-N 2.82Å; F1807-A1810 PolarHBondContact O-N 3.22Å; F1807-M1811 PolarHBondContact O-N 3.42Å; F1807-V1849 HydrophobicContact CD1-CG1 4.36Å; F1807-V1849 HydrophobicContact CD1-CG2 3.85Å; F1807-V1849 HydrophobicContact CD2-CG1 3.58Å; F1807-V1849 HydrophobicContact CE1-CG1 4.45Å; F1807-V1849 HydrophobicContact CE1-CG2 4.08Å; F1807-V1849 HydrophobicContact CE2-CG1 3.69Å; F1807-V1849 HydrophobicContact CG-CG1 3.96Å; F1807-V1849 HydrophobicContact CG-CG2 4.11Å; F1807-V1849 HydrophobicContact CZ-CG1 4.14Å; F1807-I1870 HydrophobicContact CE1-CD1 4.2Å; F1807-I1870 HydrophobicContact CE1-CG2 4.14Å; F1807-I1870 HydrophobicContact CZ-CG2 3.68Å; F1807-A1872 HydrophobicContact CE2-CB 4.27Å; F1807-T1881 HydrophobicContact CE2-CG2 4.44Å; F1807-T1881 HydrophobicContact CZ-CG2 3.92Å; F1807-R2037 HydrophobicContact CD1-CB 4Å; F1807-R2037 HydrophobicContact CD1-CG 4.03Å; F1807-R2037 VanDerWaalsContact CD2-CD 3.49Å; F1807-R2037 HydrophobicContact CD2-CG 4.28Å; F1807-R2037 HydrophobicContact CE1-CB 3.91Å; F1807-R2037 HydrophobicContact CE1-CG 3.7Å; F1807-R2037 HydrophobicContact CE2-CG 3.98Å; F1807-R2037 VanDerWaalsContact CE2-NE 3.33Å; F1807-R2037 HydrophobicContact CG-CG 4.29Å; F1807-R2037 HydrophobicContact CZ-CB 4.39Å; F1807-R2037 HydrophobicContact CZ-CG 3.66Å; F1807-L2041 HydrophobicContact CD1-CD1 4.32Å |
| 1808 | A | 93.2 | Very high | 88.3 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q1804 C1805 M1811 Q1812 V1818 | Q1804-A1808 WeakPolarHBondContact O-CB 3.38Å; Q1804-A1808 PolarHBondContact O-N 2.75Å; C1805-A1808 PolarHBondContact O-N 3.19Å; A1808-M1811 PolarHBondContact O-N 2.82Å; A1808-Q1812 WeakPolarHBondContact O-CB 3.26Å; A1808-Q1812 VanDerWaalsContact O-CG 3.29Å; A1808-Q1812 WeakPolarHBondContact O-CG 3.34Å; A1808-Q1812 PolarHBondContact O-N 3.19Å; A1808-V1818 HydrophobicContact CB-CG1 4.04Å; A1808-V1818 HydrophobicContact CB-CG2 4.19Å |
| 1809 | A | 89.1 | Confident | 88.7 | Confident | 27 Ų | 27 | 45 Ų | 45 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | C1805 M1811 Q1812 H1813 M2034 | C1805-A1809 VanDerWaalsContact O-CB 3.25Å; C1805-A1809 WeakPolarHBondContact O-CB 3.27Å; C1805-A1809 PolarHBondContact O-N 2.56Å; A1809-M1811 PolarHBondContact O-N 3.16Å; A1809-Q1812 PolarHBondContact O-N 3.07Å; A1809-H1813 WeakPolarHBondContact O-CB 3.14Å; A1809-H1813 PolarHBondContact O-CD2 3.05Å; A1809-H1813 PolarHBondContact O-N 2.85Å; A1809-M2034 HydrophobicContact CB-CG 4.42Å; A1809-M2034 HydrophobicContact CB-SD 4.18Å |
| 1810 | A | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.8 | -48.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1806 F1807 Q1812 H1813 L1814 M2034 R2037 M2038 L2041 | S1806-A1810 WeakPolarHBondContact O-CB 3.47Å; S1806-A1810 PolarHBondContact O-N 3.38Å; F1807-A1810 PolarHBondContact O-N 3.22Å; A1810-Q1812 PolarHBondContact O-N 2.84Å; A1810-H1813 PolarHBondContact O-N 2.93Å; A1810-L1814 WeakPolarHBondContact O-CB 3.43Å; A1810-L1814 VanDerWaalsContact O-CG 3.23Å; A1810-L1814 WeakPolarHBondContact O-CG 3.2Å; A1810-L1814 PolarHBondContact O-N 3.14Å; A1810-M2034 HydrophobicContact CB-CG 4.35Å; A1810-R2037 HydrophobicContact CB-CB 3.97Å; A1810-M2038 HydrophobicContact CB-CB 4.31Å; A1810-M2038 HydrophobicContact CB-CG 3.44Å; A1810-M2038 VanDerWaalsContact CB-CG 3.44Å; A1810-L2041 HydrophobicContact CB-CD1 4.01Å |
| 1811 | M | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.5 | -169.7 | 70.7 | 176.4 | 0 | 0 | 111.7 | L1787 R1790 M1792 F1807 A1808 A1809 L1814 G1815 G1816 V1818 L2041 F2045 | L1787-M1811 HydrophobicContact CB-CE 4.32Å; L1787-M1811 HydrophobicContact CD1-CE 4.28Å; L1787-M1811 HydrophobicContact CD1-SD 3.68Å; R1790-M1811 HydrophobicContact CB-CE 3.56Å; R1790-M1811 VanDerWaalsContact O-CE 3.28Å; R1790-M1811 WeakPolarHBondContact O-CE 3.32Å; M1792-M1811 HydrophobicContact CB-CE 3.95Å; M1792-M1811 HydrophobicContact CB-CG 3.87Å; M1792-M1811 HydrophobicContact CB-SD 3.88Å; M1792-M1811 HydrophobicContact CE-CB 3.75Å; M1792-M1811 HydrophobicContact CE-CG 4.32Å; M1792-M1811 HydrophobicContact SD-CB 4.23Å; F1807-M1811 PolarHBondContact O-N 3.42Å; A1808-M1811 PolarHBondContact O-N 2.82Å; A1809-M1811 PolarHBondContact O-N 3.16Å; M1811-L1814 CarbonylContact O-C 3.6Å; M1811-L1814 PolarHBondContact O-N 2.94Å; M1811-G1815 PolarHBondContact O-N 3.33Å; M1811-G1816 WeakPolarHBondContact O-CA 3.21Å; M1811-G1816 PolarHBondContact O-N 2.84Å; M1811-V1818 HydrophobicContact CB-CG2 3.71Å; M1811-V1818 HydrophobicContact CG-CG2 3.94Å; M1811-L2041 HydrophobicContact CB-CD1 4.08Å; M1811-L2041 HydrophobicContact SD-CD1 4.13Å; M1811-L2041 HydrophobicContact SD-CD2 4.43Å; M1811-F2045 HydrophobicContact CE-CE2 4.38Å |
| 1812 | Q | 88 | Confident | 88.5 | Confident | 125 Ų | 125 | 44.1 Ų | 44.1 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 179.2 | -73.7 | 177.1 | -22.2 | 0 | 0 | 113.1 | A1808 A1809 A1810 L1814 G1815 V1818 | A1808-Q1812 WeakPolarHBondContact O-CB 3.26Å; A1808-Q1812 VanDerWaalsContact O-CG 3.29Å; A1808-Q1812 WeakPolarHBondContact O-CG 3.34Å; A1808-Q1812 PolarHBondContact O-N 3.19Å; A1809-Q1812 PolarHBondContact O-N 3.07Å; A1810-Q1812 PolarHBondContact O-N 2.84Å; Q1812-L1814 VanDerWaalsContact C-N 3.25Å; Q1812-L1814 PolarHBondContact O-N 3.33Å; Q1812-G1815 VanDerWaalsContact O-CA 3.31Å; Q1812-G1815 WeakPolarHBondContact O-CA 3.38Å; Q1812-G1815 PolarHBondContact O-N 2.92Å; Q1812-V1818 HydrophobicContact CG-CG2 4.2Å |
| 1813 | H | 79.8 | Confident | 87.6 | Confident | 120 Ų | 120 | 41.5 Ų | 41.5 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.9 | -31.8 | 173.9 | -81.4 | -65.5 | 0 | 0 | 0 | 111.8 | A1809 A1810 G1815 M2034 M2038 | A1809-H1813 WeakPolarHBondContact O-CB 3.14Å; A1809-H1813 PolarHBondContact O-CD2 3.05Å; A1809-H1813 PolarHBondContact O-N 2.85Å; A1810-H1813 PolarHBondContact O-N 2.93Å; H1813-G1815 PolarHBondContact O-N 2.98Å; H1813-M2034 VanDerWaalsContact CD2-SD 3.52Å; H1813-M2038 HydrophobicContact CB-CE 3.9Å; H1813-M2038 HydrophobicContact CB-SD 4.15Å |
| 1814 | L | 83.2 | Confident | 86.6 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.1 | 169.9 | -63 | 172.2 | 0 | 0 | 0 | 112.8 | S1785 I1786 L1787 A1810 M1811 Q1812 M2038 L2041 | S1785-L1814 CarbonylContact C-O 3.5Å; S1785-L1814 WeakPolarHBondContact CA-O 3.42Å; S1785-L1814 PolarHBondContact OG-O 2.91Å; I1786-L1814 HydrophobicContact CB-CD2 4.27Å; I1786-L1814 HydrophobicContact CD1-CD2 3.85Å; I1786-L1814 HydrophobicContact CG1-CD2 4.27Å; I1786-L1814 PolarHBondContact N-O 3.21Å; L1787-L1814 HydrophobicContact CB-CB 4.07Å; L1787-L1814 HydrophobicContact CD1-CB 3.87Å; L1787-L1814 HydrophobicContact CD1-CD1 3.59Å; L1787-L1814 HydrophobicContact CD1-CG 4.38Å; L1787-L1814 HydrophobicContact CG-CB 3.89Å; L1787-L1814 HydrophobicContact CG-CD1 4.24Å; L1787-L1814 PolarHBondContact N-O 2.89Å; A1810-L1814 WeakPolarHBondContact O-CB 3.43Å; A1810-L1814 VanDerWaalsContact O-CG 3.23Å; A1810-L1814 WeakPolarHBondContact O-CG 3.2Å; A1810-L1814 PolarHBondContact O-N 3.14Å; M1811-L1814 CarbonylContact O-C 3.6Å; M1811-L1814 PolarHBondContact O-N 2.94Å; Q1812-L1814 VanDerWaalsContact C-N 3.25Å; Q1812-L1814 PolarHBondContact O-N 3.33Å; L1814-M2038 HydrophobicContact CD1-CB 3.99Å; L1814-M2038 HydrophobicContact CD1-CG 4.26Å; L1814-M2038 WeakPolarHBondContact CD1-O 3.44Å; L1814-M2038 HydrophobicContact CD2-CB 4.45Å; L1814-M2038 HydrophobicContact CD2-CE 3.81Å; L1814-M2038 HydrophobicContact CG-CB 4.3Å; L1814-M2038 HydrophobicContact CG-CE 4.07Å; L1814-M2038 HydrophobicContact CG-CG 4.24Å; L1814-L2041 HydrophobicContact CD1-CB 4.04Å |
| 1815 | G | 77.2 | Confident | 85.6 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 13.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S1785 M1811 Q1812 H1813 | S1785-G1815 VanDerWaalsContact OG-CA 3.24Å; S1785-G1815 WeakPolarHBondContact OG-CA 3.46Å; M1811-G1815 PolarHBondContact O-N 3.33Å; Q1812-G1815 VanDerWaalsContact O-CA 3.31Å; Q1812-G1815 WeakPolarHBondContact O-CA 3.38Å; Q1812-G1815 PolarHBondContact O-N 2.92Å; H1813-G1815 PolarHBondContact O-N 2.98Å |
| 1816 | G | 86.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | trans | -78.3 | 169.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1787 R1790 M1811 | L1787-G1816 VanDerWaalsContact O-CA 3.24Å; L1787-G1816 WeakPolarHBondContact O-CA 3.44Å; L1787-G1816 PolarHBondContact O-N 3.33Å; R1790-G1816 CarbonylContact O-C 3.47Å; R1790-G1816 WeakPolarHBondContact O-CA 3.49Å; M1811-G1816 WeakPolarHBondContact O-CA 3.21Å; M1811-G1816 PolarHBondContact O-N 2.84Å | ||
| 1817 | S | 92.2 | Very high | 84.2 | Confident | 68 Ų | 68 | 46 Ų | 46 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 154.7 | 176.8 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | R1790 V1791 M1792 | R1790-S1817 PolarHBondContact O-N 3.49Å; V1791-S1817 WeakPolarHBondContact CA-O 3.24Å; M1792-S1817 PolarHBondContact N-O 3.37Å |
| 1818 | V | 93.9 | Very high | 83.3 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.7 | -174.7 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | M1792 T1794 A1808 M1811 Q1812 | M1792-V1818 HydrophobicContact CE-CB 4.41Å; M1792-V1818 HydrophobicContact CE-CG1 3.81Å; M1792-V1818 HydrophobicContact CE-CG2 3.81Å; M1792-V1818 CarbonylContact O-C 3.51Å; M1792-V1818 VanDerWaalsContact O-CA 3.3Å; M1792-V1818 WeakPolarHBondContact O-CA 3.35Å; T1794-V1818 HydrophobicContact CG2-CG1 4.22Å; A1808-V1818 HydrophobicContact CB-CG1 4.04Å; A1808-V1818 HydrophobicContact CB-CG2 4.19Å; M1811-V1818 HydrophobicContact CB-CG2 3.71Å; M1811-V1818 HydrophobicContact CG-CG2 3.94Å; Q1812-V1818 HydrophobicContact CG-CG2 4.2Å |
| 1819 | I | 91.5 | Very high | 82.3 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 102.7 | 172.4 | -58.7 | 178.5 | 0 | 0 | 0 | 108.5 | V1791 M1792 T1793 T1794 V1821 | V1791-I1819 HydrophobicContact CG1-CD1 3.5Å; V1791-I1819 HydrophobicContact CG1-CG1 3.76Å; M1792-I1819 PolarHBondContact O-N 3.27Å; T1793-I1819 CarbonylContact C-O 3.46Å; T1793-I1819 VanDerWaalsContact CA-O 3.27Å; T1793-I1819 WeakPolarHBondContact CA-O 3.34Å; T1794-I1819 PolarHBondContact N-O 2.95Å; I1819-V1821 HydrophobicContact CG2-CG2 4.39Å |
| 1820 | P | 88.9 | Confident | 82 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.4 | 175.3 | 30.8 | -31.8 | 0 | 0 | 0 | 111.4 | T1794 | T1794-P1820 WeakPolarHBondContact OG1-CA 3.33Å |
| 1821 | V | 85.3 | Confident | 81.4 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | T1793 T1794 L1795 F1796 I1819 L1841 | T1793-V1821 HydrophobicContact CG2-CB 4.46Å; T1793-V1821 HydrophobicContact CG2-CG2 3.68Å; T1794-V1821 PolarHBondContact O-N 2.91Å; L1795-V1821 HydrophobicContact CD1-CB 3.89Å; L1795-V1821 HydrophobicContact CD1-CG1 3.55Å; F1796-V1821 PolarHBondContact N-O 2.84Å; I1819-V1821 HydrophobicContact CG2-CG2 4.39Å; V1821-L1841 HydrophobicContact CG1-CD1 4.38Å; V1821-L1841 HydrophobicContact CG2-CD1 4.19Å; V1821-L1841 HydrophobicContact CG2-CD2 4.04Å |
| 1822 | N | 76.1 | Confident | 81.2 | Confident | 82 Ų | 82 | 67.6 Ų | 67.6 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.6 | 176.2 | -172 | -15.5 | 0 | 0 | 0 | 110 | S1824 S1825 S1826 | N1822-S1824 VanDerWaalsContact CG-OG 3.27Å; N1822-S1824 PolarHBondContact ND2-OG 3.06Å; N1822-S1824 PolarHBondContact O-N 3.18Å; N1822-S1824 PolarHBondContact OD1-N 3.15Å; N1822-S1824 VanDerWaalsContact OD1-N 3.15Å; N1822-S1824 PolarHBondContact OD1-OG 3.05Å; N1822-S1825 PolarHBondContact O-N 3.3Å; N1822-S1825 VanDerWaalsContact O-N 3.15Å; N1822-S1825 PolarHBondContact O-OG 3.16Å; N1822-S1826 WeakPolarHBondContact O-CB 3.49Å; N1822-S1826 PolarHBondContact O-N 3.19Å |
| 1823 | S | 69.6 | Low | 81.3 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -56.5 | -34.3 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | S1825 S1826 | S1823-S1825 PolarHBondContact O-N 3.12Å; S1823-S1826 WeakPolarHBondContact CA-OG 3.22Å; S1823-S1826 PolarHBondContact O-N 2.96Å; S1823-S1826 PolarHBondContact O-OG 3.42Å |
| 1824 | S | 69.8 | Low | 81.8 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -68.7 | -15 | -179 | 66.4 | 0 | 0 | 0 | 0 | 115 | N1822 Q1829 | N1822-S1824 VanDerWaalsContact CG-OG 3.27Å; N1822-S1824 PolarHBondContact ND2-OG 3.06Å; N1822-S1824 PolarHBondContact O-N 3.18Å; N1822-S1824 PolarHBondContact OD1-N 3.15Å; N1822-S1824 VanDerWaalsContact OD1-N 3.15Å; N1822-S1824 PolarHBondContact OD1-OG 3.05Å; S1824-Q1829 PolarHBondContact O-NE2 3.45Å |
| 1825 | S | 68.8 | Low | 82.2 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 70% | 0.699 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -121.6 | 7.6 | 179.7 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | N1822 S1823 | N1822-S1825 PolarHBondContact O-N 3.3Å; N1822-S1825 VanDerWaalsContact O-N 3.15Å; N1822-S1825 PolarHBondContact O-OG 3.16Å; S1823-S1825 PolarHBondContact O-N 3.12Å |
| 1826 | S | 75.1 | Confident | 82.8 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -100.1 | 167.3 | -177 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | N1822 S1823 V1828 Q1829 | N1822-S1826 WeakPolarHBondContact O-CB 3.49Å; N1822-S1826 PolarHBondContact O-N 3.19Å; S1823-S1826 WeakPolarHBondContact CA-OG 3.22Å; S1823-S1826 PolarHBondContact O-N 2.96Å; S1823-S1826 PolarHBondContact O-OG 3.42Å; S1826-V1828 PolarHBondContact O-N 3.46Å; S1826-V1828 VanDerWaalsContact OG-CB 3.3Å; S1826-V1828 WeakPolarHBondContact OG-CB 3.5Å; S1826-V1828 WeakPolarHBondContact OG-CG2 3.16Å; S1826-V1828 PolarHBondContact OG-N 3.4Å; S1826-Q1829 PolarHBondContact O-N 3.38Å; S1826-Q1829 VanDerWaalsContact O-N 3.1Å |
| 1827 | S | 80.6 | Confident | 83 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -59.4 | -12 | 175.1 | -65.5 | 0 | 0 | 0 | 0 | 113.9 | Q1829 K1830 G1831 E1832 | S1827-Q1829 PolarHBondContact O-N 3.24Å; S1827-K1830 WeakPolarHBondContact O-CA 3.32Å; S1827-K1830 WeakPolarHBondContact O-CB 3.43Å; S1827-K1830 PolarHBondContact O-N 3.47Å; S1827-G1831 PolarHBondContact O-N 2.99Å; S1827-E1832 WeakPolarHBondContact CB-OE1 3.47Å; S1827-E1832 WeakPolarHBondContact CB-OE2 2.81Å; S1827-E1832 WeakPolarHBondContact O-CB 3.38Å; S1827-E1832 PolarHBondContact O-N 2.92Å |
| 1828 | V | 76.7 | Confident | 83 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -52.5 | -36.8 | 169 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | Y1797 S1826 K1830 G1831 | Y1797-V1828 HydrophobicContact CD1-CG1 4.22Å; Y1797-V1828 HydrophobicContact CE1-CB 4.16Å; Y1797-V1828 HydrophobicContact CE1-CG1 3.58Å; Y1797-V1828 HydrophobicContact CE1-CG2 3.51Å; Y1797-V1828 WeakPolarHBondContact OH-CG2 3.47Å; S1826-V1828 PolarHBondContact O-N 3.46Å; S1826-V1828 VanDerWaalsContact OG-CB 3.3Å; S1826-V1828 WeakPolarHBondContact OG-CB 3.5Å; S1826-V1828 WeakPolarHBondContact OG-CG2 3.16Å; S1826-V1828 PolarHBondContact OG-N 3.4Å; V1828-K1830 PolarHBondContact O-N 3.32Å; V1828-G1831 WeakPolarHBondContact O-CA 3.41Å; V1828-G1831 PolarHBondContact O-N 3.13Å |
| 1829 | Q | 73.1 | Confident | 82.9 | Confident | 147 Ų | 147 | 61.9 Ų | 61.9 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.3 | -21.8 | 176.2 | -72.4 | -154.1 | -19.8 | 0 | 0 | 113.6 | S1824 S1826 S1827 G1831 | S1824-Q1829 PolarHBondContact O-NE2 3.45Å; S1826-Q1829 PolarHBondContact O-N 3.38Å; S1826-Q1829 VanDerWaalsContact O-N 3.1Å; S1827-Q1829 PolarHBondContact O-N 3.24Å; Q1829-G1831 VanDerWaalsContact C-N 3.27Å |
| 1830 | K | 81.5 | Confident | 82.9 | Confident | 189 Ų | 189 | 61.5 Ų | 61.5 | 82% | 0.822 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -87.7 | 3.6 | 173.3 | -58.4 | 177 | -179.6 | 173.2 | 0 | 112.3 | S1827 V1828 | S1827-K1830 WeakPolarHBondContact O-CA 3.32Å; S1827-K1830 WeakPolarHBondContact O-CB 3.43Å; S1827-K1830 PolarHBondContact O-N 3.47Å; V1828-K1830 PolarHBondContact O-N 3.32Å |
| 1831 | G | 79.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 68% | 0.68 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 20.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1827 V1828 Q1829 | S1827-G1831 PolarHBondContact O-N 2.99Å; V1828-G1831 WeakPolarHBondContact O-CA 3.41Å; V1828-G1831 PolarHBondContact O-N 3.13Å; Q1829-G1831 VanDerWaalsContact C-N 3.27Å |
| 1832 | E | 87.4 | Confident | 83.2 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | trans | -62.1 | 138.1 | 173.3 | -170.6 | 175.3 | -98 | 0 | 0 | 111 | S1827 D1836 T1837 | S1827-E1832 WeakPolarHBondContact CB-OE1 3.47Å; S1827-E1832 WeakPolarHBondContact CB-OE2 2.81Å; S1827-E1832 WeakPolarHBondContact O-CB 3.38Å; S1827-E1832 PolarHBondContact O-N 2.92Å; E1832-D1836 HydrophobicContact CG-CB 3.83Å; E1832-T1837 WeakPolarHBondContact OE2-CA 2.93Å; E1832-T1837 WeakPolarHBondContact OE2-CB 3.48Å; E1832-T1837 PolarHBondContact OE2-OG1 3.03Å | ||
| 1833 | S | 90 | Very high | 83.9 | Confident | 44 Ų | 44 | 62 Ų | 62 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | trans | -73.3 | 154.3 | 178.8 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | E1835 D1836 T1837 | S1833-E1835 VanDerWaalsContact C-N 3.26Å; S1833-E1835 PolarHBondContact O-N 2.94Å; S1833-D1836 PolarHBondContact O-N 3.3Å; S1833-D1836 WeakPolarHBondContact OG-CB 3.43Å; S1833-D1836 PolarHBondContact OG-N 2.89Å; S1833-D1836 VanDerWaalsContact OG-N 3.13Å; S1833-D1836 PolarHBondContact OG-OD2 3.44Å; S1833-T1837 PolarHBondContact O-N 3.01Å; S1833-T1837 PolarHBondContact O-OG1 3.4Å | ||
| 1834 | L | 90.5 | Very high | 84.9 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 176.1 | 174.7 | 64.3 | 0 | 0 | 0 | 111.3 | L1795 Y1797 T1837 V1838 L1850 A1857 | L1795-L1834 HydrophobicContact CD2-CD1 4.45Å; Y1797-L1834 HydrophobicContact CE2-CD1 3.82Å; L1834-T1837 PolarHBondContact O-N 3.41Å; L1834-V1838 HydrophobicContact CD1-CG2 3.88Å; L1834-V1838 HydrophobicContact CG-CG2 4.3Å; L1834-V1838 WeakPolarHBondContact O-CB 3.38Å; L1834-V1838 WeakPolarHBondContact O-CG2 3.2Å; L1834-V1838 PolarHBondContact O-N 3.44Å; L1834-L1850 HydrophobicContact CD1-CD1 4.21Å; L1834-L1850 HydrophobicContact CD1-CD2 4.32Å; L1834-A1857 HydrophobicContact CD2-CB 3.85Å |
| 1835 | E | 92.6 | Very high | 86.1 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 178.3 | -72.1 | 81.6 | 175.6 | 0 | 0 | 112 | S1833 T1839 R1860 S1864 | S1833-E1835 VanDerWaalsContact C-N 3.26Å; S1833-E1835 PolarHBondContact O-N 2.94Å; E1835-T1839 VanDerWaalsContact O-CB 3.31Å; E1835-T1839 WeakPolarHBondContact O-CB 3.28Å; E1835-T1839 PolarHBondContact O-N 3.04Å; E1835-T1839 PolarHBondContact O-OG1 2.99Å; E1835-R1860 IonicContact OE1-CZ 3.39Å; E1835-R1860 IonicContact OE1-NE 3.38Å; E1835-R1860 IonicContact OE1-NH1 2.93Å; E1835-R1860 PolarHBondContact OE1-NH1 2.84Å; E1835-R1860 IonicContact OE2-NH1 3.8Å; E1835-R1860 PolarHBondContact OE2-NH1 3.41Å; E1835-S1864 WeakPolarHBondContact CG-OG 3.38Å |
| 1836 | D | 89.6 | Confident | 87.2 | Confident | 91 Ų | 91 | 63 Ų | 63 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.3 | -47 | 177.7 | -65.8 | -38.3 | 0 | 0 | 0 | 111 | E1832 S1833 V1838 T1839 V1840 | E1832-D1836 HydrophobicContact CG-CB 3.83Å; S1833-D1836 PolarHBondContact O-N 3.3Å; S1833-D1836 WeakPolarHBondContact OG-CB 3.43Å; S1833-D1836 PolarHBondContact OG-N 2.89Å; S1833-D1836 VanDerWaalsContact OG-N 3.13Å; S1833-D1836 PolarHBondContact OG-OD2 3.44Å; D1836-V1838 VanDerWaalsContact C-N 3.32Å; D1836-V1838 PolarHBondContact O-N 3.41Å; D1836-T1839 PolarHBondContact O-N 3.09Å; D1836-V1840 WeakPolarHBondContact O-CG2 3.39Å; D1836-V1840 PolarHBondContact O-N 2.76Å |
| 1837 | T | 91 | Very high | 88.2 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | L1795 E1832 S1833 L1834 V1840 L1841 | L1795-T1837 HydrophobicContact CD1-CG2 4.29Å; L1795-T1837 HydrophobicContact CD2-CG2 4.02Å; E1832-T1837 WeakPolarHBondContact OE2-CA 2.93Å; E1832-T1837 WeakPolarHBondContact OE2-CB 3.48Å; E1832-T1837 PolarHBondContact OE2-OG1 3.03Å; S1833-T1837 PolarHBondContact O-N 3.01Å; S1833-T1837 PolarHBondContact O-OG1 3.4Å; L1834-T1837 PolarHBondContact O-N 3.41Å; T1837-V1840 PolarHBondContact O-N 2.81Å; T1837-L1841 HydrophobicContact CG2-CD1 3.78Å; T1837-L1841 HydrophobicContact CG2-CG 4.37Å; T1837-L1841 WeakPolarHBondContact O-CB 3.39Å; T1837-L1841 VanDerWaalsContact O-CG 3.29Å; T1837-L1841 WeakPolarHBondContact O-CG 3.35Å; T1837-L1841 PolarHBondContact O-N 3.36Å |
| 1838 | V | 92.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 179.1 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L1795 L1834 D1836 V1840 L1841 S1842 L1848 A1861 | L1795-V1838 HydrophobicContact CD2-CG2 4.2Å; L1834-V1838 HydrophobicContact CD1-CG2 3.88Å; L1834-V1838 HydrophobicContact CG-CG2 4.3Å; L1834-V1838 WeakPolarHBondContact O-CB 3.38Å; L1834-V1838 WeakPolarHBondContact O-CG2 3.2Å; L1834-V1838 PolarHBondContact O-N 3.44Å; D1836-V1838 VanDerWaalsContact C-N 3.32Å; D1836-V1838 PolarHBondContact O-N 3.41Å; V1838-V1840 VanDerWaalsContact C-N 3.28Å; V1838-V1840 PolarHBondContact O-N 3.36Å; V1838-L1841 PolarHBondContact O-N 3.39Å; V1838-S1842 VanDerWaalsContact O-CB 3.26Å; V1838-S1842 WeakPolarHBondContact O-CB 3.21Å; V1838-S1842 PolarHBondContact O-N 3.45Å; V1838-S1842 PolarHBondContact O-OG 3.48Å; V1838-L1848 HydrophobicContact CG1-CD1 4.1Å; V1838-A1861 HydrophobicContact CB-CB 4.49Å; V1838-A1861 HydrophobicContact CG1-CB 4.19Å; V1838-A1861 WeakPolarHBondContact CG1-O 3.45Å; V1838-A1861 HydrophobicContact CG2-CB 3.75Å |
| 1839 | T | 90.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | E1835 D1836 S1842 S1864 | E1835-T1839 VanDerWaalsContact O-CB 3.31Å; E1835-T1839 WeakPolarHBondContact O-CB 3.28Å; E1835-T1839 PolarHBondContact O-N 3.04Å; E1835-T1839 PolarHBondContact O-OG1 2.99Å; D1836-T1839 PolarHBondContact O-N 3.09Å; T1839-S1842 PolarHBondContact O-OG 3.25Å; T1839-S1864 PolarHBondContact OG1-O 3.29Å |
| 1840 | V | 90.3 | Very high | 90.8 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 39% | 0.394 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.3 | -52.5 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | D1836 T1837 V1838 S1842 R1843 Y1844 | D1836-V1840 WeakPolarHBondContact O-CG2 3.39Å; D1836-V1840 PolarHBondContact O-N 2.76Å; T1837-V1840 PolarHBondContact O-N 2.81Å; V1838-V1840 VanDerWaalsContact C-N 3.28Å; V1838-V1840 PolarHBondContact O-N 3.36Å; V1840-S1842 VanDerWaalsContact C-N 3.31Å; V1840-S1842 PolarHBondContact O-N 3.49Å; V1840-R1843 WeakPolarHBondContact O-CB 3.48Å; V1840-R1843 PolarHBondContact O-N 2.95Å; V1840-R1843 VanDerWaalsContact O-N 3.08Å; V1840-Y1844 HydrophobicContact CG1-CD2 4.48Å; V1840-Y1844 HydrophobicContact CG1-CE2 3.68Å |
| 1841 | L | 90.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -31.8 | -174.8 | -68.1 | 174.5 | 0 | 0 | 0 | 113.1 | T1793 L1795 V1821 T1837 V1838 R1843 Y1844 C1845 L1848 | T1793-L1841 HydrophobicContact CG2-CD1 4.16Å; T1793-L1841 HydrophobicContact CG2-CD2 4.4Å; L1795-L1841 HydrophobicContact CD1-CD1 4.01Å; L1795-L1841 HydrophobicContact CD2-CD1 3.94Å; L1795-L1841 HydrophobicContact CG-CD1 4.4Å; V1821-L1841 HydrophobicContact CG1-CD1 4.38Å; V1821-L1841 HydrophobicContact CG2-CD1 4.19Å; V1821-L1841 HydrophobicContact CG2-CD2 4.04Å; T1837-L1841 HydrophobicContact CG2-CD1 3.78Å; T1837-L1841 HydrophobicContact CG2-CG 4.37Å; T1837-L1841 WeakPolarHBondContact O-CB 3.39Å; T1837-L1841 VanDerWaalsContact O-CG 3.29Å; T1837-L1841 WeakPolarHBondContact O-CG 3.35Å; T1837-L1841 PolarHBondContact O-N 3.36Å; V1838-L1841 PolarHBondContact O-N 3.39Å; L1841-R1843 PolarHBondContact O-N 3.01Å; L1841-Y1844 HydrophobicContact CD2-CD2 4.33Å; L1841-Y1844 PolarHBondContact O-N 2.84Å; L1841-C1845 PolarHBondContact O-N 3.45Å; L1841-C1845 PolarHBondContact O-SG 2.77Å; L1841-L1848 HydrophobicContact CB-CD2 3.96Å; L1841-L1848 HydrophobicContact CD1-CD2 4.48Å |
| 1842 | S | 91.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.8 | 175 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | V1838 T1839 V1840 S1865 A1866 V1867 | V1838-S1842 VanDerWaalsContact O-CB 3.26Å; V1838-S1842 WeakPolarHBondContact O-CB 3.21Å; V1838-S1842 PolarHBondContact O-N 3.45Å; V1838-S1842 PolarHBondContact O-OG 3.48Å; T1839-S1842 PolarHBondContact O-OG 3.25Å; V1840-S1842 VanDerWaalsContact C-N 3.31Å; V1840-S1842 PolarHBondContact O-N 3.49Å; S1842-S1865 WeakPolarHBondContact CB-OG 3.33Å; S1842-A1866 PolarHBondContact OG-N 2.76Å; S1842-V1867 WeakPolarHBondContact O-CG1 3.25Å |
| 1843 | R | 90.5 | Very high | 91.9 | Very high | 177 Ų | 177 | 43.7 Ų | 43.7 | 67% | 0.668 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.1 | 172 | -54.8 | -61.5 | -179.6 | -169.7 | -2.1 | 113.8 | V1840 L1841 | V1840-R1843 WeakPolarHBondContact O-CB 3.48Å; V1840-R1843 PolarHBondContact O-N 2.95Å; V1840-R1843 VanDerWaalsContact O-N 3.08Å; L1841-R1843 PolarHBondContact O-N 3.01Å |
| 1844 | Y | 91 | Very high | 91.9 | Very high | 157 Ų | 157 | 45.5 Ų | 45.5 | 62% | 0.616 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -6.1 | -175.7 | -57.5 | -32.7 | 0 | 0 | 0 | 114.1 | V1840 L1841 | V1840-Y1844 HydrophobicContact CG1-CD2 4.48Å; V1840-Y1844 HydrophobicContact CG1-CE2 3.68Å; L1841-Y1844 HydrophobicContact CD2-CD2 4.33Å; L1841-Y1844 PolarHBondContact O-N 2.84Å |
| 1845 | C | 93.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | trans | -143.9 | 161 | -177.2 | 62 | 0 | 0 | 0 | 0 | 110.7 | V1791 T1793 L1841 V1867 | V1791-C1845 HydrophobicContact CB-CB 4.43Å; V1791-C1845 HydrophobicContact CG1-CB 4.1Å; V1791-C1845 WeakPolarHBondContact O-CB 3.48Å; T1793-C1845 VanDerWaalsContact CB-SG 3.54Å; T1793-C1845 WeakPolarHBondContact OG1-CB 3.18Å; T1793-C1845 PolarHBondContact OG1-SG 3.43Å; L1841-C1845 PolarHBondContact O-N 3.45Å; L1841-C1845 PolarHBondContact O-SG 2.77Å; C1845-V1867 WeakPolarHBondContact O-CG1 3.41Å | ||
| 1846 | D | 93.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 49 Ų | 49 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -89.3 | -18.1 | 179 | -55.6 | -96.7 | 0 | 0 | 0 | 112.2 | R1790 V1791 V1867 F2045 | R1790-D1846 WeakPolarHBondContact CA-OD2 3.43Å; R1790-D1846 IonicContact NH1-OD1 2.8Å; R1790-D1846 PolarHBondContact NH1-OD1 3.27Å; R1790-D1846 VanDerWaalsContact NH1-OD1 3.11Å; V1791-D1846 PolarHBondContact N-OD2 2.85Å; V1791-D1846 PolarHBondContact O-N 2.86Å; D1846-V1867 WeakPolarHBondContact O-CB 3.39Å; D1846-F2045 HydrophobicContact CB-CE1 3.64Å; D1846-F2045 HydrophobicContact CB-CZ 3.66Å |
| 1847 | V | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142.6 | 177.1 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | M1792 T1793 P1868 I1870 L2041 V2044 F2045 | M1792-V1847 WeakPolarHBondContact CA-O 3.16Å; M1792-V1847 HydrophobicContact CB-CG1 3.7Å; M1792-V1847 HydrophobicContact CG-CG1 3.81Å; T1793-V1847 PolarHBondContact N-O 3.12Å; V1847-P1868 HydrophobicContact CG2-CB 4.31Å; V1847-I1870 HydrophobicContact CG2-CD1 3.98Å; V1847-I1870 HydrophobicContact CG2-CG1 4.17Å; V1847-L2041 HydrophobicContact CG1-CD2 4.1Å; V1847-V2044 HydrophobicContact CG2-CG1 4.42Å; V1847-F2045 HydrophobicContact CB-CE2 4.28Å; V1847-F2045 HydrophobicContact CB-CZ 3.86Å; V1847-F2045 HydrophobicContact CG1-CE2 3.82Å; V1847-F2045 HydrophobicContact CG1-CZ 3.68Å |
| 1848 | L | 95.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130 | 178.2 | -82.3 | 162.8 | 0 | 0 | 0 | 111.2 | T1793 V1838 L1841 V1867 P1868 V1869 I1870 | T1793-L1848 HydrophobicContact CG2-CD2 3.78Å; V1838-L1848 HydrophobicContact CG1-CD1 4.1Å; L1841-L1848 HydrophobicContact CB-CD2 3.96Å; L1841-L1848 HydrophobicContact CD1-CD2 4.48Å; L1848-V1867 HydrophobicContact CD1-CG2 4.05Å; L1848-V1867 HydrophobicContact CG-CG2 4.19Å; L1848-P1868 PolarHBondContact N-O 3.42Å; L1848-V1869 HydrophobicContact CB-CG2 4.21Å; L1848-V1869 CarbonylContact O-C 3.47Å; L1848-V1869 WeakPolarHBondContact O-CA 3.5Å; L1848-I1870 PolarHBondContact O-N 3.18Å |
| 1849 | V | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.5 | 170.6 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | M1792 T1793 T1794 L1795 F1796 F1807 I1870 A1872 | M1792-V1849 HydrophobicContact CG-CG2 3.94Å; M1792-V1849 HydrophobicContact SD-CG2 3.54Å; M1792-V1849 VanDerWaalsContact SD-CG2 3.54Å; T1793-V1849 PolarHBondContact O-N 3.47Å; T1794-V1849 HydrophobicContact CG2-CB 4.21Å; L1795-V1849 PolarHBondContact N-O 3.38Å; F1796-V1849 HydrophobicContact CE2-CG1 4Å; F1796-V1849 HydrophobicContact CZ-CG1 4.38Å; F1807-V1849 HydrophobicContact CD1-CG1 4.36Å; F1807-V1849 HydrophobicContact CD1-CG2 3.85Å; F1807-V1849 HydrophobicContact CD2-CG1 3.58Å; F1807-V1849 HydrophobicContact CE1-CG1 4.45Å; F1807-V1849 HydrophobicContact CE1-CG2 4.08Å; F1807-V1849 HydrophobicContact CE2-CG1 3.69Å; F1807-V1849 HydrophobicContact CG-CG1 3.96Å; F1807-V1849 HydrophobicContact CG-CG2 4.11Å; F1807-V1849 HydrophobicContact CZ-CG1 4.14Å; V1849-I1870 HydrophobicContact CG2-CB 4.29Å; V1849-I1870 HydrophobicContact CG2-CD1 4.4Å; V1849-A1872 HydrophobicContact CG1-CB 3.64Å |
| 1850 | L | 94.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.8 | -171.8 | 173.9 | 61.3 | 0 | 0 | 0 | 112.1 | L1795 Y1797 L1834 H1852 A1861 V1869 I1870 A1872 | L1795-L1850 HydrophobicContact CB-CD1 4.23Å; L1795-L1850 HydrophobicContact CD2-CD1 3.95Å; L1795-L1850 HydrophobicContact CG-CD1 4Å; L1795-L1850 WeakPolarHBondContact O-CA 3.38Å; L1795-L1850 WeakPolarHBondContact O-CD1 3.43Å; Y1797-L1850 HydrophobicContact CD2-CD1 4.19Å; Y1797-L1850 HydrophobicContact CE2-CD1 4.13Å; L1834-L1850 HydrophobicContact CD1-CD1 4.21Å; L1834-L1850 HydrophobicContact CD1-CD2 4.32Å; L1850-H1852 HydrophobicContact CD1-CB 4.48Å; L1850-A1861 HydrophobicContact CD2-CB 3.25Å; L1850-V1869 HydrophobicContact CB-CG1 4.06Å; L1850-V1869 HydrophobicContact CD2-CG1 4.46Å; L1850-I1870 PolarHBondContact N-O 2.84Å; L1850-A1872 WeakPolarHBondContact O-CA 3.3Å; L1850-A1872 WeakPolarHBondContact O-CB 3.19Å; L1850-A1872 PolarHBondContact O-N 3.44Å |
| 1851 | R | 92.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.7 | 166.4 | -171.9 | 176.4 | 179.8 | 133.3 | -8 | 110.8 | L1795 F1796 Y1797 S1800 T1803 A1872 G1873 H1879 | L1795-R1851 PolarHBondContact O-N 3.07Å; F1796-R1851 HydrophobicContact CD1-CB 3.72Å; F1796-R1851 HydrophobicContact CD1-CG 4.27Å; F1796-R1851 HydrophobicContact CD2-CB 4.22Å; F1796-R1851 HydrophobicContact CE1-CB 3.87Å; F1796-R1851 HydrophobicContact CE1-CG 4.39Å; F1796-R1851 HydrophobicContact CE2-CB 4.35Å; F1796-R1851 HydrophobicContact CG-CB 3.89Å; F1796-R1851 HydrophobicContact CZ-CB 4.18Å; Y1797-R1851 PolarHBondContact N-O 3.07Å; S1800-R1851 VanDerWaalsContact CB-CZ 3.45Å; S1800-R1851 PolarHBondContact OG-NH1 3.04Å; T1803-R1851 PolarHBondContact OG1-NH1 2.88Å; R1851-A1872 HydrophobicContact CB-CB 4.19Å; R1851-A1872 PolarHBondContact NH1-O 3.01Å; R1851-G1873 CarbonylContact C-O 3.52Å; R1851-G1873 VanDerWaalsContact CA-O 3.3Å; R1851-G1873 WeakPolarHBondContact CA-O 3.28Å; R1851-G1873 WeakPolarHBondContact CG-O 3.06Å; R1851-H1879 PolarHBondContact NH1-NE2 3.11Å |
| 1852 | H | 92.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.2 | -172.8 | -155.7 | -91.2 | 0 | 0 | 0 | 112.7 | Y1797 E1798 L1850 E1854 A1857 G1873 D1874 G1875 | Y1797-H1852 AromaticContact CD1-CD2 3.95Å; Y1797-H1852 AromaticContact CD1-NE2 3.85Å; Y1797-H1852 AromaticContact CD2-CD2 3.36Å; Y1797-H1852 WeakPolarHBondContact CD2-CD2 3.32Å; Y1797-H1852 AromaticContact CE1-NE2 3.95Å; Y1797-H1852 AromaticContact CE2-CD2 3.67Å; Y1797-H1852 AromaticContact CG-CD2 3.51Å; Y1797-H1852 AromaticContact CG-NE2 3.9Å; E1798-H1852 VanDerWaalsContact OE2-O 3.14Å; L1850-H1852 HydrophobicContact CD1-CB 4.48Å; H1852-E1854 PolarHBondContact ND1-N 3.25Å; H1852-E1854 VanDerWaalsContact ND1-N 3.16Å; H1852-A1857 HydrophobicContact CB-CB 3.5Å; H1852-G1873 PolarHBondContact N-O 3.43Å; H1852-D1874 CarbonylContact O-C 3.51Å; H1852-D1874 VanDerWaalsContact O-CA 3.28Å; H1852-D1874 WeakPolarHBondContact O-CA 3.33Å; H1852-G1875 PolarHBondContact O-N 2.82Å |
| 1853 | Y | 87.1 | Confident | 91.4 | Very high | 124 Ų | 124 | 58.7 Ų | 58.7 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -82.6 | -21.1 | 179.4 | 51.4 | -93.3 | 0 | 0 | 0 | 113.8 | Y1797 G1875 | Y1797-Y1853 HydrophobicContact CD1-CE1 4.01Å; Y1797-Y1853 HydrophobicContact CG-CE1 4.36Å; Y1853-G1875 WeakPolarHBondContact O-CA 3.49Å |
| 1854 | E | 89.1 | Confident | 91.4 | Very high | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -86.9 | 139.7 | 175.4 | -65.5 | -179.6 | -179.1 | 0 | 0 | 112.7 | H1852 A1857 R1860 D1874 | H1852-E1854 PolarHBondContact ND1-N 3.25Å; H1852-E1854 VanDerWaalsContact ND1-N 3.16Å; E1854-A1857 HydrophobicContact CB-CB 4.33Å; E1854-A1857 VanDerWaalsContact O-CB 3.32Å; E1854-A1857 WeakPolarHBondContact O-CB 3.34Å; E1854-R1860 IonicContact OE2-CZ 3.02Å; E1854-R1860 IonicContact OE2-NH2 3.24Å; E1854-R1860 PolarHBondContact OE2-NH2 3.4Å; E1854-D1874 WeakPolarHBondContact O-CB 3.39Å |
| 1855 | I | 86.6 | Confident | 91.5 | Very high | 114 Ų | 114 | 45.6 Ų | 45.6 | 59% | 0.585 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 134.7 | 172.7 | -57.4 | 177.4 | 0 | 0 | 0 | 109.6 | A1857 A1876 | I1855-A1857 VanDerWaalsContact C-N 3.3Å; I1855-A1876 HydrophobicContact CD1-CB 4.17Å |
| 1856 | G | 87.2 | Confident | 91.2 | Very high | 27 Ų | 27 | 48 Ų | 48 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -1.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1858 K1859 R1860 D1874 | G1856-A1858 VanDerWaalsContact C-N 3.32Å; G1856-A1858 PolarHBondContact O-N 3.3Å; G1856-K1859 WeakPolarHBondContact O-CB 3.11Å; G1856-K1859 PolarHBondContact O-N 2.96Å; G1856-K1859 VanDerWaalsContact O-N 3.1Å; G1856-R1860 PolarHBondContact O-N 2.68Å; G1856-R1860 VanDerWaalsContact O-N 3.08Å; G1856-D1874 WeakPolarHBondContact CA-OD2 3.4Å; G1856-D1874 PolarHBondContact N-OD2 3.47Å |
| 1857 | A | 90.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1834 H1852 E1854 I1855 K1859 R1860 A1861 | L1834-A1857 HydrophobicContact CD2-CB 3.85Å; H1852-A1857 HydrophobicContact CB-CB 3.5Å; E1854-A1857 HydrophobicContact CB-CB 4.33Å; E1854-A1857 VanDerWaalsContact O-CB 3.32Å; E1854-A1857 WeakPolarHBondContact O-CB 3.34Å; I1855-A1857 VanDerWaalsContact C-N 3.3Å; A1857-K1859 VanDerWaalsContact C-N 3.28Å; A1857-K1859 PolarHBondContact O-N 3.22Å; A1857-R1860 PolarHBondContact O-N 3.42Å; A1857-A1861 WeakPolarHBondContact O-CB 3.43Å; A1857-A1861 PolarHBondContact O-N 2.98Å |
| 1858 | A | 90.3 | Very high | 91 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1856 A1862 N1871 | G1856-A1858 VanDerWaalsContact C-N 3.32Å; G1856-A1858 PolarHBondContact O-N 3.3Å; A1858-A1862 WeakPolarHBondContact O-CB 3.02Å; A1858-A1862 PolarHBondContact O-N 2.84Å; A1858-N1871 HydrophobicContact CB-CB 3.7Å; A1858-N1871 VanDerWaalsContact CB-CG 3.47Å |
| 1859 | K | 89.1 | Confident | 91 | Very high | 160 Ų | 160 | 49.8 Ų | 49.8 | 70% | 0.696 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.7 | -40.8 | 175.7 | -171.4 | 175.6 | -179.1 | 178.1 | 0 | 111.6 | G1856 A1857 A1862 L1863 | G1856-K1859 WeakPolarHBondContact O-CB 3.11Å; G1856-K1859 PolarHBondContact O-N 2.96Å; G1856-K1859 VanDerWaalsContact O-N 3.1Å; A1857-K1859 VanDerWaalsContact C-N 3.28Å; A1857-K1859 PolarHBondContact O-N 3.22Å; K1859-A1862 PolarHBondContact O-N 3.18Å; K1859-L1863 WeakPolarHBondContact O-CG 3.42Å; K1859-L1863 PolarHBondContact O-N 3.06Å |
| 1860 | R | 92.3 | Very high | 91 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 172.8 | -67 | -164.5 | -64.8 | 122.1 | -3.9 | 111.1 | E1835 E1854 G1856 A1857 A1862 L1863 S1864 | E1835-R1860 IonicContact OE1-CZ 3.39Å; E1835-R1860 IonicContact OE1-NE 3.38Å; E1835-R1860 IonicContact OE1-NH1 2.93Å; E1835-R1860 PolarHBondContact OE1-NH1 2.84Å; E1835-R1860 IonicContact OE2-NH1 3.8Å; E1835-R1860 PolarHBondContact OE2-NH1 3.41Å; E1854-R1860 IonicContact OE2-CZ 3.02Å; E1854-R1860 IonicContact OE2-NH2 3.24Å; E1854-R1860 PolarHBondContact OE2-NH2 3.4Å; G1856-R1860 PolarHBondContact O-N 2.68Å; G1856-R1860 VanDerWaalsContact O-N 3.08Å; A1857-R1860 PolarHBondContact O-N 3.42Å; R1860-A1862 PolarHBondContact O-N 2.87Å; R1860-L1863 WeakPolarHBondContact O-CB 3.3Å; R1860-L1863 PolarHBondContact O-N 2.77Å; R1860-S1864 PolarHBondContact O-N 2.71Å |
| 1861 | A | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1838 L1850 A1857 L1863 S1864 S1865 V1869 | V1838-A1861 HydrophobicContact CB-CB 4.49Å; V1838-A1861 HydrophobicContact CG1-CB 4.19Å; V1838-A1861 WeakPolarHBondContact CG1-O 3.45Å; V1838-A1861 HydrophobicContact CG2-CB 3.75Å; L1850-A1861 HydrophobicContact CD2-CB 3.25Å; A1857-A1861 WeakPolarHBondContact O-CB 3.43Å; A1857-A1861 PolarHBondContact O-N 2.98Å; A1861-L1863 PolarHBondContact O-N 3.38Å; A1861-S1864 PolarHBondContact O-N 3.35Å; A1861-S1865 WeakPolarHBondContact O-CB 3.35Å; A1861-S1865 PolarHBondContact O-N 3.33Å; A1861-V1869 HydrophobicContact CB-CG1 4.31Å |
| 1862 | A | 91.1 | Very high | 91 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -31.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A1858 K1859 R1860 S1864 V1869 | A1858-A1862 WeakPolarHBondContact O-CB 3.02Å; A1858-A1862 PolarHBondContact O-N 2.84Å; K1859-A1862 PolarHBondContact O-N 3.18Å; R1860-A1862 PolarHBondContact O-N 2.87Å; A1862-S1864 VanDerWaalsContact C-N 3.33Å; A1862-V1869 HydrophobicContact CB-CB 4.29Å; A1862-V1869 HydrophobicContact CB-CG2 4.45Å |
| 1863 | L | 90.5 | Very high | 91 | Very high | 146 Ų | 146 | 50.1 Ų | 50.1 | 76% | 0.764 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72 | -25.3 | 175.7 | -68.4 | 168.4 | 0 | 0 | 0 | 113.3 | K1859 R1860 A1861 | K1859-L1863 WeakPolarHBondContact O-CG 3.42Å; K1859-L1863 PolarHBondContact O-N 3.06Å; R1860-L1863 WeakPolarHBondContact O-CB 3.3Å; R1860-L1863 PolarHBondContact O-N 2.77Å; A1861-L1863 PolarHBondContact O-N 3.38Å |
| 1864 | S | 90.1 | Very high | 91 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -100.5 | -9.1 | 179.9 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | E1835 T1839 R1860 A1861 A1862 | E1835-S1864 WeakPolarHBondContact CG-OG 3.38Å; T1839-S1864 PolarHBondContact OG1-O 3.29Å; R1860-S1864 PolarHBondContact O-N 2.71Å; A1861-S1864 PolarHBondContact O-N 3.35Å; A1862-S1864 VanDerWaalsContact C-N 3.33Å |
| 1865 | S | 92.7 | Very high | 90.7 | Very high | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | trans | -89.7 | 136.6 | -175.9 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | S1842 A1861 V1867 V1869 | S1842-S1865 WeakPolarHBondContact CB-OG 3.33Å; A1861-S1865 WeakPolarHBondContact O-CB 3.35Å; A1861-S1865 PolarHBondContact O-N 3.33Å; S1865-V1867 VanDerWaalsContact C-N 3.29Å; S1865-V1867 WeakPolarHBondContact CB-O 3.4Å; S1865-V1867 PolarHBondContact OG-N 3.36Å; S1865-V1867 VanDerWaalsContact OG-N 3.16Å; S1865-V1867 PolarHBondContact OG-O 3.17Å; S1865-V1869 VanDerWaalsContact CB-CG2 3.45Å | ||
| 1866 | A | 87.6 | Confident | 90.2 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 50% | 0.504 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -80.4 | -10.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1842 | S1842-A1866 PolarHBondContact OG-N 2.76Š|
| 1867 | V | 92.9 | Very high | 89.9 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -125.7 | 161.4 | -178.6 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | S1842 C1845 D1846 L1848 S1865 V1869 | S1842-V1867 WeakPolarHBondContact O-CG1 3.25Å; C1845-V1867 WeakPolarHBondContact O-CG1 3.41Å; D1846-V1867 WeakPolarHBondContact O-CB 3.39Å; L1848-V1867 HydrophobicContact CD1-CG2 4.05Å; L1848-V1867 HydrophobicContact CG-CG2 4.19Å; S1865-V1867 VanDerWaalsContact C-N 3.29Å; S1865-V1867 WeakPolarHBondContact CB-O 3.4Å; S1865-V1867 PolarHBondContact OG-N 3.36Å; S1865-V1867 VanDerWaalsContact OG-N 3.16Å; S1865-V1867 PolarHBondContact OG-O 3.17Å; V1867-V1869 PolarHBondContact O-N 3.13Å |
| 1868 | P | 93.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | trans | -55.8 | 139.7 | 179.7 | -27 | 36.7 | 0 | 0 | 0 | 113 | V1847 L1848 V2044 Y2048 | V1847-P1868 HydrophobicContact CG2-CB 4.31Å; L1848-P1868 PolarHBondContact N-O 3.42Å; P1868-V2044 HydrophobicContact CB-CG1 3.63Å; P1868-V2044 HydrophobicContact CG-CG1 3.79Å; P1868-Y2048 HydrophobicContact CG-CD2 3.98Å; P1868-Y2048 HydrophobicContact CG-CE2 3.53Å | ||
| 1869 | V | 94.3 | Very high | 89.8 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.9 | 177 | -178 | 0 | 0 | 0 | 0 | 109.6 | L1848 L1850 A1861 A1862 S1865 V1867 | L1848-V1869 HydrophobicContact CB-CG2 4.21Å; L1848-V1869 CarbonylContact O-C 3.47Å; L1848-V1869 WeakPolarHBondContact O-CA 3.5Å; L1850-V1869 HydrophobicContact CB-CG1 4.06Å; L1850-V1869 HydrophobicContact CD2-CG1 4.46Å; A1861-V1869 HydrophobicContact CB-CG1 4.31Å; A1862-V1869 HydrophobicContact CB-CB 4.29Å; A1862-V1869 HydrophobicContact CB-CG2 4.45Å; S1865-V1869 VanDerWaalsContact CB-CG2 3.45Å; V1867-V1869 PolarHBondContact O-N 3.13Å |
| 1870 | I | 95 | Very high | 90 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.6 | 176.2 | -59.4 | 178.6 | 0 | 0 | 0 | 109.2 | F1807 V1847 L1848 V1849 L1850 A1872 T1881 L2041 V2044 | F1807-I1870 HydrophobicContact CE1-CD1 4.2Å; F1807-I1870 HydrophobicContact CE1-CG2 4.14Å; F1807-I1870 HydrophobicContact CZ-CG2 3.68Å; V1847-I1870 HydrophobicContact CG2-CD1 3.98Å; V1847-I1870 HydrophobicContact CG2-CG1 4.17Å; L1848-I1870 PolarHBondContact O-N 3.18Å; V1849-I1870 HydrophobicContact CG2-CB 4.29Å; V1849-I1870 HydrophobicContact CG2-CD1 4.4Å; L1850-I1870 PolarHBondContact N-O 2.84Å; I1870-A1872 PolarHBondContact O-N 3.18Å; I1870-T1881 HydrophobicContact CG2-CG2 3.63Å; I1870-L2041 HydrophobicContact CD1-CD2 3.95Å; I1870-V2044 HydrophobicContact CD1-CG2 4.5Å |
| 1871 | N | 94.4 | Very high | 90 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 16% | 0.16 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 107.3 | 175.7 | -173.3 | -1.3 | 0 | 0 | 0 | 111.1 | A1858 G1873 D1874 P1880 T1881 | A1858-N1871 HydrophobicContact CB-CB 3.7Å; A1858-N1871 VanDerWaalsContact CB-CG 3.47Å; N1871-G1873 WeakPolarHBondContact OD1-CA 3.44Å; N1871-G1873 PolarHBondContact OD1-N 3.35Å; N1871-D1874 PolarHBondContact ND2-OD1 3.2Å; N1871-P1880 HydrophobicContact CB-CG 3.86Å; N1871-T1881 WeakPolarHBondContact O-CG2 3.41Å; N1871-T1881 PolarHBondContact O-OG1 2.76Å |
| 1872 | A | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 14 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1796 T1803 F1807 V1849 L1850 R1851 I1870 H1879 | F1796-A1872 HydrophobicContact CE2-CB 4.41Å; F1796-A1872 HydrophobicContact CZ-CB 3.95Å; T1803-A1872 HydrophobicContact CG2-CB 3.88Å; F1807-A1872 HydrophobicContact CE2-CB 4.27Å; V1849-A1872 HydrophobicContact CG1-CB 3.64Å; L1850-A1872 WeakPolarHBondContact O-CA 3.3Å; L1850-A1872 WeakPolarHBondContact O-CB 3.19Å; L1850-A1872 PolarHBondContact O-N 3.44Å; R1851-A1872 HydrophobicContact CB-CB 4.19Å; R1851-A1872 PolarHBondContact NH1-O 3.01Å; I1870-A1872 PolarHBondContact O-N 3.18Å; A1872-H1879 PolarHBondContact O-CE1 2.85Å; A1872-H1879 PolarHBondContact O-NE2 3.08Å; A1872-H1879 VanDerWaalsContact O-NE2 3.11Å |
| 1873 | G | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.6 | 132.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1851 H1852 N1871 D1878 | R1851-G1873 CarbonylContact C-O 3.52Å; R1851-G1873 VanDerWaalsContact CA-O 3.3Å; R1851-G1873 WeakPolarHBondContact CA-O 3.28Å; R1851-G1873 WeakPolarHBondContact CG-O 3.06Å; H1852-G1873 PolarHBondContact N-O 3.43Å; N1871-G1873 WeakPolarHBondContact OD1-CA 3.44Å; N1871-G1873 PolarHBondContact OD1-N 3.35Å; G1873-D1878 VanDerWaalsContact CA-O 3.32Å; G1873-D1878 WeakPolarHBondContact CA-O 3.2Å |
| 1874 | D | 87.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 100.9 | 178.4 | 67.9 | -56.4 | 0 | 0 | 0 | 113.3 | H1852 E1854 G1856 N1871 G1877 D1878 | H1852-D1874 CarbonylContact O-C 3.51Å; H1852-D1874 VanDerWaalsContact O-CA 3.28Å; H1852-D1874 WeakPolarHBondContact O-CA 3.33Å; E1854-D1874 WeakPolarHBondContact O-CB 3.39Å; G1856-D1874 WeakPolarHBondContact CA-OD2 3.4Å; G1856-D1874 PolarHBondContact N-OD2 3.47Å; N1871-D1874 PolarHBondContact ND2-OD1 3.2Å; D1874-G1877 VanDerWaalsContact O-CA 3.28Å; D1874-G1877 WeakPolarHBondContact O-CA 3.46Å; D1874-G1877 PolarHBondContact O-N 2.99Å; D1874-D1878 PolarHBondContact N-O 3.19Å; D1874-D1878 PolarHBondContact OD1-N 2.96Å |
| 1875 | G | 82.6 | Confident | 90.7 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -136.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1852 Y1853 G1877 R1912 | H1852-G1875 PolarHBondContact O-N 2.82Å; Y1853-G1875 WeakPolarHBondContact O-CA 3.49Å; G1875-G1877 PolarHBondContact O-N 3.12Å; G1875-R1912 WeakPolarHBondContact O-CD 3.22Å; G1875-R1912 PolarHBondContact O-NE 2.95Å; G1875-R1912 PolarHBondContact O-NH1 3.01Å; G1875-R1912 PolarHBondContact O-NH2 3.11Å |
| 1876 | A | 77 | Confident | 90.8 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 33% | 0.331 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 11.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1855 H1915 | I1855-A1876 HydrophobicContact CD1-CB 4.17Å; A1876-H1915 PolarHBondContact O-ND1 3.45Å |
| 1877 | G | 81.3 | Confident | 91.2 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 11% | 0.113 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -76.2 | -111.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1874 G1875 | D1874-G1877 VanDerWaalsContact O-CA 3.28Å; D1874-G1877 WeakPolarHBondContact O-CA 3.46Å; D1874-G1877 PolarHBondContact O-N 2.99Å; G1875-G1877 PolarHBondContact O-N 3.12Å |
| 1878 | D | 85.7 | Confident | 91.3 | Very high | 54 Ų | 54 | 21.2 Ų | 21.2 | 29% | 0.289 | 13% | 0.125 | S | C | . | . | trans | -116.3 | 158.5 | -172.5 | -72.4 | -52.1 | 0 | 0 | 0 | 113 | G1873 D1874 S1916 K1919 | G1873-D1878 VanDerWaalsContact CA-O 3.32Å; G1873-D1878 WeakPolarHBondContact CA-O 3.2Å; D1874-D1878 PolarHBondContact N-O 3.19Å; D1874-D1878 PolarHBondContact OD1-N 2.96Å; D1878-S1916 WeakPolarHBondContact CA-OG 3.47Å; D1878-S1916 WeakPolarHBondContact CB-OG 3.37Å; D1878-S1916 PolarHBondContact OD1-OG 3.35Å; D1878-K1919 IonicContact OD1-NZ 3.05Å; D1878-K1919 PolarHBondContact OD1-NZ 3.07Å; D1878-K1919 IonicContact OD2-NZ 3.46Å; D1878-K1919 PolarHBondContact OD2-NZ 3.45Å | ||
| 1879 | H | 92.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | trans | -143.3 | 69.1 | 169 | -162.1 | -26.1 | 0 | 0 | 0 | 109.1 | R1851 A1872 T1881 Q1882 A1883 R1912 T1913 S1916 | R1851-H1879 PolarHBondContact NH1-NE2 3.11Å; A1872-H1879 PolarHBondContact O-CE1 2.85Å; A1872-H1879 PolarHBondContact O-NE2 3.08Å; A1872-H1879 VanDerWaalsContact O-NE2 3.11Å; H1879-T1881 VanDerWaalsContact C-N 3.3Å; H1879-T1881 PolarHBondContact CE1-OG1 2.62Å; H1879-T1881 PolarHBondContact ND1-OG1 3.08Å; H1879-T1881 PolarHBondContact O-N 3.04Å; H1879-Q1882 HydrophobicContact CB-CB 4.22Å; H1879-Q1882 WeakPolarHBondContact ND1-CB 3.23Å; H1879-Q1882 WeakPolarHBondContact O-CB 3Å; H1879-Q1882 PolarHBondContact O-N 3.31Å; H1879-A1883 PolarHBondContact O-N 2.92Å; H1879-A1883 VanDerWaalsContact O-N 3.13Å; H1879-R1912 HydrophobicContact CB-CG 3.94Å; H1879-T1913 HydrophobicContact CB-CG2 4.44Å; H1879-S1916 PolarHBondContact N-OG 3.28Å | ||
| 1880 | P | 92.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 18.4 Ų | 18.4 | 34% | 0.338 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63 | -35.6 | -167.2 | 24.4 | -33.8 | 0 | 0 | 0 | 112.9 | N1871 Q1882 A1883 L1884 | N1871-P1880 HydrophobicContact CB-CG 3.86Å; P1880-Q1882 VanDerWaalsContact C-N 3.26Å; P1880-Q1882 PolarHBondContact O-N 3.26Å; P1880-A1883 PolarHBondContact O-N 3.11Å; P1880-L1884 WeakPolarHBondContact O-CG 3.47Å; P1880-L1884 PolarHBondContact O-N 3.08Å |
| 1881 | T | 93.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.5 | -29.3 | 177 | 52.5 | 0 | 0 | 0 | 0 | 113 | F1807 I1870 N1871 H1879 L1885 L2040 | F1807-T1881 HydrophobicContact CE2-CG2 4.44Å; F1807-T1881 HydrophobicContact CZ-CG2 3.92Å; I1870-T1881 HydrophobicContact CG2-CG2 3.63Å; N1871-T1881 WeakPolarHBondContact O-CG2 3.41Å; N1871-T1881 PolarHBondContact O-OG1 2.76Å; H1879-T1881 VanDerWaalsContact C-N 3.3Å; H1879-T1881 PolarHBondContact CE1-OG1 2.62Å; H1879-T1881 PolarHBondContact ND1-OG1 3.08Å; H1879-T1881 PolarHBondContact O-N 3.04Å; T1881-L1885 PolarHBondContact O-N 2.98Å; T1881-L2040 HydrophobicContact CG2-CD1 4.08Å |
| 1882 | Q | 93.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77.7 | -41.8 | 172.7 | -173.3 | 69.1 | 44.7 | 0 | 0 | 110.6 | H1879 P1880 L1884 L1885 D1886 T1913 | H1879-Q1882 HydrophobicContact CB-CB 4.22Å; H1879-Q1882 WeakPolarHBondContact ND1-CB 3.23Å; H1879-Q1882 WeakPolarHBondContact O-CB 3Å; H1879-Q1882 PolarHBondContact O-N 3.31Å; P1880-Q1882 VanDerWaalsContact C-N 3.26Å; P1880-Q1882 PolarHBondContact O-N 3.26Å; Q1882-L1884 VanDerWaalsContact C-N 3.31Å; Q1882-L1884 PolarHBondContact O-N 3.12Å; Q1882-L1885 WeakPolarHBondContact O-CG 3.12Å; Q1882-L1885 PolarHBondContact O-N 2.93Å; Q1882-D1886 PolarHBondContact NE2-OD1 3.42Å; Q1882-D1886 WeakPolarHBondContact O-CB 3.2Å; Q1882-D1886 PolarHBondContact O-N 3.06Å; Q1882-T1913 HydrophobicContact CB-CG2 4.32Å; Q1882-T1913 HydrophobicContact CG-CG2 3.78Å |
| 1883 | A | 94.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | H1879 P1880 L1885 D1886 I1887 L1920 | H1879-A1883 PolarHBondContact O-N 2.92Å; H1879-A1883 VanDerWaalsContact O-N 3.13Å; P1880-A1883 PolarHBondContact O-N 3.11Å; A1883-L1885 PolarHBondContact O-N 2.89Å; A1883-D1886 PolarHBondContact O-N 3.09Å; A1883-I1887 WeakPolarHBondContact O-CG1 3.43Å; A1883-I1887 PolarHBondContact O-N 3.31Å; A1883-L1920 HydrophobicContact CB-CB 4.23Å; A1883-L1920 HydrophobicContact CB-CD2 3.72Å |
| 1884 | L | 94.7 | Very high | 91.1 | Very high | 71 Ų | 71 | 31.5 Ų | 31.5 | 37% | 0.372 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61 | -44.3 | 176.4 | -74.9 | 169 | 0 | 0 | 0 | 112.5 | P1880 Q1882 D1886 I1887 F1888 L1920 V2036 L2040 | P1880-L1884 WeakPolarHBondContact O-CG 3.47Å; P1880-L1884 PolarHBondContact O-N 3.08Å; Q1882-L1884 VanDerWaalsContact C-N 3.31Å; Q1882-L1884 PolarHBondContact O-N 3.12Å; L1884-D1886 VanDerWaalsContact C-N 3.33Å; L1884-I1887 PolarHBondContact O-N 2.7Å; L1884-F1888 WeakPolarHBondContact O-CB 3.47Å; L1884-F1888 PolarHBondContact O-N 2.95Å; L1884-L1920 HydrophobicContact CD2-CD2 4.07Å; L1884-L1920 HydrophobicContact CG-CD2 4.32Å; L1884-V2036 HydrophobicContact CB-CG1 4.04Å; L1884-L2040 HydrophobicContact CD1-CD1 4.09Å; L1884-L2040 HydrophobicContact CD1-CD2 4.02Å |
| 1885 | L | 95.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.9 | -31.5 | 179.2 | 85.2 | 87.2 | 0 | 0 | 0 | 112.3 | T1881 Q1882 A1883 F1888 T1889 Q2029 V2036 | T1881-L1885 PolarHBondContact O-N 2.98Å; Q1882-L1885 WeakPolarHBondContact O-CG 3.12Å; Q1882-L1885 PolarHBondContact O-N 2.93Å; A1883-L1885 PolarHBondContact O-N 2.89Å; L1885-F1888 PolarHBondContact O-N 3.17Å; L1885-T1889 WeakPolarHBondContact O-CB 3.19Å; L1885-T1889 PolarHBondContact O-N 3.2Å; L1885-T1889 PolarHBondContact O-OG1 3.42Å; L1885-Q2029 HydrophobicContact CD1-CG 3.76Å; L1885-Q2029 VanDerWaalsContact CD1-O 3.3Å; L1885-Q2029 WeakPolarHBondContact CD1-O 3.26Å; L1885-V2036 HydrophobicContact CB-CB 4.09Å; L1885-V2036 HydrophobicContact CB-CG1 4.2Å; L1885-V2036 HydrophobicContact CB-CG2 4.08Å |
| 1886 | D | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 175.2 | -65.2 | -11.6 | 0 | 0 | 0 | 110.4 | Q1882 A1883 L1884 T1889 I1890 L1917 Y1969 M2005 Q2029 | Q1882-D1886 PolarHBondContact NE2-OD1 3.42Å; Q1882-D1886 WeakPolarHBondContact O-CB 3.2Å; Q1882-D1886 PolarHBondContact O-N 3.06Å; A1883-D1886 PolarHBondContact O-N 3.09Å; L1884-D1886 VanDerWaalsContact C-N 3.33Å; D1886-T1889 WeakPolarHBondContact O-CB 3.29Å; D1886-T1889 PolarHBondContact O-N 3.48Å; D1886-I1890 WeakPolarHBondContact O-CG1 3.44Å; D1886-I1890 PolarHBondContact O-N 2.95Å; D1886-L1917 HydrophobicContact CB-CD1 3.93Å; D1886-L1917 HydrophobicContact CB-CD2 4.33Å; D1886-Y1969 HydrophobicContact CB-CE2 4.26Å; D1886-Y1969 WeakPolarHBondContact OD2-CE2 3.2Å; D1886-Y1969 VanDerWaalsContact OD2-CZ 3.3Å; D1886-Y1969 PolarHBondContact OD2-OH 3.12Å; D1886-M2005 HydrophobicContact CB-CE 3.95Å; D1886-M2005 WeakPolarHBondContact O-CE 3.3Å; D1886-Q2029 PolarHBondContact OD1-NE2 3.37Å |
| 1887 | I | 95.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.6 | -68.1 | -65 | 0 | 0 | 0 | 111.6 | A1883 L1884 T1889 I1890 R1891 V1897 L1917 L1920 L1921 Y1924 | A1883-I1887 WeakPolarHBondContact O-CG1 3.43Å; A1883-I1887 PolarHBondContact O-N 3.31Å; L1884-I1887 PolarHBondContact O-N 2.7Å; I1887-T1889 VanDerWaalsContact C-N 3.31Å; I1887-T1889 PolarHBondContact O-N 3.39Å; I1887-I1890 PolarHBondContact O-N 2.86Å; I1887-R1891 PolarHBondContact O-N 3.42Å; I1887-V1897 HydrophobicContact CD1-CG1 3.98Å; I1887-V1897 HydrophobicContact CG2-CG2 4.12Å; I1887-L1917 HydrophobicContact CD1-CD1 3.96Å; I1887-L1917 HydrophobicContact CG1-CD1 4.19Å; I1887-L1920 HydrophobicContact CB-CD2 4.47Å; I1887-L1920 HydrophobicContact CG1-CD2 3.61Å; I1887-L1920 HydrophobicContact CG1-CG 4.1Å; I1887-L1921 HydrophobicContact CD1-CD2 3.41Å; I1887-L1921 VanDerWaalsContact CD1-CD2 3.41Å; I1887-L1921 HydrophobicContact CD1-CG 3.95Å; I1887-Y1924 HydrophobicContact CD1-CD2 4.21Å; I1887-Y1924 HydrophobicContact CD1-CE2 3.94Å; I1887-Y1924 HydrophobicContact CG1-CE2 4.38Å; I1887-Y1924 HydrophobicContact CG2-CE2 3.95Å; I1887-Y1924 WeakPolarHBondContact CG2-OH 3.36Å |
| 1888 | F | 95 | Very high | 92.3 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176 | 178.9 | -98.3 | 0 | 0 | 0 | 111.4 | L1884 L1885 I1890 R1891 E1892 Y2032 V2036 | L1884-F1888 WeakPolarHBondContact O-CB 3.47Å; L1884-F1888 PolarHBondContact O-N 2.95Å; L1885-F1888 PolarHBondContact O-N 3.17Å; F1888-I1890 PolarHBondContact O-N 3.16Å; F1888-R1891 PolarHBondContact O-N 3.05Å; F1888-E1892 HydrophobicContact CD1-CG 4.1Å; F1888-E1892 HydrophobicContact CD2-CG 4.24Å; F1888-E1892 HydrophobicContact CE1-CG 3.65Å; F1888-E1892 HydrophobicContact CE2-CG 3.79Å; F1888-E1892 HydrophobicContact CG-CG 4.39Å; F1888-E1892 HydrophobicContact CZ-CG 3.48Å; F1888-E1892 VanDerWaalsContact CZ-CG 3.48Å; F1888-E1892 WeakPolarHBondContact O-CG 3.31Å; F1888-E1892 PolarHBondContact O-N 3.29Å; F1888-Y2032 HydrophobicContact CD1-CD2 4.48Å; F1888-Y2032 HydrophobicContact CD1-CG 4.12Å; F1888-Y2032 HydrophobicContact CE1-CD1 4.09Å; F1888-Y2032 AromaticContact CE1-CG 3.96Å; F1888-Y2032 HydrophobicContact CE1-CG 3.96Å; F1888-V2036 HydrophobicContact CB-CG2 3.73Å; F1888-V2036 HydrophobicContact CD1-CG2 3.76Å; F1888-V2036 HydrophobicContact CD2-CG2 4.34Å; F1888-V2036 HydrophobicContact CE1-CG2 4.46Å; F1888-V2036 HydrophobicContact CG-CG2 3.67Å |
| 1889 | T | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.2 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | L1885 D1886 I1887 R1891 E1892 E1893 M2005 Q2029 Y2032 | L1885-T1889 WeakPolarHBondContact O-CB 3.19Å; L1885-T1889 PolarHBondContact O-N 3.2Å; L1885-T1889 PolarHBondContact O-OG1 3.42Å; D1886-T1889 WeakPolarHBondContact O-CB 3.29Å; D1886-T1889 PolarHBondContact O-N 3.48Å; I1887-T1889 VanDerWaalsContact C-N 3.31Å; I1887-T1889 PolarHBondContact O-N 3.39Å; T1889-R1891 VanDerWaalsContact C-N 3.3Å; T1889-R1891 PolarHBondContact O-N 2.79Å; T1889-E1892 PolarHBondContact O-N 3.28Å; T1889-E1893 HydrophobicContact CG2-CG 3.96Å; T1889-E1893 VanDerWaalsContact O-CB 3.28Å; T1889-E1893 WeakPolarHBondContact O-CB 3.23Å; T1889-E1893 WeakPolarHBondContact O-CG 3.32Å; T1889-E1893 PolarHBondContact O-N 3.32Å; T1889-M2005 HydrophobicContact CG2-CE 3.83Å; T1889-M2005 HydrophobicContact CG2-SD 4.29Å; T1889-Q2029 HydrophobicContact CG2-CB 3.91Å; T1889-Q2029 HydrophobicContact CG2-CG 4.18Å; T1889-Y2032 HydrophobicContact CG2-CD2 3.91Å; T1889-Y2032 HydrophobicContact CG2-CE2 4.13Å |
| 1890 | I | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 176.9 | -66.5 | 167.2 | 0 | 0 | 0 | 110.2 | D1886 I1887 F1888 I1894 V1897 L1900 I1902 V1967 M2005 | D1886-I1890 WeakPolarHBondContact O-CG1 3.44Å; D1886-I1890 PolarHBondContact O-N 2.95Å; I1887-I1890 PolarHBondContact O-N 2.86Å; F1888-I1890 PolarHBondContact O-N 3.16Å; I1890-I1894 HydrophobicContact CG2-CD1 4.36Å; I1890-I1894 WeakPolarHBondContact O-CB 3.32Å; I1890-I1894 PolarHBondContact O-N 2.81Å; I1890-V1897 HydrophobicContact CB-CG2 4.39Å; I1890-V1897 HydrophobicContact CG2-CB 4.38Å; I1890-V1897 HydrophobicContact CG2-CG1 4.31Å; I1890-V1897 HydrophobicContact CG2-CG2 4.04Å; I1890-L1900 HydrophobicContact CG2-CD1 3.56Å; I1890-I1902 HydrophobicContact CD1-CD1 4.16Å; I1890-V1967 HydrophobicContact CD1-CG1 4.41Å; I1890-V1967 HydrophobicContact CD1-CG2 4.41Å; I1890-V1967 HydrophobicContact CG1-CG1 4.36Å; I1890-V1967 HydrophobicContact CG1-CG2 4.14Å; I1890-V1967 HydrophobicContact CG2-CG2 4.23Å; I1890-M2005 HydrophobicContact CD1-SD 4.33Å; I1890-M2005 HydrophobicContact CG1-CE 4.18Å; I1890-M2005 HydrophobicContact CG1-SD 3.64Å |
| 1891 | R | 92.7 | Very high | 92.9 | Very high | 135 Ų | 135 | 41.2 Ų | 41.2 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63 | -45.9 | 179.4 | -164.1 | -167.6 | 86.5 | 168 | 8 | 112.1 | I1887 F1888 T1889 G1895 V1897 | I1887-R1891 PolarHBondContact O-N 3.42Å; F1888-R1891 PolarHBondContact O-N 3.05Å; T1889-R1891 VanDerWaalsContact C-N 3.3Å; T1889-R1891 PolarHBondContact O-N 2.79Å; R1891-G1895 CarbonylContact O-C 3.56Å; R1891-G1895 WeakPolarHBondContact O-CA 3.1Å; R1891-G1895 PolarHBondContact O-N 3.15Å; R1891-V1897 HydrophobicContact CB-CG2 4.09Å |
| 1892 | E | 89.4 | Confident | 93.1 | Very high | 90 Ų | 90 | 41 Ų | 41 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.9 | -35.7 | -178.1 | -68.4 | -56.6 | 125.5 | 0 | 0 | 112.4 | F1888 T1889 Y2032 | F1888-E1892 HydrophobicContact CD1-CG 4.1Å; F1888-E1892 HydrophobicContact CD2-CG 4.24Å; F1888-E1892 HydrophobicContact CE1-CG 3.65Å; F1888-E1892 HydrophobicContact CE2-CG 3.79Å; F1888-E1892 HydrophobicContact CG-CG 4.39Å; F1888-E1892 HydrophobicContact CZ-CG 3.48Å; F1888-E1892 VanDerWaalsContact CZ-CG 3.48Å; F1888-E1892 WeakPolarHBondContact O-CG 3.31Å; F1888-E1892 PolarHBondContact O-N 3.29Å; T1889-E1892 PolarHBondContact O-N 3.28Å; E1892-Y2032 HydrophobicContact CB-CE2 4.37Å |
| 1893 | E | 91.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -83.4 | -33.1 | -177.6 | -62.7 | -79.4 | 159.3 | 0 | 0 | 113.3 | T1889 I2003 R2028 Y2032 | T1889-E1893 HydrophobicContact CG2-CG 3.96Å; T1889-E1893 VanDerWaalsContact O-CB 3.28Å; T1889-E1893 WeakPolarHBondContact O-CB 3.23Å; T1889-E1893 WeakPolarHBondContact O-CG 3.32Å; T1889-E1893 PolarHBondContact O-N 3.32Å; E1893-I2003 HydrophobicContact CB-CD1 3.8Å; E1893-I2003 HydrophobicContact CB-CG2 4.1Å; E1893-I2003 HydrophobicContact CG-CD1 4.32Å; E1893-R2028 IonicContact OE1-CZ 2.77Å; E1893-R2028 IonicContact OE1-NE 3.35Å; E1893-R2028 PolarHBondContact OE1-NE 3.39Å; E1893-R2028 IonicContact OE1-NH2 2.65Å; E1893-R2028 IonicContact OE2-CZ 3.22Å; E1893-R2028 IonicContact OE2-NE 3.91Å; E1893-R2028 PolarHBondContact OE2-NE 3.25Å; E1893-R2028 IonicContact OE2-NH2 2.92Å; E1893-R2028 PolarHBondContact OE2-NH2 2.89Å; E1893-Y2032 HydrophobicContact CG-CE2 4.31Å; E1893-Y2032 PolarHBondContact OE1-OH 2.94Å |
| 1894 | I | 89.6 | Confident | 93.4 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -107.3 | -23.5 | -176.9 | -64.8 | 174.8 | 0 | 0 | 0 | 112.6 | I1890 L1900 D1966 V1967 I2003 | I1890-I1894 HydrophobicContact CG2-CD1 4.36Å; I1890-I1894 WeakPolarHBondContact O-CB 3.32Å; I1890-I1894 PolarHBondContact O-N 2.81Å; I1894-L1900 HydrophobicContact CD1-CD1 3.95Å; I1894-L1900 HydrophobicContact CG2-CD1 4.17Å; I1894-L1900 HydrophobicContact CG2-CD2 4Å; I1894-D1966 HydrophobicContact CD1-CB 4.47Å; I1894-V1967 HydrophobicContact CD1-CG2 3.46Å; I1894-V1967 VanDerWaalsContact CD1-CG2 3.46Å; I1894-I2003 HydrophobicContact CD1-CD1 3.88Å; I1894-I2003 HydrophobicContact CD1-CG1 4.03Å; I1894-I2003 HydrophobicContact CG1-CD1 4.09Å; I1894-I2003 HydrophobicContact CG1-CG1 4.48Å; I1894-I2003 HydrophobicContact CG1-CG2 4.34Å |
| 1895 | G | 84.2 | Confident | 93.4 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 64% | 0.639 | 19% | 0.192 | S | C | * | . | S | Bend | trans | 93.6 | -13.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1891 | R1891-G1895 CarbonylContact O-C 3.56Å; R1891-G1895 WeakPolarHBondContact O-CA 3.1Å; R1891-G1895 PolarHBondContact O-N 3.15Å |
| 1896 | T | 88.2 | Confident | 93.2 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | trans | -156 | 161.8 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | N1898 L1900 | T1896-N1898 PolarHBondContact OG1-N 3.12Å; T1896-N1898 VanDerWaalsContact OG1-N 3.16Å; T1896-L1900 WeakPolarHBondContact O-CD1 3.5Å | ||
| 1897 | V | 91.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -108.3 | -13.7 | 172.1 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | I1887 I1890 R1891 L1921 Y1924 V1926 | I1887-V1897 HydrophobicContact CD1-CG1 3.98Å; I1887-V1897 HydrophobicContact CG2-CG2 4.12Å; I1890-V1897 HydrophobicContact CB-CG2 4.39Å; I1890-V1897 HydrophobicContact CG2-CB 4.38Å; I1890-V1897 HydrophobicContact CG2-CG1 4.31Å; I1890-V1897 HydrophobicContact CG2-CG2 4.04Å; R1891-V1897 HydrophobicContact CB-CG2 4.09Å; V1897-L1921 HydrophobicContact CG1-CD2 3.96Å; V1897-Y1924 HydrophobicContact CB-CD1 3.61Å; V1897-Y1924 HydrophobicContact CB-CE1 3.86Å; V1897-Y1924 HydrophobicContact CB-CG 4.01Å; V1897-Y1924 HydrophobicContact CG1-CD1 3.75Å; V1897-Y1924 HydrophobicContact CG1-CD2 3.89Å; V1897-Y1924 HydrophobicContact CG1-CE1 4.15Å; V1897-Y1924 HydrophobicContact CG1-CE2 4.29Å; V1897-Y1924 HydrophobicContact CG1-CG 3.59Å; V1897-Y1924 HydrophobicContact CG2-CD1 4.47Å; V1897-Y1924 HydrophobicContact CG2-CE1 4.23Å; V1897-V1926 VanDerWaalsContact O-CG1 3.23Å; V1897-V1926 WeakPolarHBondContact O-CG1 3.42Å |
| 1898 | N | 90.1 | Very high | 92.7 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 149.8 | -179.3 | -70.9 | -59.3 | 0 | 0 | 0 | 111.9 | T1896 L1900 Q1925 | T1896-N1898 PolarHBondContact OG1-N 3.12Å; T1896-N1898 VanDerWaalsContact OG1-N 3.16Å; N1898-L1900 VanDerWaalsContact C-N 3.28Å; N1898-L1900 PolarHBondContact O-N 3.4Å; N1898-Q1925 CarbonylContact C-O 2.89Å; N1898-Q1925 HydrophobicContact CB-CB 4.45Å; N1898-Q1925 PolarHBondContact OD1-N 3.02Å |
| 1899 | Q | 91.2 | Very high | 92.4 | Very high | 146 Ų | 146 | 38.4 Ų | 38.4 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 31.1 | -179.9 | -59.2 | -65.8 | -17.9 | 0 | 0 | 114.1 | Q1925 | Q1899-Q1925 WeakPolarHBondContact CA-O 3.34Å; Q1899-Q1925 PolarHBondContact N-O 2.8Å |
| 1900 | L | 94.5 | Very high | 92 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.5 | 178.3 | -58.3 | -173.9 | 0 | 0 | 0 | 112.1 | I1890 I1894 T1896 N1898 I1902 V1926 T1927 D1966 V1967 | I1890-L1900 HydrophobicContact CG2-CD1 3.56Å; I1894-L1900 HydrophobicContact CD1-CD1 3.95Å; I1894-L1900 HydrophobicContact CG2-CD1 4.17Å; I1894-L1900 HydrophobicContact CG2-CD2 4Å; T1896-L1900 WeakPolarHBondContact O-CD1 3.5Å; N1898-L1900 VanDerWaalsContact C-N 3.28Å; N1898-L1900 PolarHBondContact O-N 3.4Å; L1900-I1902 HydrophobicContact CB-CG1 4.25Å; L1900-V1926 VanDerWaalsContact O-CA 3.31Å; L1900-V1926 WeakPolarHBondContact O-CA 3.48Å; L1900-V1926 WeakPolarHBondContact O-CB 3.08Å; L1900-T1927 PolarHBondContact O-N 2.92Å; L1900-D1966 HydrophobicContact CB-CB 4.38Å; L1900-D1966 HydrophobicContact CD2-CB 3.96Å; L1900-V1967 HydrophobicContact CD1-CG2 4.31Å |
| 1901 | T | 97.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.3 | 165.7 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | T1927 L1929 C1965 D1966 V1967 | T1901-T1927 CarbonylContact C-O 3.58Å; T1901-T1927 WeakPolarHBondContact CA-O 3.36Å; T1901-T1927 HydrophobicContact CG2-CG2 4.37Å; T1901-L1929 HydrophobicContact CG2-CD1 3.65Å; T1901-L1929 HydrophobicContact CG2-CG 3.84Å; T1901-C1965 HydrophobicContact CG2-CB 4.37Å; T1901-C1965 CarbonylContact O-C 3.6Å; T1901-C1965 VanDerWaalsContact O-CA 3.29Å; T1901-C1965 WeakPolarHBondContact O-CA 3.4Å; T1901-C1965 WeakPolarHBondContact O-CB 3.38Å; T1901-D1966 PolarHBondContact N-OD2 3.5Å; T1901-D1966 PolarHBondContact O-N 3.01Å; T1901-V1967 PolarHBondContact O-N 2.78Å |
| 1902 | I | 97.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.4 | -174.5 | -56.5 | 178.9 | 0 | 0 | 0 | 108.9 | I1890 L1900 L1904 L1921 V1926 T1927 L1928 L1929 V1967 | I1890-I1902 HydrophobicContact CD1-CD1 4.16Å; L1900-I1902 HydrophobicContact CB-CG1 4.25Å; I1902-L1904 HydrophobicContact CG2-CD2 3.91Å; I1902-L1921 HydrophobicContact CD1-CD1 3.72Å; I1902-L1921 HydrophobicContact CD1-CD2 3.55Å; I1902-L1921 HydrophobicContact CD1-CG 4.32Å; I1902-L1921 HydrophobicContact CG2-CD1 4.44Å; I1902-V1926 HydrophobicContact CD1-CB 4.35Å; I1902-V1926 HydrophobicContact CD1-CG1 3.97Å; I1902-T1927 PolarHBondContact N-O 3.11Å; I1902-L1928 HydrophobicContact CB-CD2 4.08Å; I1902-L1928 WeakPolarHBondContact O-CA 3.24Å; I1902-L1929 PolarHBondContact O-N 2.98Å; I1902-V1967 WeakPolarHBondContact CA-O 3.43Å; I1902-V1967 HydrophobicContact CB-CB 4.42Å; I1902-V1967 HydrophobicContact CG1-CB 4.09Å; I1902-V1967 HydrophobicContact CG1-CG2 4.28Å; I1902-V1967 HydrophobicContact CG2-CB 4.13Å; I1902-V1967 HydrophobicContact CG2-CG1 4.24Å |
| 1903 | A | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1929 A1961 C1965 V1967 L1968 Y1969 | A1903-L1929 CarbonylContact C-O 3.45Å; A1903-L1929 WeakPolarHBondContact CA-O 3.37Å; A1903-L1929 HydrophobicContact CB-CB 4.08Å; A1903-A1961 HydrophobicContact CB-CB 4.14Å; A1903-C1965 HydrophobicContact CB-CB 3.83Å; A1903-V1967 PolarHBondContact N-O 3.23Å; A1903-L1968 HydrophobicContact CB-CD1 3.84Å; A1903-Y1969 PolarHBondContact O-N 3.26Å |
| 1904 | L | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.6 | 175.2 | -49.8 | 179.8 | 0 | 0 | 0 | 108.5 | I1902 L1908 V1914 L1917 A1918 L1929 Y1930 V1931 M1938 Y1969 | I1902-L1904 HydrophobicContact CG2-CD2 3.91Å; L1904-L1908 HydrophobicContact CB-CD2 3.79Å; L1904-V1914 HydrophobicContact CD1-CG1 3.87Å; L1904-L1917 HydrophobicContact CD2-CD2 4.29Å; L1904-A1918 HydrophobicContact CD1-CB 4.49Å; L1904-L1929 PolarHBondContact N-O 3.02Å; L1904-Y1930 HydrophobicContact CB-CD1 4.31Å; L1904-Y1930 HydrophobicContact CD1-CD1 4.21Å; L1904-Y1930 HydrophobicContact CD1-CE1 3.78Å; L1904-Y1930 HydrophobicContact CG-CD1 4.49Å; L1904-Y1930 HydrophobicContact CG-CE1 4.45Å; L1904-V1931 PolarHBondContact O-N 2.94Å; L1904-M1938 HydrophobicContact CD1-CE 3.98Å; L1904-Y1969 HydrophobicContact CD2-CD1 4.32Å; L1904-Y1969 HydrophobicContact CD2-CG 4.2Å |
| 1905 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.5 | -168.5 | -170 | 0 | 0 | 0 | 0 | 111.6 | V1931 L1958 L1968 Y1969 M1970 T1971 | V1905-V1931 CarbonylContact C-O 3.56Å; V1905-V1931 VanDerWaalsContact CA-O 3.26Å; V1905-V1931 WeakPolarHBondContact CA-O 3.45Å; V1905-V1931 HydrophobicContact CB-CB 4.31Å; V1905-V1931 HydrophobicContact CG1-CB 4.07Å; V1905-V1931 HydrophobicContact CG1-CG1 4Å; V1905-V1931 HydrophobicContact CG2-CB 4.01Å; V1905-V1931 HydrophobicContact CG2-CG2 4.3Å; V1905-L1958 HydrophobicContact CG1-CD1 4.2Å; V1905-L1958 HydrophobicContact CG2-CD1 4.23Å; V1905-L1968 HydrophobicContact CG2-CD1 3.58Å; V1905-L1968 HydrophobicContact CG2-CG 4.4Å; V1905-Y1969 PolarHBondContact N-O 2.81Å; V1905-M1970 HydrophobicContact CB-SD 3.6Å; V1905-M1970 HydrophobicContact CG1-CE 4.29Å; V1905-M1970 HydrophobicContact CG1-SD 3.7Å; V1905-M1970 HydrophobicContact CG2-SD 3.96Å; V1905-M1970 CarbonylContact O-C 3.5Å; V1905-T1971 PolarHBondContact O-N 3.11Å; V1905-T1971 PolarHBondContact O-OG1 3.49Å |
| 1906 | G | 90.9 | Very high | 92 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 116.7 | -132.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1908 V1931 S1932 T1971 | G1906-L1908 PolarHBondContact O-N 3.11Å; G1906-V1931 PolarHBondContact N-O 3.34Å; G1906-S1932 WeakPolarHBondContact O-CB 3.48Å; G1906-T1971 WeakPolarHBondContact CA-OG1 3.5Å |
| 1907 | D | 90.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -84.4 | 89.2 | 177.3 | -174 | -14.5 | 0 | 0 | 0 | 110 | K1909 H1910 S1911 L1936 T1971 R1977 | D1907-K1909 PolarHBondContact OD1-N 3.09Å; D1907-H1910 IonicContact OD1-CG 2.9Å; D1907-H1910 PolarHBondContact OD1-N 3.31Å; D1907-H1910 VanDerWaalsContact OD1-N 3.1Å; D1907-H1910 IonicContact OD1-ND1 3.45Å; D1907-H1910 PolarHBondContact OD1-ND1 3.01Å; D1907-H1910 IonicContact OD2-CG 3.56Å; D1907-H1910 IonicContact OD2-ND1 2.58Å; D1907-H1910 PolarHBondContact OD2-ND1 2.85Å; D1907-S1911 WeakPolarHBondContact O-CB 3.27Å; D1907-L1936 HydrophobicContact CB-CD1 3.91Å; D1907-T1971 PolarHBondContact N-OG1 3.19Å; D1907-T1971 VanDerWaalsContact N-OG1 3.15Å; D1907-R1977 VanDerWaalsContact OD2-CD 3.32Å; D1907-R1977 WeakPolarHBondContact OD2-CD 3.35Å; D1907-R1977 IonicContact OD2-CZ 3.99Å; D1907-R1977 IonicContact OD2-NE 3.94Å; D1907-R1977 IonicContact OD2-NH1 3.15Å; D1907-R1977 PolarHBondContact OD2-NH1 2.84Å | ||
| 1908 | L | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -82.9 | -17.9 | -179 | -55.8 | -177.2 | 0 | 0 | 0 | 112.6 | L1904 G1906 V1914 H1915 Y1930 L1936 M1938 P1939 | L1904-L1908 HydrophobicContact CB-CD2 3.79Å; G1906-L1908 PolarHBondContact O-N 3.11Å; L1908-V1914 HydrophobicContact CD2-CG1 3.85Å; L1908-V1914 HydrophobicContact CD2-CG2 4.13Å; L1908-H1915 PolarHBondContact O-NE2 2.96Å; L1908-Y1930 HydrophobicContact CD1-CD1 4.16Å; L1908-Y1930 HydrophobicContact CD1-CG 4.22Å; L1908-L1936 PolarHBondContact N-O 2.73Å; L1908-L1936 VanDerWaalsContact N-O 3.16Å; L1908-M1938 HydrophobicContact CB-CB 4.3Å; L1908-M1938 HydrophobicContact CB-CE 4.15Å; L1908-M1938 HydrophobicContact CB-SD 4.42Å; L1908-M1938 HydrophobicContact CD1-CE 4.32Å; L1908-P1939 WeakPolarHBondContact O-CD 3.42Å | ||
| 1909 | K | 88.7 | Confident | 92.5 | Very high | 99 Ų | 99 | 24 Ų | 24 | 43% | 0.43 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -73.4 | -36.6 | -176.8 | -171.9 | 170.4 | -178.6 | 174.7 | 0 | 113.5 | D1907 H1915 L1936 E1937 P1939 | D1907-K1909 PolarHBondContact OD1-N 3.09Å; K1909-H1915 PolarHBondContact O-CE1 3.04Å; K1909-H1915 PolarHBondContact O-NE2 3.16Å; K1909-L1936 PolarHBondContact N-O 3.17Å; K1909-L1936 VanDerWaalsContact N-O 3.15Å; K1909-E1937 WeakPolarHBondContact CA-O 3.44Å; K1909-E1937 VanDerWaalsContact CB-O 3.28Å; K1909-E1937 WeakPolarHBondContact CB-O 3.39Å; K1909-P1939 WeakPolarHBondContact O-CG 3.3Å |
| 1910 | H | 86.9 | Confident | 92.6 | Very high | 66 Ų | 66 | 19.1 Ų | 19.1 | 31% | 0.306 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -120 | 4.9 | -170.4 | -53.2 | 104.8 | 0 | 0 | 0 | 112.9 | D1907 R1912 | D1907-H1910 IonicContact OD1-CG 2.9Å; D1907-H1910 PolarHBondContact OD1-N 3.31Å; D1907-H1910 VanDerWaalsContact OD1-N 3.1Å; D1907-H1910 IonicContact OD1-ND1 3.45Å; D1907-H1910 PolarHBondContact OD1-ND1 3.01Å; D1907-H1910 IonicContact OD2-CG 3.56Å; D1907-H1910 IonicContact OD2-ND1 2.58Å; D1907-H1910 PolarHBondContact OD2-ND1 2.85Å; H1910-R1912 PolarHBondContact O-N 3.26Å |
| 1911 | S | 88.4 | Confident | 92.7 | Very high | 20 Ų | 20 | 18.5 Ų | 18.5 | 14% | 0.14 | 9% | 0.09 | C | C | . | . | trans | -87.8 | 99.1 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | D1907 T1913 V1914 H1915 | D1907-S1911 WeakPolarHBondContact O-CB 3.27Å; S1911-T1913 PolarHBondContact O-N 2.86Å; S1911-T1913 VanDerWaalsContact O-N 3.17Å; S1911-T1913 PolarHBondContact OG-OG1 2.86Å; S1911-T1913 VanDerWaalsContact OG-OG1 3.09Å; S1911-V1914 WeakPolarHBondContact O-CB 3.3Å; S1911-V1914 PolarHBondContact O-N 2.81Å; S1911-V1914 VanDerWaalsContact O-N 3.11Å; S1911-V1914 WeakPolarHBondContact OG-CG2 3.41Å; S1911-V1914 PolarHBondContact OG-N 2.99Å; S1911-H1915 PolarHBondContact O-CD2 3.38Å; S1911-H1915 VanDerWaalsContact O-CD2 3.3Å; S1911-H1915 VanDerWaalsContact O-CG 3.27Å; S1911-H1915 PolarHBondContact O-N 3.09Å | ||
| 1912 | R | 86.1 | Confident | 92.5 | Very high | 34 Ų | 34 | 17.7 Ų | 17.7 | 13% | 0.128 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55 | -31.1 | 173.3 | 70.1 | -176.2 | 94.4 | -172.5 | 0.1 | 113.4 | E1798 G1875 H1879 H1910 S1916 | E1798-R1912 VanDerWaalsContact CD-NH2 3.31Å; E1798-R1912 IonicContact OE1-NH2 3Å; E1798-R1912 PolarHBondContact OE1-NH2 2.89Å; E1798-R1912 VanDerWaalsContact OE1-NH2 3.09Å; E1798-R1912 IonicContact OE2-CZ 3.04Å; E1798-R1912 IonicContact OE2-NH1 3.99Å; E1798-R1912 PolarHBondContact OE2-NH1 3.14Å; E1798-R1912 IonicContact OE2-NH2 3.67Å; E1798-R1912 PolarHBondContact OE2-NH2 2.72Å; G1875-R1912 WeakPolarHBondContact O-CD 3.22Å; G1875-R1912 PolarHBondContact O-NE 2.95Å; G1875-R1912 PolarHBondContact O-NH1 3.01Å; G1875-R1912 PolarHBondContact O-NH2 3.11Å; H1879-R1912 HydrophobicContact CB-CG 3.94Å; H1910-R1912 PolarHBondContact O-N 3.26Å; R1912-S1916 PolarHBondContact O-N 2.92Å; R1912-S1916 VanDerWaalsContact O-N 3.08Å; R1912-S1916 PolarHBondContact O-OG 3.03Å |
| 1913 | T | 90.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 9% | 0.092 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.9 | -41.6 | 179.1 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | H1879 Q1882 S1911 L1917 P2007 | H1879-T1913 HydrophobicContact CB-CG2 4.44Å; Q1882-T1913 HydrophobicContact CB-CG2 4.32Å; Q1882-T1913 HydrophobicContact CG-CG2 3.78Å; S1911-T1913 PolarHBondContact O-N 2.86Å; S1911-T1913 VanDerWaalsContact O-N 3.17Å; S1911-T1913 PolarHBondContact OG-OG1 2.86Å; S1911-T1913 VanDerWaalsContact OG-OG1 3.09Å; T1913-L1917 WeakPolarHBondContact O-CB 3.39Å; T1913-L1917 PolarHBondContact O-N 3.14Å; T1913-P2007 HydrophobicContact CG2-CB 4.3Å |
| 1914 | V | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.5 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | L1904 L1908 S1911 L1917 A1918 M1938 Y1969 T1971 | L1904-V1914 HydrophobicContact CD1-CG1 3.87Å; L1908-V1914 HydrophobicContact CD2-CG1 3.85Å; L1908-V1914 HydrophobicContact CD2-CG2 4.13Å; S1911-V1914 WeakPolarHBondContact O-CB 3.3Å; S1911-V1914 PolarHBondContact O-N 2.81Å; S1911-V1914 VanDerWaalsContact O-N 3.11Å; S1911-V1914 WeakPolarHBondContact OG-CG2 3.41Å; S1911-V1914 PolarHBondContact OG-N 2.99Å; V1914-L1917 PolarHBondContact O-N 3.41Å; V1914-A1918 VanDerWaalsContact O-CB 3.29Å; V1914-A1918 WeakPolarHBondContact O-CB 3.46Å; V1914-A1918 PolarHBondContact O-N 3.32Å; V1914-M1938 HydrophobicContact CG1-CE 3.31Å; V1914-M1938 HydrophobicContact CG1-SD 4.01Å; V1914-Y1969 HydrophobicContact CG2-CD1 4.33Å; V1914-Y1969 HydrophobicContact CG2-CE1 4.12Å; V1914-T1971 HydrophobicContact CG2-CG2 3.56Å |
| 1915 | H | 92.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 179.1 | -58.9 | 166.9 | 0 | 0 | 0 | 111.4 | A1876 L1908 K1909 S1911 A1918 K1919 V1942 | A1876-H1915 PolarHBondContact O-ND1 3.45Å; L1908-H1915 PolarHBondContact O-NE2 2.96Å; K1909-H1915 PolarHBondContact O-CE1 3.04Å; K1909-H1915 PolarHBondContact O-NE2 3.16Å; S1911-H1915 PolarHBondContact O-CD2 3.38Å; S1911-H1915 VanDerWaalsContact O-CD2 3.3Å; S1911-H1915 VanDerWaalsContact O-CG 3.27Å; S1911-H1915 PolarHBondContact O-N 3.09Å; H1915-A1918 PolarHBondContact O-N 2.75Å; H1915-K1919 VanDerWaalsContact O-CG 3.29Å; H1915-K1919 WeakPolarHBondContact O-CG 3.41Å; H1915-K1919 PolarHBondContact O-N 2.87Å; H1915-K1919 VanDerWaalsContact O-N 3.08Å; H1915-V1942 HydrophobicContact CB-CG2 4.36Å |
| 1916 | S | 93.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.1 | -37.8 | 178.3 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | D1878 H1879 R1912 K1919 L1920 | D1878-S1916 WeakPolarHBondContact CA-OG 3.47Å; D1878-S1916 WeakPolarHBondContact CB-OG 3.37Å; D1878-S1916 PolarHBondContact OD1-OG 3.35Å; H1879-S1916 PolarHBondContact N-OG 3.28Å; R1912-S1916 PolarHBondContact O-N 2.92Å; R1912-S1916 VanDerWaalsContact O-N 3.08Å; R1912-S1916 PolarHBondContact O-OG 3.03Å; S1916-K1919 PolarHBondContact O-N 2.71Å; S1916-L1920 WeakPolarHBondContact O-CB 3.46Å; S1916-L1920 PolarHBondContact O-N 2.86Å |
| 1917 | L | 95.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 176.1 | -179.8 | 58.3 | 0 | 0 | 0 | 111 | D1886 I1887 L1904 T1913 V1914 K1919 L1920 L1921 Y1969 | D1886-L1917 HydrophobicContact CB-CD1 3.93Å; D1886-L1917 HydrophobicContact CB-CD2 4.33Å; I1887-L1917 HydrophobicContact CD1-CD1 3.96Å; I1887-L1917 HydrophobicContact CG1-CD1 4.19Å; L1904-L1917 HydrophobicContact CD2-CD2 4.29Å; T1913-L1917 WeakPolarHBondContact O-CB 3.39Å; T1913-L1917 PolarHBondContact O-N 3.14Å; V1914-L1917 PolarHBondContact O-N 3.41Å; L1917-K1919 VanDerWaalsContact C-N 3.34Å; L1917-K1919 PolarHBondContact O-N 2.89Å; L1917-L1920 PolarHBondContact O-N 3.1Å; L1917-L1921 HydrophobicContact CD1-CD1 3.97Å; L1917-L1921 HydrophobicContact CD1-CG 3.97Å; L1917-L1921 HydrophobicContact CG-CD1 3.8Å; L1917-L1921 HydrophobicContact CG-CG 4.28Å; L1917-L1921 VanDerWaalsContact O-CB 3.31Å; L1917-L1921 WeakPolarHBondContact O-CB 3.34Å; L1917-L1921 VanDerWaalsContact O-CG 3.23Å; L1917-L1921 WeakPolarHBondContact O-CG 3.48Å; L1917-L1921 PolarHBondContact O-N 2.94Å; L1917-Y1969 HydrophobicContact CD2-CD1 4.45Å; L1917-Y1969 HydrophobicContact CD2-CD2 3.67Å; L1917-Y1969 HydrophobicContact CD2-CE1 4.44Å; L1917-Y1969 HydrophobicContact CD2-CE2 3.63Å; L1917-Y1969 HydrophobicContact CD2-CG 4.08Å |
| 1918 | A | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1904 V1914 H1915 C1922 L1928 V1942 V1946 | L1904-A1918 HydrophobicContact CD1-CB 4.49Å; V1914-A1918 VanDerWaalsContact O-CB 3.29Å; V1914-A1918 WeakPolarHBondContact O-CB 3.46Å; V1914-A1918 PolarHBondContact O-N 3.32Å; H1915-A1918 PolarHBondContact O-N 2.75Å; A1918-C1922 PolarHBondContact O-SG 2.99Å; A1918-C1922 VanDerWaalsContact O-SG 3.41Å; A1918-L1928 HydrophobicContact CB-CD1 4.43Å; A1918-V1942 HydrophobicContact CB-CG1 4.18Å; A1918-V1946 HydrophobicContact CB-CG2 4.17Å |
| 1919 | K | 92.6 | Very high | 92.5 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 175 | -68.7 | 172.5 | -173.8 | 170.9 | 0 | 112.3 | D1878 H1915 S1916 L1917 C1922 Y1945 | D1878-K1919 IonicContact OD1-NZ 3.05Å; D1878-K1919 PolarHBondContact OD1-NZ 3.07Å; D1878-K1919 IonicContact OD2-NZ 3.46Å; D1878-K1919 PolarHBondContact OD2-NZ 3.45Å; H1915-K1919 VanDerWaalsContact O-CG 3.29Å; H1915-K1919 WeakPolarHBondContact O-CG 3.41Å; H1915-K1919 PolarHBondContact O-N 2.87Å; H1915-K1919 VanDerWaalsContact O-N 3.08Å; S1916-K1919 PolarHBondContact O-N 2.71Å; L1917-K1919 VanDerWaalsContact C-N 3.34Å; L1917-K1919 PolarHBondContact O-N 2.89Å; K1919-C1922 WeakPolarHBondContact O-CB 3.44Å; K1919-C1922 PolarHBondContact O-N 2.99Å; K1919-Y1945 HydrophobicContact CB-CD1 4.28Å; K1919-Y1945 HydrophobicContact CB-CE1 3.77Å; K1919-Y1945 HydrophobicContact CG-CD1 3.74Å; K1919-Y1945 HydrophobicContact CG-CE1 3.66Å; K1919-Y1945 HydrophobicContact CG-CG 4.46Å |
| 1920 | L | 93.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.7 | -33.3 | -178.3 | -168.8 | 64.5 | 0 | 0 | 0 | 112 | A1883 L1884 I1887 S1916 L1917 C1922 H1923 | A1883-L1920 HydrophobicContact CB-CB 4.23Å; A1883-L1920 HydrophobicContact CB-CD2 3.72Å; L1884-L1920 HydrophobicContact CD2-CD2 4.07Å; L1884-L1920 HydrophobicContact CG-CD2 4.32Å; I1887-L1920 HydrophobicContact CB-CD2 4.47Å; I1887-L1920 HydrophobicContact CG1-CD2 3.61Å; I1887-L1920 HydrophobicContact CG1-CG 4.1Å; S1916-L1920 WeakPolarHBondContact O-CB 3.46Å; S1916-L1920 PolarHBondContact O-N 2.86Å; L1917-L1920 PolarHBondContact O-N 3.1Å; L1920-C1922 PolarHBondContact O-N 3.31Å; L1920-H1923 PolarHBondContact O-CD2 3.32Å; L1920-H1923 PolarHBondContact O-N 3.4Å; L1920-H1923 VanDerWaalsContact O-N 3.14Å |
| 1921 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -18.3 | 172.9 | -77.2 | 170.5 | 0 | 0 | 0 | 113 | I1887 V1897 I1902 L1917 H1923 Y1924 V1926 L1928 I1951 | I1887-L1921 HydrophobicContact CD1-CD2 3.41Å; I1887-L1921 VanDerWaalsContact CD1-CD2 3.41Å; I1887-L1921 HydrophobicContact CD1-CG 3.95Å; V1897-L1921 HydrophobicContact CG1-CD2 3.96Å; I1902-L1921 HydrophobicContact CD1-CD1 3.72Å; I1902-L1921 HydrophobicContact CD1-CD2 3.55Å; I1902-L1921 HydrophobicContact CD1-CG 4.32Å; I1902-L1921 HydrophobicContact CG2-CD1 4.44Å; L1917-L1921 HydrophobicContact CD1-CD1 3.97Å; L1917-L1921 HydrophobicContact CD1-CG 3.97Å; L1917-L1921 HydrophobicContact CG-CD1 3.8Å; L1917-L1921 HydrophobicContact CG-CG 4.28Å; L1917-L1921 VanDerWaalsContact O-CB 3.31Å; L1917-L1921 WeakPolarHBondContact O-CB 3.34Å; L1917-L1921 VanDerWaalsContact O-CG 3.23Å; L1917-L1921 WeakPolarHBondContact O-CG 3.48Å; L1917-L1921 PolarHBondContact O-N 2.94Å; L1921-H1923 PolarHBondContact O-N 3.35Å; L1921-H1923 VanDerWaalsContact O-N 3.1Å; L1921-Y1924 PolarHBondContact O-N 3.05Å; L1921-V1926 HydrophobicContact CB-CG2 4.04Å; L1921-V1926 HydrophobicContact CD2-CG1 4.2Å; L1921-V1926 HydrophobicContact CD2-CG2 4.38Å; L1921-L1928 HydrophobicContact CD1-CD2 3.87Å; L1921-I1951 WeakPolarHBondContact O-CD1 3.45Å |
| 1922 | C | 93.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 9% | 0.088 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -16.7 | 170.6 | -64.4 | 0 | 0 | 0 | 0 | 114.7 | A1918 K1919 L1920 Y1924 Y1949 I1951 | A1918-C1922 PolarHBondContact O-SG 2.99Å; A1918-C1922 VanDerWaalsContact O-SG 3.41Å; K1919-C1922 WeakPolarHBondContact O-CB 3.44Å; K1919-C1922 PolarHBondContact O-N 2.99Å; L1920-C1922 PolarHBondContact O-N 3.31Å; C1922-Y1924 VanDerWaalsContact C-N 3.3Å; C1922-Y1949 HydrophobicContact CB-CD1 3.7Å; C1922-Y1949 HydrophobicContact CB-CD2 3.91Å; C1922-Y1949 HydrophobicContact CB-CE1 4.13Å; C1922-Y1949 HydrophobicContact CB-CE2 4.34Å; C1922-Y1949 HydrophobicContact CB-CG 3.57Å; C1922-I1951 VanDerWaalsContact CA-CD1 3.49Å; C1922-I1951 HydrophobicContact CB-CD1 4.35Å |
| 1923 | H | 91.4 | Very high | 93.4 | Very high | 131 Ų | 131 | 27.3 Ų | 27.3 | 61% | 0.606 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.3 | 173.6 | -66.9 | -79.1 | 0 | 0 | 0 | 113.8 | L1920 L1921 | L1920-H1923 PolarHBondContact O-CD2 3.32Å; L1920-H1923 PolarHBondContact O-N 3.4Å; L1920-H1923 VanDerWaalsContact O-N 3.14Å; L1921-H1923 PolarHBondContact O-N 3.35Å; L1921-H1923 VanDerWaalsContact O-N 3.1Å |
| 1924 | Y | 92.7 | Very high | 93 | Very high | 75 Ų | 75 | 35 Ų | 35 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -127.7 | 158 | -176.7 | -58.8 | -85 | 0 | 0 | 0 | 111.3 | I1887 V1897 L1921 C1922 V1926 | I1887-Y1924 HydrophobicContact CD1-CD2 4.21Å; I1887-Y1924 HydrophobicContact CD1-CE2 3.94Å; I1887-Y1924 HydrophobicContact CG1-CE2 4.38Å; I1887-Y1924 HydrophobicContact CG2-CE2 3.95Å; I1887-Y1924 WeakPolarHBondContact CG2-OH 3.36Å; V1897-Y1924 HydrophobicContact CB-CD1 3.61Å; V1897-Y1924 HydrophobicContact CB-CE1 3.86Å; V1897-Y1924 HydrophobicContact CB-CG 4.01Å; V1897-Y1924 HydrophobicContact CG1-CD1 3.75Å; V1897-Y1924 HydrophobicContact CG1-CD2 3.89Å; V1897-Y1924 HydrophobicContact CG1-CE1 4.15Å; V1897-Y1924 HydrophobicContact CG1-CE2 4.29Å; V1897-Y1924 HydrophobicContact CG1-CG 3.59Å; V1897-Y1924 HydrophobicContact CG2-CD1 4.47Å; V1897-Y1924 HydrophobicContact CG2-CE1 4.23Å; L1921-Y1924 PolarHBondContact O-N 3.05Å; C1922-Y1924 VanDerWaalsContact C-N 3.3Å; Y1924-V1926 PolarHBondContact O-N 3.47Å |
| 1925 | Q | 89.4 | Confident | 92.6 | Very high | 121 Ų | 121 | 39.3 Ų | 39.3 | 57% | 0.565 | 19% | 0.189 | S | C | * | . | trans | -82.9 | 92.1 | 175 | -68.5 | 179.2 | -8.4 | 0 | 0 | 109.9 | N1898 Q1899 | N1898-Q1925 CarbonylContact C-O 2.89Å; N1898-Q1925 HydrophobicContact CB-CB 4.45Å; N1898-Q1925 PolarHBondContact OD1-N 3.02Å; Q1899-Q1925 WeakPolarHBondContact CA-O 3.34Å; Q1899-Q1925 PolarHBondContact N-O 2.8Å | ||
| 1926 | V | 95.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 162.3 | -178.9 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | V1897 L1900 I1902 L1921 Y1924 L1928 I1951 | V1897-V1926 VanDerWaalsContact O-CG1 3.23Å; V1897-V1926 WeakPolarHBondContact O-CG1 3.42Å; L1900-V1926 VanDerWaalsContact O-CA 3.31Å; L1900-V1926 WeakPolarHBondContact O-CA 3.48Å; L1900-V1926 WeakPolarHBondContact O-CB 3.08Å; I1902-V1926 HydrophobicContact CD1-CB 4.35Å; I1902-V1926 HydrophobicContact CD1-CG1 3.97Å; L1921-V1926 HydrophobicContact CB-CG2 4.04Å; L1921-V1926 HydrophobicContact CD2-CG1 4.2Å; L1921-V1926 HydrophobicContact CD2-CG2 4.38Å; Y1924-V1926 PolarHBondContact O-N 3.47Å; V1926-L1928 HydrophobicContact CG2-CD2 3.94Å; V1926-L1928 HydrophobicContact CG2-CG 4.43Å; V1926-I1951 HydrophobicContact CG2-CD1 3.98Å; V1926-I1951 HydrophobicContact CG2-CG2 4.41Å |
| 1927 | T | 96.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.9 | 165.3 | -64.7 | 0 | 0 | 0 | 0 | 109 | L1900 T1901 I1902 T1952 | L1900-T1927 PolarHBondContact O-N 2.92Å; T1901-T1927 CarbonylContact C-O 3.58Å; T1901-T1927 WeakPolarHBondContact CA-O 3.36Å; T1901-T1927 HydrophobicContact CG2-CG2 4.37Å; I1902-T1927 PolarHBondContact N-O 3.11Å; T1927-T1952 HydrophobicContact CG2-CG2 4.02Å |
| 1928 | L | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.5 | 179.8 | -57.7 | -175 | 0 | 0 | 0 | 111.5 | I1902 A1918 L1921 V1926 Y1930 V1946 I1951 T1952 Q1953 K1954 | I1902-L1928 HydrophobicContact CB-CD2 4.08Å; I1902-L1928 WeakPolarHBondContact O-CA 3.24Å; A1918-L1928 HydrophobicContact CB-CD1 4.43Å; L1921-L1928 HydrophobicContact CD1-CD2 3.87Å; V1926-L1928 HydrophobicContact CG2-CD2 3.94Å; V1926-L1928 HydrophobicContact CG2-CG 4.43Å; L1928-Y1930 HydrophobicContact CB-CE1 3.94Å; L1928-Y1930 HydrophobicContact CD1-CE1 4.26Å; L1928-Y1930 WeakPolarHBondContact CD1-OH 3.23Å; L1928-V1946 HydrophobicContact CD1-CG1 3.97Å; L1928-I1951 HydrophobicContact CD1-CG2 4.23Å; L1928-I1951 HydrophobicContact CG-CG2 3.98Å; L1928-T1952 PolarHBondContact N-O 3.49Å; L1928-Q1953 HydrophobicContact CB-CG 4.33Å; L1928-Q1953 CarbonylContact O-C 3.49Å; L1928-Q1953 WeakPolarHBondContact O-CA 3.28Å; L1928-K1954 PolarHBondContact O-N 3.33Å |
| 1929 | L | 97.2 | Very high | 92 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.6 | 170.9 | -56.7 | 179.6 | 0 | 0 | 0 | 109.5 | T1901 I1902 A1903 L1904 K1954 A1961 Q1964 | T1901-L1929 HydrophobicContact CG2-CD1 3.65Å; T1901-L1929 HydrophobicContact CG2-CG 3.84Å; I1902-L1929 PolarHBondContact O-N 2.98Å; A1903-L1929 CarbonylContact C-O 3.45Å; A1903-L1929 WeakPolarHBondContact CA-O 3.37Å; A1903-L1929 HydrophobicContact CB-CB 4.08Å; L1904-L1929 PolarHBondContact N-O 3.02Å; L1929-K1954 CarbonylContact C-O 3.52Å; L1929-K1954 WeakPolarHBondContact CA-O 3.44Å; L1929-K1954 HydrophobicContact CD2-CB 3.88Å; L1929-A1961 HydrophobicContact CD1-CB 4.12Å; L1929-Q1964 HydrophobicContact CD1-CB 4.46Å |
| 1930 | Y | 96.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.1 | 178.5 | -59.1 | -35.1 | 0 | 0 | 0 | 110.6 | L1904 L1908 L1928 M1938 V1943 Q1953 K1954 K1955 S1956 | L1904-Y1930 HydrophobicContact CB-CD1 4.31Å; L1904-Y1930 HydrophobicContact CD1-CD1 4.21Å; L1904-Y1930 HydrophobicContact CD1-CE1 3.78Å; L1904-Y1930 HydrophobicContact CG-CD1 4.49Å; L1904-Y1930 HydrophobicContact CG-CE1 4.45Å; L1908-Y1930 HydrophobicContact CD1-CD1 4.16Å; L1908-Y1930 HydrophobicContact CD1-CG 4.22Å; L1928-Y1930 HydrophobicContact CB-CE1 3.94Å; L1928-Y1930 HydrophobicContact CD1-CE1 4.26Å; L1928-Y1930 WeakPolarHBondContact CD1-OH 3.23Å; Y1930-M1938 HydrophobicContact CD1-CE 3.85Å; Y1930-M1938 HydrophobicContact CD2-CB 4.37Å; Y1930-M1938 HydrophobicContact CE1-CE 3.5Å; Y1930-M1938 VanDerWaalsContact CE1-CE 3.5Å; Y1930-M1938 HydrophobicContact CE2-CB 4.41Å; Y1930-M1938 HydrophobicContact CE2-CG 4.42Å; Y1930-V1943 HydrophobicContact CE2-CG2 4.2Å; Y1930-Q1953 HydrophobicContact CE2-CB 4.01Å; Y1930-Q1953 HydrophobicContact CE2-CG 4.2Å; Y1930-Q1953 VanDerWaalsContact CE2-OE1 3.27Å; Y1930-Q1953 PolarHBondContact OH-OE1 3.1Å; Y1930-K1954 PolarHBondContact N-O 3.38Å; Y1930-K1955 WeakPolarHBondContact O-CA 3.46Å; Y1930-S1956 PolarHBondContact O-N 2.96Å |
| 1931 | V | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 96.8 | -179.1 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | L1904 V1905 G1906 L1958 A1961 Y1988 | L1904-V1931 PolarHBondContact O-N 2.94Å; V1905-V1931 CarbonylContact C-O 3.56Å; V1905-V1931 VanDerWaalsContact CA-O 3.26Å; V1905-V1931 WeakPolarHBondContact CA-O 3.45Å; V1905-V1931 HydrophobicContact CB-CB 4.31Å; V1905-V1931 HydrophobicContact CG1-CB 4.07Å; V1905-V1931 HydrophobicContact CG1-CG1 4Å; V1905-V1931 HydrophobicContact CG2-CB 4.01Å; V1905-V1931 HydrophobicContact CG2-CG2 4.3Å; G1906-V1931 PolarHBondContact N-O 3.34Å; V1931-L1958 HydrophobicContact CG1-CB 4.05Å; V1931-A1961 HydrophobicContact CG2-CB 3.94Å; V1931-Y1988 HydrophobicContact CG1-CD1 4.1Å; V1931-Y1988 HydrophobicContact CG1-CE1 4.15Å |
| 1932 | S | 91.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | trans | -145.6 | 156.1 | -177.6 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | G1906 E1937 Y1988 | G1906-S1932 WeakPolarHBondContact O-CB 3.48Å; S1932-E1937 WeakPolarHBondContact OG-CA 3.44Å; S1932-Y1988 PolarHBondContact O-OH 3.2Å | ||
| 1933 | P | 86.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | trans | -55.7 | 148.7 | 161.7 | -20.7 | 32.1 | 0 | 0 | 0 | 111.2 | E1935 L1936 E1937 L1973 F1978 V1983 Y1988 | P1933-E1935 PolarHBondContact O-N 2.71Å; P1933-E1935 VanDerWaalsContact O-N 3.11Å; P1933-L1936 CarbonylContact O-C 3.57Å; P1933-L1936 PolarHBondContact O-N 3.5Å; P1933-E1937 PolarHBondContact O-N 2.96Å; P1933-L1973 HydrophobicContact CG-CD2 3.98Å; P1933-F1978 HydrophobicContact CB-CE1 4.14Å; P1933-F1978 HydrophobicContact CG-CE1 4.24Å; P1933-F1978 HydrophobicContact CG-CZ 4.13Å; P1933-V1983 HydrophobicContact CB-CG1 4.17Å; P1933-V1983 HydrophobicContact CG-CG1 3.96Å; P1933-Y1988 WeakPolarHBondContact CA-OH 3.46Å; P1933-Y1988 HydrophobicContact CB-CE2 4.5Å; P1933-Y1988 HydrophobicContact CG-CD2 4.28Å; P1933-Y1988 HydrophobicContact CG-CE1 4.38Å; P1933-Y1988 HydrophobicContact CG-CE2 3.78Å | ||
| 1934 | E | 82.9 | Confident | 91.5 | Very high | 176 Ų | 176 | 48 Ų | 48 | 82% | 0.822 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -55.3 | -31.8 | -179 | -71.7 | -177.1 | 168.6 | 0 | 0 | 113.1 | L1936 | E1934-L1936 VanDerWaalsContact C-N 3.3Å; E1934-L1936 PolarHBondContact O-N 3.04Å |
| 1935 | E | 82.6 | Confident | 91.5 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -75.2 | -17.4 | -179.7 | -61.3 | 176.7 | -174.9 | 0 | 0 | 113.7 | P1933 F1978 | P1933-E1935 PolarHBondContact O-N 2.71Å; P1933-E1935 VanDerWaalsContact O-N 3.11Å; E1935-F1978 WeakPolarHBondContact OE2-CD1 3.24Å |
| 1936 | L | 88.3 | Confident | 91.7 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -122.5 | 27.1 | -172.4 | -59.5 | -177.2 | 0 | 0 | 0 | 113.3 | D1907 L1908 K1909 P1933 E1934 L1973 F1978 | D1907-L1936 HydrophobicContact CB-CD1 3.91Å; L1908-L1936 PolarHBondContact N-O 2.73Å; L1908-L1936 VanDerWaalsContact N-O 3.16Å; K1909-L1936 PolarHBondContact N-O 3.17Å; K1909-L1936 VanDerWaalsContact N-O 3.15Å; P1933-L1936 CarbonylContact O-C 3.57Å; P1933-L1936 PolarHBondContact O-N 3.5Å; E1934-L1936 VanDerWaalsContact C-N 3.3Å; E1934-L1936 PolarHBondContact O-N 3.04Å; L1936-L1973 HydrophobicContact CD1-CD2 3.79Å; L1936-F1978 HydrophobicContact CD1-CE1 3.81Å; L1936-F1978 HydrophobicContact CD1-CE2 3.9Å; L1936-F1978 HydrophobicContact CD1-CZ 3.26Å; L1936-F1978 HydrophobicContact CG-CE1 4.1Å; L1936-F1978 HydrophobicContact CG-CZ 4.07Å |
| 1937 | E | 90.9 | Very high | 91.4 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -63 | 155.8 | 176.6 | -67 | -172.3 | 161.3 | 0 | 0 | 113.7 | K1909 S1932 P1933 K1955 | K1909-E1937 WeakPolarHBondContact CA-O 3.44Å; K1909-E1937 VanDerWaalsContact CB-O 3.28Å; K1909-E1937 WeakPolarHBondContact CB-O 3.39Å; S1932-E1937 WeakPolarHBondContact OG-CA 3.44Å; P1933-E1937 PolarHBondContact O-N 2.96Å; E1937-K1955 IonicContact OE1-NZ 2.69Å; E1937-K1955 PolarHBondContact OE1-NZ 3.46Å; E1937-K1955 IonicContact OE2-NZ 2.65Å; E1937-K1955 PolarHBondContact OE2-NZ 3.21Å |
| 1938 | M | 93.1 | Very high | 91 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 131.9 | 175.5 | -171.2 | 70.8 | 71.3 | 0 | 0 | 110.6 | L1904 L1908 V1914 Y1930 V1942 V1943 | L1904-M1938 HydrophobicContact CD1-CE 3.98Å; L1908-M1938 HydrophobicContact CB-CB 4.3Å; L1908-M1938 HydrophobicContact CB-CE 4.15Å; L1908-M1938 HydrophobicContact CB-SD 4.42Å; L1908-M1938 HydrophobicContact CD1-CE 4.32Å; V1914-M1938 HydrophobicContact CG1-CE 3.31Å; V1914-M1938 HydrophobicContact CG1-SD 4.01Å; Y1930-M1938 HydrophobicContact CD1-CE 3.85Å; Y1930-M1938 HydrophobicContact CD2-CB 4.37Å; Y1930-M1938 HydrophobicContact CE1-CE 3.5Å; Y1930-M1938 VanDerWaalsContact CE1-CE 3.5Å; Y1930-M1938 HydrophobicContact CE2-CB 4.41Å; Y1930-M1938 HydrophobicContact CE2-CG 4.42Å; M1938-V1942 HydrophobicContact CG-CB 4.1Å; M1938-V1942 HydrophobicContact CG-CG1 4.14Å; M1938-V1942 HydrophobicContact SD-CB 4.09Å; M1938-V1942 HydrophobicContact SD-CG1 3.76Å; M1938-V1943 HydrophobicContact CB-CG2 3.86Å; M1938-V1943 HydrophobicContact CG-CG2 3.62Å |
| 1939 | P | 91.2 | Very high | 90.7 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 142.4 | 179.2 | -25 | 37.5 | 0 | 0 | 0 | 111.9 | L1908 K1909 D1941 V1942 V1943 | L1908-P1939 WeakPolarHBondContact O-CD 3.42Å; K1909-P1939 WeakPolarHBondContact O-CG 3.3Å; P1939-D1941 WeakPolarHBondContact CB-OD1 3.39Å; P1939-D1941 PolarHBondContact O-N 3.44Å; P1939-V1942 HydrophobicContact CB-CG2 4.34Å; P1939-V1942 PolarHBondContact O-N 3.33Å; P1939-V1942 VanDerWaalsContact O-N 3.09Å; P1939-V1943 PolarHBondContact O-N 3.25Å; P1939-V1943 VanDerWaalsContact O-N 3.11Å |
| 1940 | S | 90.4 | Very high | 90.2 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.3 | -32 | -176 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | N1944 | S1940-N1944 VanDerWaalsContact O-CB 3.22Å; S1940-N1944 WeakPolarHBondContact O-CB 3.46Å; S1940-N1944 PolarHBondContact O-N 2.9Å; S1940-N1944 PolarHBondContact O-ND2 3Å; S1940-N1944 VanDerWaalsContact O-ND2 3.1Å |
| 1941 | D | 89.2 | Confident | 90 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 58% | 0.578 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | 176 | 58.4 | -55.5 | 0 | 0 | 0 | 112.4 | P1939 Y1945 | P1939-D1941 WeakPolarHBondContact CB-OD1 3.39Å; P1939-D1941 PolarHBondContact O-N 3.44Å; D1941-Y1945 WeakPolarHBondContact O-CB 3.39Å; D1941-Y1945 PolarHBondContact O-N 2.69Å |
| 1942 | V | 90.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -44.8 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | H1915 A1918 M1938 P1939 N1944 Y1945 V1946 | H1915-V1942 HydrophobicContact CB-CG2 4.36Å; A1918-V1942 HydrophobicContact CB-CG1 4.18Å; M1938-V1942 HydrophobicContact CG-CB 4.1Å; M1938-V1942 HydrophobicContact CG-CG1 4.14Å; M1938-V1942 HydrophobicContact SD-CB 4.09Å; M1938-V1942 HydrophobicContact SD-CG1 3.76Å; P1939-V1942 HydrophobicContact CB-CG2 4.34Å; P1939-V1942 PolarHBondContact O-N 3.33Å; P1939-V1942 VanDerWaalsContact O-N 3.09Å; V1942-N1944 VanDerWaalsContact C-N 3.3Å; V1942-N1944 PolarHBondContact O-N 3.3Å; V1942-Y1945 WeakPolarHBondContact O-CB 3.15Å; V1942-Y1945 PolarHBondContact O-N 2.82Å; V1942-V1946 WeakPolarHBondContact O-CG2 3.4Å; V1942-V1946 PolarHBondContact O-N 3.12Å |
| 1943 | V | 92.8 | Very high | 90 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | Y1930 M1938 P1939 V1946 N1947 Q1953 | Y1930-V1943 HydrophobicContact CE2-CG2 4.2Å; M1938-V1943 HydrophobicContact CB-CG2 3.86Å; M1938-V1943 HydrophobicContact CG-CG2 3.62Å; P1939-V1943 PolarHBondContact O-N 3.25Å; P1939-V1943 VanDerWaalsContact O-N 3.11Å; V1943-V1946 PolarHBondContact O-N 3.34Å; V1943-N1947 WeakPolarHBondContact O-CB 3.2Å; V1943-N1947 PolarHBondContact O-N 2.94Å; V1943-N1947 PolarHBondContact O-ND2 2.88Å; V1943-Q1953 PolarHBondContact O-NE2 3.34Å; V1943-Q1953 VanDerWaalsContact O-NE2 3.08Å |
| 1944 | N | 92.8 | Very high | 90.4 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 176.7 | -71.8 | -20.7 | 0 | 0 | 0 | 112 | S1940 V1942 N1947 G1948 | S1940-N1944 VanDerWaalsContact O-CB 3.22Å; S1940-N1944 WeakPolarHBondContact O-CB 3.46Å; S1940-N1944 PolarHBondContact O-N 2.9Å; S1940-N1944 PolarHBondContact O-ND2 3Å; S1940-N1944 VanDerWaalsContact O-ND2 3.1Å; V1942-N1944 VanDerWaalsContact C-N 3.3Å; V1942-N1944 PolarHBondContact O-N 3.3Å; N1944-N1947 PolarHBondContact O-N 2.73Å; N1944-G1948 PolarHBondContact O-N 3.12Å |
| 1945 | Y | 92.5 | Very high | 90.8 | Very high | 91 Ų | 91 | 65 Ų | 65 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -51.4 | 174.1 | -178.7 | -88.2 | 0 | 0 | 0 | 110.9 | K1919 D1941 V1942 N1947 G1948 Y1949 | K1919-Y1945 HydrophobicContact CB-CD1 4.28Å; K1919-Y1945 HydrophobicContact CB-CE1 3.77Å; K1919-Y1945 HydrophobicContact CG-CD1 3.74Å; K1919-Y1945 HydrophobicContact CG-CE1 3.66Å; K1919-Y1945 HydrophobicContact CG-CG 4.46Å; D1941-Y1945 WeakPolarHBondContact O-CB 3.39Å; D1941-Y1945 PolarHBondContact O-N 2.69Å; V1942-Y1945 WeakPolarHBondContact O-CB 3.15Å; V1942-Y1945 PolarHBondContact O-N 2.82Å; Y1945-N1947 VanDerWaalsContact C-N 3.33Å; Y1945-N1947 PolarHBondContact O-N 3.2Å; Y1945-G1948 WeakPolarHBondContact O-CA 3.19Å; Y1945-G1948 PolarHBondContact O-N 3.49Å; Y1945-Y1949 HydrophobicContact CD1-CD2 4.45Å; Y1945-Y1949 HydrophobicContact CD1-CE2 4.24Å; Y1945-Y1949 HydrophobicContact CE1-CD2 4.16Å; Y1945-Y1949 AromaticContact CE1-CE2 3.65Å; Y1945-Y1949 HydrophobicContact CE1-CE2 3.65Å; Y1945-Y1949 HydrophobicContact CE2-CE2 4.01Å; Y1945-Y1949 AromaticContact CZ-CE2 3.52Å; Y1945-Y1949 WeakPolarHBondContact O-CD2 3.47Å; Y1945-Y1949 PolarHBondContact OH-OH 3.16Å |
| 1946 | V | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 179.4 | 177 | 0 | 0 | 0 | 0 | 111.6 | A1918 L1928 V1942 V1943 G1948 Y1949 I1951 Q1953 | A1918-V1946 HydrophobicContact CB-CG2 4.17Å; L1928-V1946 HydrophobicContact CD1-CG1 3.97Å; V1942-V1946 WeakPolarHBondContact O-CG2 3.4Å; V1942-V1946 PolarHBondContact O-N 3.12Å; V1943-V1946 PolarHBondContact O-N 3.34Å; V1946-G1948 PolarHBondContact O-N 3.18Å; V1946-Y1949 PolarHBondContact O-N 2.9Å; V1946-I1951 HydrophobicContact CG1-CB 3.66Å; V1946-I1951 HydrophobicContact CG1-CG2 3.67Å; V1946-Q1953 HydrophobicContact CG1-CG 3.76Å |
| 1947 | N | 90.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 66.3 Ų | 66.3 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 173.7 | -83.4 | -27.1 | 0 | 0 | 0 | 112.3 | V1943 N1944 Y1945 Y1949 G1950 Q1953 | V1943-N1947 WeakPolarHBondContact O-CB 3.2Å; V1943-N1947 PolarHBondContact O-N 2.94Å; V1943-N1947 PolarHBondContact O-ND2 2.88Å; N1944-N1947 PolarHBondContact O-N 2.73Å; Y1945-N1947 VanDerWaalsContact C-N 3.33Å; Y1945-N1947 PolarHBondContact O-N 3.2Å; N1947-Y1949 PolarHBondContact O-N 3.01Å; N1947-G1950 PolarHBondContact O-N 2.89Å; N1947-Q1953 PolarHBondContact OD1-NE2 2.9Å |
| 1948 | G | 88.5 | Confident | 91.5 | Very high | 69 Ų | 69 | 63.6 Ų | 63.6 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.4 | -21.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | N1944 Y1945 V1946 | N1944-G1948 PolarHBondContact O-N 3.12Å; Y1945-G1948 WeakPolarHBondContact O-CA 3.19Å; Y1945-G1948 PolarHBondContact O-N 3.49Å; V1946-G1948 PolarHBondContact O-N 3.18Å |
| 1949 | Y | 90 | Very high | 91.2 | Very high | 119 Ų | 119 | 69 Ų | 69 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 4.1 | 175.4 | -72 | -101.6 | 0 | 0 | 0 | 113.2 | C1922 Y1945 V1946 N1947 I1951 | C1922-Y1949 HydrophobicContact CB-CD1 3.7Å; C1922-Y1949 HydrophobicContact CB-CD2 3.91Å; C1922-Y1949 HydrophobicContact CB-CE1 4.13Å; C1922-Y1949 HydrophobicContact CB-CE2 4.34Å; C1922-Y1949 HydrophobicContact CB-CG 3.57Å; Y1945-Y1949 HydrophobicContact CD1-CD2 4.45Å; Y1945-Y1949 HydrophobicContact CD1-CE2 4.24Å; Y1945-Y1949 HydrophobicContact CE1-CD2 4.16Å; Y1945-Y1949 AromaticContact CE1-CE2 3.65Å; Y1945-Y1949 HydrophobicContact CE1-CE2 3.65Å; Y1945-Y1949 HydrophobicContact CE2-CE2 4.01Å; Y1945-Y1949 AromaticContact CZ-CE2 3.52Å; Y1945-Y1949 WeakPolarHBondContact O-CD2 3.47Å; Y1945-Y1949 PolarHBondContact OH-OH 3.16Å; V1946-Y1949 PolarHBondContact O-N 2.9Å; N1947-Y1949 PolarHBondContact O-N 3.01Å; Y1949-I1951 VanDerWaalsContact C-N 3.28Å; Y1949-I1951 PolarHBondContact O-N 3.03Å |
| 1950 | G | 87.1 | Confident | 91.2 | Very high | 67 Ų | 67 | 69.8 Ų | 69.8 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 18 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1947 | N1947-G1950 PolarHBondContact O-N 2.89Š|
| 1951 | I | 91.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 8% | 0.077 | 37% | 0.369 | C | S | . | . | trans | -76.2 | 134.9 | 177.5 | -75 | -175.5 | 0 | 0 | 0 | 110.8 | L1921 C1922 V1926 L1928 V1946 Y1949 Q1953 | L1921-I1951 WeakPolarHBondContact O-CD1 3.45Å; C1922-I1951 VanDerWaalsContact CA-CD1 3.49Å; C1922-I1951 HydrophobicContact CB-CD1 4.35Å; V1926-I1951 HydrophobicContact CG2-CD1 3.98Å; V1926-I1951 HydrophobicContact CG2-CG2 4.41Å; L1928-I1951 HydrophobicContact CD1-CG2 4.23Å; L1928-I1951 HydrophobicContact CG-CG2 3.98Å; V1946-I1951 HydrophobicContact CG1-CB 3.66Å; V1946-I1951 HydrophobicContact CG1-CG2 3.67Å; Y1949-I1951 VanDerWaalsContact C-N 3.28Å; Y1949-I1951 PolarHBondContact O-N 3.03Å; I1951-Q1953 HydrophobicContact CG2-CG 4.44Å; I1951-Q1953 PolarHBondContact O-N 3.16Å | ||
| 1952 | T | 92.1 | Very high | 91.4 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.7 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | T1927 L1928 | T1927-T1952 HydrophobicContact CG2-CG2 4.02Å; L1928-T1952 PolarHBondContact N-O 3.49Å |
| 1953 | Q | 94.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 63.3 Ų | 63.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.7 | 179.5 | -61.4 | 172.5 | 76.9 | 0 | 0 | 109.8 | L1928 Y1930 V1943 V1946 N1947 I1951 | L1928-Q1953 HydrophobicContact CB-CG 4.33Å; L1928-Q1953 CarbonylContact O-C 3.49Å; L1928-Q1953 WeakPolarHBondContact O-CA 3.28Å; Y1930-Q1953 HydrophobicContact CE2-CB 4.01Å; Y1930-Q1953 HydrophobicContact CE2-CG 4.2Å; Y1930-Q1953 VanDerWaalsContact CE2-OE1 3.27Å; Y1930-Q1953 PolarHBondContact OH-OE1 3.1Å; V1943-Q1953 PolarHBondContact O-NE2 3.34Å; V1943-Q1953 VanDerWaalsContact O-NE2 3.08Å; V1946-Q1953 HydrophobicContact CG1-CG 3.76Å; N1947-Q1953 PolarHBondContact OD1-NE2 2.9Å; I1951-Q1953 HydrophobicContact CG2-CG 4.44Å; I1951-Q1953 PolarHBondContact O-N 3.16Å |
| 1954 | K | 93.3 | Very high | 91.2 | Very high | 129 Ų | 129 | 66.7 Ų | 66.7 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.6 | 176.5 | -63.8 | 179.6 | -178.2 | 173.4 | 0 | 111.6 | L1928 L1929 Y1930 | L1928-K1954 PolarHBondContact O-N 3.33Å; L1929-K1954 CarbonylContact C-O 3.52Å; L1929-K1954 WeakPolarHBondContact CA-O 3.44Å; L1929-K1954 HydrophobicContact CD2-CB 3.88Å; Y1930-K1954 PolarHBondContact N-O 3.38Å |
| 1955 | K | 92.8 | Very high | 91.3 | Very high | 145 Ų | 145 | 61.8 Ų | 61.8 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 140.3 | 166.9 | -65.3 | -175.9 | 177.6 | -173.4 | 0 | 109.6 | Y1930 E1937 | Y1930-K1955 WeakPolarHBondContact O-CA 3.46Å; E1937-K1955 IonicContact OE1-NZ 2.69Å; E1937-K1955 PolarHBondContact OE1-NZ 3.46Å; E1937-K1955 IonicContact OE2-NZ 2.65Å; E1937-K1955 PolarHBondContact OE2-NZ 3.21Å |
| 1956 | S | 92.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 59 Ų | 59 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | trans | -145.9 | 167.5 | -180 | -166.1 | 0 | 0 | 0 | 0 | 111.5 | Y1930 | Y1930-S1956 PolarHBondContact O-N 2.96Š| ||
| 1957 | T | 91.7 | Very high | 91.7 | Very high | 91 Ų | 91 | 59 Ų | 59 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | trans | -95.8 | 158.2 | 165.5 | 64 | 0 | 0 | 0 | 0 | 109.7 | L1959 A1960 A1961 | T1957-L1959 PolarHBondContact O-N 2.93Å; T1957-A1960 PolarHBondContact O-N 3.34Å; T1957-A1960 VanDerWaalsContact O-N 3.1Å; T1957-A1960 WeakPolarHBondContact OG1-CB 3.32Å; T1957-A1960 PolarHBondContact OG1-N 3.43Å; T1957-A1961 WeakPolarHBondContact O-CB 3.3Å; T1957-A1961 PolarHBondContact O-N 3.23Å | ||
| 1958 | L | 90.8 | Very high | 92 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | -177.7 | -178.4 | 58.3 | 0 | 0 | 0 | 111.8 | V1905 V1931 A1960 A1961 I1962 L1968 K1989 V1990 | V1905-L1958 HydrophobicContact CG1-CD1 4.2Å; V1905-L1958 HydrophobicContact CG2-CD1 4.23Å; V1931-L1958 HydrophobicContact CG1-CB 4.05Å; L1958-A1960 VanDerWaalsContact C-N 3.28Å; L1958-A1960 PolarHBondContact O-N 3.02Å; L1958-A1961 PolarHBondContact O-N 2.85Å; L1958-I1962 HydrophobicContact CD1-CD1 3.97Å; L1958-I1962 HydrophobicContact CD1-CG1 4.14Å; L1958-I1962 HydrophobicContact CG-CD1 3.91Å; L1958-I1962 VanDerWaalsContact O-CG1 3.31Å; L1958-I1962 WeakPolarHBondContact O-CG1 3.19Å; L1958-I1962 PolarHBondContact O-N 2.9Å; L1958-I1962 VanDerWaalsContact O-N 3.11Å; L1958-L1968 HydrophobicContact CD1-CD1 4.07Å; L1958-L1968 HydrophobicContact CD1-CD2 4.41Å; L1958-K1989 WeakPolarHBondContact CD2-O 3.47Å; L1958-V1990 HydrophobicContact CD1-CG2 4.34Å; L1958-V1990 HydrophobicContact CD2-CG2 4.18Å |
| 1959 | L | 88.5 | Confident | 92.4 | Very high | 131 Ų | 131 | 51.6 Ų | 51.6 | 69% | 0.686 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.3 | -31.3 | 178.4 | -68.7 | 173.2 | 0 | 0 | 0 | 113.6 | T1957 P1963 | T1957-L1959 PolarHBondContact O-N 2.93Å; L1959-P1963 VanDerWaalsContact O-CD 3.29Å; L1959-P1963 WeakPolarHBondContact O-CD 3.16Å |
| 1960 | A | 89.5 | Confident | 92.6 | Very high | 41 Ų | 41 | 46 Ų | 46 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -81.2 | -28.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1957 L1958 Q1964 | T1957-A1960 PolarHBondContact O-N 3.34Å; T1957-A1960 VanDerWaalsContact O-N 3.1Å; T1957-A1960 WeakPolarHBondContact OG1-CB 3.32Å; T1957-A1960 PolarHBondContact OG1-N 3.43Å; L1958-A1960 VanDerWaalsContact C-N 3.28Å; L1958-A1960 PolarHBondContact O-N 3.02Å; A1960-Q1964 PolarHBondContact O-NE2 3.25Å |
| 1961 | A | 91.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.3 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1903 L1929 V1931 T1957 L1958 Q1964 C1965 | A1903-A1961 HydrophobicContact CB-CB 4.14Å; L1929-A1961 HydrophobicContact CD1-CB 4.12Å; V1931-A1961 HydrophobicContact CG2-CB 3.94Å; T1957-A1961 WeakPolarHBondContact O-CB 3.3Å; T1957-A1961 PolarHBondContact O-N 3.23Å; L1958-A1961 PolarHBondContact O-N 2.85Å; A1961-Q1964 PolarHBondContact O-N 3.03Å; A1961-C1965 PolarHBondContact O-N 3.16Å; A1961-C1965 PolarHBondContact O-SG 3.36Å; A1961-C1965 VanDerWaalsContact O-SG 3.34Å |
| 1962 | I | 92.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -45.1 | -173.2 | -73.9 | 166 | 0 | 0 | 0 | 114.3 | L1958 Q1964 L1968 S1994 L1995 A1998 | L1958-I1962 HydrophobicContact CD1-CD1 3.97Å; L1958-I1962 HydrophobicContact CD1-CG1 4.14Å; L1958-I1962 HydrophobicContact CG-CD1 3.91Å; L1958-I1962 VanDerWaalsContact O-CG1 3.31Å; L1958-I1962 WeakPolarHBondContact O-CG1 3.19Å; L1958-I1962 PolarHBondContact O-N 2.9Å; L1958-I1962 VanDerWaalsContact O-N 3.11Å; I1962-Q1964 PolarHBondContact O-N 2.89Å; I1962-L1968 HydrophobicContact CG1-CD2 4.26Å; I1962-S1994 WeakPolarHBondContact CD1-O 3.12Å; I1962-L1995 HydrophobicContact CD1-CD2 4.2Å; I1962-L1995 HydrophobicContact CG1-CD2 4.38Å; I1962-L1995 HydrophobicContact CG2-CD2 4.18Å; I1962-A1998 HydrophobicContact CG2-CB 3.62Å |
| 1963 | P | 89.7 | Confident | 92 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.6 | 179 | -19 | 32.3 | 0 | 0 | 0 | 113.9 | L1959 N1997 | L1959-P1963 VanDerWaalsContact O-CD 3.29Å; L1959-P1963 WeakPolarHBondContact O-CD 3.16Å; P1963-N1997 WeakPolarHBondContact CA-O 3.41Å; P1963-N1997 HydrophobicContact CG-CB 4.42Å |
| 1964 | Q | 90.1 | Very high | 91.1 | Very high | 108 Ų | 108 | 44.6 Ų | 44.6 | 51% | 0.505 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -31.7 | -171 | -63.4 | 179.3 | 65.3 | 0 | 0 | 112.8 | L1929 A1960 A1961 I1962 K1999 | L1929-Q1964 HydrophobicContact CD1-CB 4.46Å; A1960-Q1964 PolarHBondContact O-NE2 3.25Å; A1961-Q1964 PolarHBondContact O-N 3.03Å; I1962-Q1964 PolarHBondContact O-N 2.89Å; Q1964-K1999 WeakPolarHBondContact O-CE 3.46Å; Q1964-K1999 PolarHBondContact O-NZ 3.32Å |
| 1965 | C | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -81.2 | 147 | -177.3 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | T1901 A1903 A1961 M2002 | T1901-C1965 HydrophobicContact CG2-CB 4.37Å; T1901-C1965 CarbonylContact O-C 3.6Å; T1901-C1965 VanDerWaalsContact O-CA 3.29Å; T1901-C1965 WeakPolarHBondContact O-CA 3.4Å; T1901-C1965 WeakPolarHBondContact O-CB 3.38Å; A1903-C1965 HydrophobicContact CB-CB 3.83Å; A1961-C1965 PolarHBondContact O-N 3.16Å; A1961-C1965 PolarHBondContact O-SG 3.36Å; A1961-C1965 VanDerWaalsContact O-SG 3.34Å; C1965-M2002 WeakPolarHBondContact O-CG 3.44Å | ||
| 1966 | D | 96.5 | Very high | 88.9 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -93.3 | -26.4 | 169.3 | -50.8 | -70.8 | 0 | 0 | 0 | 110.5 | I1894 L1900 T1901 K1999 M2002 I2003 | I1894-D1966 HydrophobicContact CD1-CB 4.47Å; L1900-D1966 HydrophobicContact CB-CB 4.38Å; L1900-D1966 HydrophobicContact CD2-CB 3.96Å; T1901-D1966 PolarHBondContact N-OD2 3.5Å; T1901-D1966 PolarHBondContact O-N 3.01Å; D1966-K1999 VanDerWaalsContact CG-NZ 3.34Å; D1966-K1999 VanDerWaalsContact OD1-CD 3.27Å; D1966-K1999 WeakPolarHBondContact OD1-CD 3.38Å; D1966-K1999 IonicContact OD1-NZ 3.92Å; D1966-K1999 PolarHBondContact OD1-NZ 3.36Å; D1966-K1999 IonicContact OD2-NZ 3.7Å; D1966-K1999 PolarHBondContact OD2-NZ 3.15Å; D1966-M2002 CarbonylContact O-C 3.56Å; D1966-M2002 VanDerWaalsContact O-CA 3.24Å; D1966-M2002 WeakPolarHBondContact O-CA 3.34Å; D1966-M2002 WeakPolarHBondContact O-CG 3.27Å; D1966-I2003 PolarHBondContact O-N 3.14Å |
| 1967 | V | 97.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124 | 176 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I1890 I1894 L1900 T1901 I1902 A1903 I2003 M2005 | I1890-V1967 HydrophobicContact CD1-CG1 4.41Å; I1890-V1967 HydrophobicContact CD1-CG2 4.41Å; I1890-V1967 HydrophobicContact CG1-CG1 4.36Å; I1890-V1967 HydrophobicContact CG1-CG2 4.14Å; I1890-V1967 HydrophobicContact CG2-CG2 4.23Å; I1894-V1967 HydrophobicContact CD1-CG2 3.46Å; I1894-V1967 VanDerWaalsContact CD1-CG2 3.46Å; L1900-V1967 HydrophobicContact CD1-CG2 4.31Å; T1901-V1967 PolarHBondContact O-N 2.78Å; I1902-V1967 WeakPolarHBondContact CA-O 3.43Å; I1902-V1967 HydrophobicContact CB-CB 4.42Å; I1902-V1967 HydrophobicContact CG1-CB 4.09Å; I1902-V1967 HydrophobicContact CG1-CG2 4.28Å; I1902-V1967 HydrophobicContact CG2-CB 4.13Å; I1902-V1967 HydrophobicContact CG2-CG1 4.24Å; A1903-V1967 PolarHBondContact N-O 3.23Å; V1967-I2003 HydrophobicContact CB-CG1 4.39Å; V1967-I2003 HydrophobicContact CG1-CG1 4.17Å; V1967-I2003 HydrophobicContact CG2-CD1 4.22Å; V1967-I2003 HydrophobicContact CG2-CG1 4.04Å; V1967-M2005 HydrophobicContact CG1-CG 4.35Å; V1967-M2005 HydrophobicContact CG1-SD 3.64Å |
| 1968 | L | 96.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 99.3 | 172.1 | -171.5 | 68.8 | 0 | 0 | 0 | 109.1 | A1903 V1905 L1958 I1962 M1970 V1990 L1995 M2002 I2003 V2004 M2005 | A1903-L1968 HydrophobicContact CB-CD1 3.84Å; V1905-L1968 HydrophobicContact CG2-CD1 3.58Å; V1905-L1968 HydrophobicContact CG2-CG 4.4Å; L1958-L1968 HydrophobicContact CD1-CD1 4.07Å; L1958-L1968 HydrophobicContact CD1-CD2 4.41Å; I1962-L1968 HydrophobicContact CG1-CD2 4.26Å; L1968-M1970 HydrophobicContact CD2-SD 4.34Å; L1968-M1970 HydrophobicContact CG-CG 4.34Å; L1968-M1970 HydrophobicContact CG-SD 4.26Å; L1968-V1990 HydrophobicContact CD2-CG2 3.78Å; L1968-L1995 HydrophobicContact CD2-CD2 4.29Å; L1968-M2002 HydrophobicContact CB-CE 4.29Å; L1968-M2002 HydrophobicContact CB-SD 4.19Å; L1968-M2002 HydrophobicContact CD2-CE 4.46Å; L1968-I2003 PolarHBondContact N-O 2.9Å; L1968-V2004 HydrophobicContact CB-CG2 4.35Å; L1968-V2004 HydrophobicContact CD2-CG1 4.5Å; L1968-V2004 HydrophobicContact CD2-CG2 4.25Å; L1968-V2004 WeakPolarHBondContact O-CA 3.38Å; L1968-M2005 PolarHBondContact O-N 2.87Å |
| 1969 | Y | 96.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 103.3 | 179.8 | -166.8 | -82.9 | 0 | 0 | 0 | 110.3 | D1886 A1903 L1904 V1905 V1914 L1917 T1971 M2005 P2007 | D1886-Y1969 HydrophobicContact CB-CE2 4.26Å; D1886-Y1969 WeakPolarHBondContact OD2-CE2 3.2Å; D1886-Y1969 VanDerWaalsContact OD2-CZ 3.3Å; D1886-Y1969 PolarHBondContact OD2-OH 3.12Å; A1903-Y1969 PolarHBondContact O-N 3.26Å; L1904-Y1969 HydrophobicContact CD2-CD1 4.32Å; L1904-Y1969 HydrophobicContact CD2-CG 4.2Å; V1905-Y1969 PolarHBondContact N-O 2.81Å; V1914-Y1969 HydrophobicContact CG2-CD1 4.33Å; V1914-Y1969 HydrophobicContact CG2-CE1 4.12Å; L1917-Y1969 HydrophobicContact CD2-CD1 4.45Å; L1917-Y1969 HydrophobicContact CD2-CD2 3.67Å; L1917-Y1969 HydrophobicContact CD2-CE1 4.44Å; L1917-Y1969 HydrophobicContact CD2-CE2 3.63Å; L1917-Y1969 HydrophobicContact CD2-CG 4.08Å; Y1969-T1971 HydrophobicContact CD1-CG2 4.12Å; Y1969-T1971 HydrophobicContact CE1-CG2 3.9Å; Y1969-M2005 HydrophobicContact CD2-CB 3.75Å; Y1969-M2005 HydrophobicContact CD2-CE 4.22Å; Y1969-M2005 HydrophobicContact CD2-SD 4.46Å; Y1969-M2005 HydrophobicContact CE2-CB 4.33Å; Y1969-M2005 HydrophobicContact CE2-CE 4.25Å; Y1969-M2005 HydrophobicContact CG-CB 4.5Å; Y1969-P2007 HydrophobicContact CE1-CG 4.29Å |
| 1970 | M | 94.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 146.9 | -177.8 | -66.5 | -70.3 | -65.2 | 0 | 0 | 111 | V1905 L1968 Y1988 V1990 V2004 M2005 H2006 P2007 E2013 I2014 | V1905-M1970 HydrophobicContact CB-SD 3.6Å; V1905-M1970 HydrophobicContact CG1-CE 4.29Å; V1905-M1970 HydrophobicContact CG1-SD 3.7Å; V1905-M1970 HydrophobicContact CG2-SD 3.96Å; V1905-M1970 CarbonylContact O-C 3.5Å; L1968-M1970 HydrophobicContact CD2-SD 4.34Å; L1968-M1970 HydrophobicContact CG-CG 4.34Å; L1968-M1970 HydrophobicContact CG-SD 4.26Å; M1970-Y1988 WeakPolarHBondContact CE-O 3.37Å; M1970-V1990 HydrophobicContact CE-CB 4.32Å; M1970-V1990 HydrophobicContact CE-CG2 3.57Å; M1970-V1990 HydrophobicContact CG-CG2 4.21Å; M1970-V1990 HydrophobicContact SD-CG2 3.48Å; M1970-V1990 WeakPolarHBondContact SD-CG2 3.4Å; M1970-V2004 HydrophobicContact CG-CG1 4.09Å; M1970-M2005 PolarHBondContact N-O 3.25Å; M1970-H2006 VanDerWaalsContact C-CD2 3.4Å; M1970-H2006 HydrophobicContact CB-CB 4.48Å; M1970-H2006 PolarHBondContact O-CD2 3.04Å; M1970-P2007 VanDerWaalsContact O-CD 3.25Å; M1970-P2007 WeakPolarHBondContact O-CD 3.29Å; M1970-E2013 HydrophobicContact CE-CB 4.19Å; M1970-E2013 HydrophobicContact CE-CG 4.45Å; M1970-E2013 WeakPolarHBondContact CE-O 3.29Å; M1970-I2014 HydrophobicContact CB-CD1 3.95Å; M1970-I2014 HydrophobicContact CB-CG1 4.31Å; M1970-I2014 HydrophobicContact CE-CG1 4.27Å; M1970-I2014 HydrophobicContact CG-CD1 4.1Å; M1970-I2014 HydrophobicContact CG-CG1 4.19Å |
| 1971 | T | 91.1 | Very high | 82 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | trans | -133.7 | 152 | 171 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | V1905 G1906 D1907 V1914 Y1969 L1973 | V1905-T1971 PolarHBondContact O-N 3.11Å; V1905-T1971 PolarHBondContact O-OG1 3.49Å; G1906-T1971 WeakPolarHBondContact CA-OG1 3.5Å; D1907-T1971 PolarHBondContact N-OG1 3.19Å; D1907-T1971 VanDerWaalsContact N-OG1 3.15Å; V1914-T1971 HydrophobicContact CG2-CG2 3.56Å; Y1969-T1971 HydrophobicContact CD1-CG2 4.12Å; Y1969-T1971 HydrophobicContact CE1-CG2 3.9Å; T1971-L1973 PolarHBondContact O-N 2.93Å | ||
| 1972 | R | 87.1 | Confident | 80.5 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | trans | -65.4 | 126.3 | 178.6 | -175.8 | -177.5 | 170.8 | -170.4 | -2.8 | 112.1 | Q1974 H2006 V2011 E2013 | R1972-Q1974 PolarHBondContact O-N 3.4Å; R1972-H2006 PolarHBondContact N-NE2 3.1Å; R1972-V2011 HydrophobicContact CG-CG2 4.35Å; R1972-V2011 VanDerWaalsContact NE-CG2 3.31Å; R1972-E2013 VanDerWaalsContact CA-OE1 3.27Å; R1972-E2013 WeakPolarHBondContact CA-OE1 3.34Å; R1972-E2013 WeakPolarHBondContact CB-OE1 3.32Å | ||
| 1973 | L | 79.4 | Confident | 79.4 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | trans | -83.4 | 107.1 | 167 | -74.8 | 164.3 | 0 | 0 | 0 | 109.9 | P1933 L1936 T1971 K1975 F1978 Y1985 Y1988 | P1933-L1973 HydrophobicContact CG-CD2 3.98Å; L1936-L1973 HydrophobicContact CD1-CD2 3.79Å; T1971-L1973 PolarHBondContact O-N 2.93Å; L1973-K1975 PolarHBondContact O-N 3.07Å; L1973-F1978 HydrophobicContact CD2-CZ 4.11Å; L1973-Y1985 HydrophobicContact CB-CD1 4.22Å; L1973-Y1985 HydrophobicContact CB-CE1 4.17Å; L1973-Y1985 HydrophobicContact CD1-CD1 4.22Å; L1973-Y1988 HydrophobicContact CD1-CD2 4.27Å; L1973-Y1988 HydrophobicContact CD1-CG 4.07Å | ||
| 1974 | Q | 75.9 | Confident | 78.7 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | trans | -76.5 | 111 | 177.4 | -78.8 | -174 | -18.1 | 0 | 0 | 110.7 | R1972 E1976 R1977 F1978 | R1972-Q1974 PolarHBondContact O-N 3.4Å; Q1974-E1976 HydrophobicContact CB-CG 4.26Å; Q1974-E1976 PolarHBondContact O-N 3.16Å; Q1974-R1977 HydrophobicContact CB-CG 4.07Å; Q1974-R1977 PolarHBondContact O-N 3.39Å; Q1974-R1977 VanDerWaalsContact O-N 3.09Å; Q1974-R1977 VanDerWaalsContact OE1-NH2 3.15Å; Q1974-F1978 WeakPolarHBondContact O-CD2 3.35Å; Q1974-F1978 WeakPolarHBondContact O-CE2 3.49Å | ||
| 1975 | K | 70 | Confident | 78 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -58.7 | -32.4 | -176.4 | -66.3 | -177.7 | -178.5 | 170.3 | 0 | 112 | L1973 R1977 F1978 Y1985 D2012 | L1973-K1975 PolarHBondContact O-N 3.07Å; K1975-R1977 PolarHBondContact O-N 3.47Å; K1975-F1978 PolarHBondContact O-N 2.98Å; K1975-Y1985 HydrophobicContact CG-CE1 4.08Å; K1975-Y1985 HydrophobicContact CG-CE2 4.48Å; K1975-D2012 IonicContact NZ-OD2 2.6Å; K1975-D2012 PolarHBondContact NZ-OD2 2.7Å |
| 1976 | E | 69.8 | Low | 77.2 | Confident | 128 Ų | 128 | 63.7 Ų | 63.7 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.5 | 178.5 | 62.4 | -90.1 | -151.3 | 0 | 0 | 114.9 | Q1974 | Q1974-E1976 HydrophobicContact CB-CG 4.26Å; Q1974-E1976 PolarHBondContact O-N 3.16Å |
| 1977 | R | 71.3 | Confident | 76.5 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -86.7 | -7.8 | -179.5 | -68 | -172.7 | 171.4 | 162.5 | -2.4 | 114.1 | D1907 Q1974 K1975 | D1907-R1977 VanDerWaalsContact OD2-CD 3.32Å; D1907-R1977 WeakPolarHBondContact OD2-CD 3.35Å; D1907-R1977 IonicContact OD2-CZ 3.99Å; D1907-R1977 IonicContact OD2-NE 3.94Å; D1907-R1977 IonicContact OD2-NH1 3.15Å; D1907-R1977 PolarHBondContact OD2-NH1 2.84Å; Q1974-R1977 HydrophobicContact CB-CG 4.07Å; Q1974-R1977 PolarHBondContact O-N 3.39Å; Q1974-R1977 VanDerWaalsContact O-N 3.09Å; Q1974-R1977 VanDerWaalsContact OE1-NH2 3.15Å; K1975-R1977 PolarHBondContact O-N 3.47Å |
| 1978 | F | 67.5 | Low | 76.1 | Confident | 20 Ų | 20 | 71 Ų | 71 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | trans | -95.5 | 127.3 | 178.2 | -61.9 | -84.9 | 0 | 0 | 0 | 110 | P1933 E1935 L1936 L1973 Q1974 K1975 A1980 V1983 Y1985 | P1933-F1978 HydrophobicContact CB-CE1 4.14Å; P1933-F1978 HydrophobicContact CG-CE1 4.24Å; P1933-F1978 HydrophobicContact CG-CZ 4.13Å; E1935-F1978 WeakPolarHBondContact OE2-CD1 3.24Å; L1936-F1978 HydrophobicContact CD1-CE1 3.81Å; L1936-F1978 HydrophobicContact CD1-CE2 3.9Å; L1936-F1978 HydrophobicContact CD1-CZ 3.26Å; L1936-F1978 HydrophobicContact CG-CE1 4.1Å; L1936-F1978 HydrophobicContact CG-CZ 4.07Å; L1973-F1978 HydrophobicContact CD2-CZ 4.11Å; Q1974-F1978 WeakPolarHBondContact O-CD2 3.35Å; Q1974-F1978 WeakPolarHBondContact O-CE2 3.49Å; K1975-F1978 PolarHBondContact O-N 2.98Å; F1978-A1980 VanDerWaalsContact C-N 3.28Å; F1978-A1980 PolarHBondContact O-N 3.46Å; F1978-V1983 HydrophobicContact CD1-CB 4.1Å; F1978-V1983 HydrophobicContact CD1-CG2 3.44Å; F1978-V1983 VanDerWaalsContact CD1-CG2 3.44Å; F1978-V1983 HydrophobicContact CE1-CB 4Å; F1978-V1983 HydrophobicContact CE1-CG1 4.08Å; F1978-V1983 HydrophobicContact CE1-CG2 3.46Å; F1978-V1983 VanDerWaalsContact CE1-CG2 3.46Å; F1978-V1983 HydrophobicContact CG-CG2 4.39Å; F1978-V1983 HydrophobicContact CZ-CB 4.49Å; F1978-V1983 HydrophobicContact CZ-CG1 4.26Å; F1978-V1983 HydrophobicContact CZ-CG2 4.39Å; F1978-Y1985 HydrophobicContact CD2-CE1 4.19Å; F1978-Y1985 AromaticContact CD2-CZ 3.92Å; F1978-Y1985 WeakPolarHBondContact CD2-OH 3.24Å; F1978-Y1985 AromaticContact CE2-CE1 3.72Å; F1978-Y1985 HydrophobicContact CE2-CE1 3.72Å; F1978-Y1985 AromaticContact CE2-CZ 3.92Å; F1978-Y1985 WeakPolarHBondContact CE2-OH 3.41Å; F1978-Y1985 HydrophobicContact CZ-CE1 4.3Å | ||
| 1979 | K | 62.2 | Low | 75.7 | Confident | 214 Ų | 214 | 73.4 Ų | 73.4 | 93% | 0.93 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.2 | -19.7 | 177.9 | -74.7 | -175.7 | 178 | 178.9 | 0 | 113 | ||
| 1980 | A | 54.1 | Low | 75.3 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 45% | 0.446 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -142.2 | 149.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1978 S1982 | F1978-A1980 VanDerWaalsContact C-N 3.28Å; F1978-A1980 PolarHBondContact O-N 3.46Å; A1980-S1982 PolarHBondContact O-N 3.06Å |
| 1981 | S | 52.9 | Low | 74.9 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 90% | 0.895 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 21.9 | 178.4 | 47.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1982 | S | 60.5 | Low | 74.4 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.7 | -173.7 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | A1980 N1984 | A1980-S1982 PolarHBondContact O-N 3.06Å; S1982-N1984 PolarHBondContact O-N 3.47Å |
| 1983 | V | 68.8 | Low | 74.1 | Confident | 23 Ų | 23 | 80.7 Ų | 80.7 | 14% | 0.139 | 41% | 0.406 | C | S | . | . | trans | -84.2 | 114.9 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | P1933 F1978 Y1985 Y1988 | P1933-V1983 HydrophobicContact CB-CG1 4.17Å; P1933-V1983 HydrophobicContact CG-CG1 3.96Å; F1978-V1983 HydrophobicContact CD1-CB 4.1Å; F1978-V1983 HydrophobicContact CD1-CG2 3.44Å; F1978-V1983 VanDerWaalsContact CD1-CG2 3.44Å; F1978-V1983 HydrophobicContact CE1-CB 4Å; F1978-V1983 HydrophobicContact CE1-CG1 4.08Å; F1978-V1983 HydrophobicContact CE1-CG2 3.46Å; F1978-V1983 VanDerWaalsContact CE1-CG2 3.46Å; F1978-V1983 HydrophobicContact CG-CG2 4.39Å; F1978-V1983 HydrophobicContact CZ-CB 4.49Å; F1978-V1983 HydrophobicContact CZ-CG1 4.26Å; F1978-V1983 HydrophobicContact CZ-CG2 4.39Å; V1983-Y1985 WeakPolarHBondContact O-CD2 3.41Å; V1983-Y1985 WeakPolarHBondContact O-CE2 3.32Å; V1983-Y1985 PolarHBondContact O-N 3.37Å; V1983-Y1988 HydrophobicContact CG1-CE2 4.37Å | ||
| 1984 | N | 75.2 | Confident | 74.3 | Confident | 90 Ų | 90 | 81 Ų | 81 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | trans | -74.8 | 92.7 | 172.5 | -174.4 | -10.9 | 0 | 0 | 0 | 109.9 | S1982 E1986 K1987 | S1982-N1984 PolarHBondContact O-N 3.47Å; N1984-E1986 PolarHBondContact O-N 3.08Å; N1984-E1986 WeakPolarHBondContact OD1-CB 3.34Å; N1984-E1986 PolarHBondContact OD1-N 3.44Å; N1984-K1987 HydrophobicContact CB-CD 4.43Å; N1984-K1987 HydrophobicContact CB-CG 4.36Å; N1984-K1987 WeakPolarHBondContact O-CB 3.41Å; N1984-K1987 PolarHBondContact O-N 3.07Å | ||
| 1985 | Y | 75.5 | Confident | 74.7 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 23% | 0.231 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -57.7 | -30.1 | -179 | -67.8 | -84.2 | 0 | 0 | 0 | 113.8 | L1973 K1975 F1978 V1983 K1987 Y1988 | L1973-Y1985 HydrophobicContact CB-CD1 4.22Å; L1973-Y1985 HydrophobicContact CB-CE1 4.17Å; L1973-Y1985 HydrophobicContact CD1-CD1 4.22Å; K1975-Y1985 HydrophobicContact CG-CE1 4.08Å; K1975-Y1985 HydrophobicContact CG-CE2 4.48Å; F1978-Y1985 HydrophobicContact CD2-CE1 4.19Å; F1978-Y1985 AromaticContact CD2-CZ 3.92Å; F1978-Y1985 WeakPolarHBondContact CD2-OH 3.24Å; F1978-Y1985 AromaticContact CE2-CE1 3.72Å; F1978-Y1985 HydrophobicContact CE2-CE1 3.72Å; F1978-Y1985 AromaticContact CE2-CZ 3.92Å; F1978-Y1985 WeakPolarHBondContact CE2-OH 3.41Å; F1978-Y1985 HydrophobicContact CZ-CE1 4.3Å; V1983-Y1985 WeakPolarHBondContact O-CD2 3.41Å; V1983-Y1985 WeakPolarHBondContact O-CE2 3.32Å; V1983-Y1985 PolarHBondContact O-N 3.37Å; Y1985-K1987 PolarHBondContact O-N 2.8Å; Y1985-K1987 VanDerWaalsContact O-N 3.11Å; Y1985-Y1988 PolarHBondContact O-N 2.96Å |
| 1986 | E | 77.7 | Confident | 75.3 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -60.3 | -24.6 | 179.5 | -65.1 | -61.5 | 147.4 | 0 | 0 | 112.5 | N1984 Y1988 K1989 | N1984-E1986 PolarHBondContact O-N 3.08Å; N1984-E1986 WeakPolarHBondContact OD1-CB 3.34Å; N1984-E1986 PolarHBondContact OD1-N 3.44Å; E1986-Y1988 PolarHBondContact O-N 2.96Å; E1986-K1989 PolarHBondContact O-N 2.98Å |
| 1987 | K | 83.1 | Confident | 76 | Confident | 140 Ų | 140 | 77.6 Ų | 77.6 | 61% | 0.609 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -69.4 | -15.4 | 176.6 | -68.3 | -172.4 | 175.9 | -177.2 | 0 | 114.3 | N1984 Y1985 | N1984-K1987 HydrophobicContact CB-CD 4.43Å; N1984-K1987 HydrophobicContact CB-CG 4.36Å; N1984-K1987 WeakPolarHBondContact O-CB 3.41Å; N1984-K1987 PolarHBondContact O-N 3.07Å; Y1985-K1987 PolarHBondContact O-N 2.8Å; Y1985-K1987 VanDerWaalsContact O-N 3.11Å |
| 1988 | Y | 87.6 | Confident | 76.8 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -117.4 | 9.3 | -177.3 | -57.1 | -83.8 | 0 | 0 | 0 | 112.2 | V1931 S1932 P1933 M1970 L1973 V1983 Y1985 E1986 | V1931-Y1988 HydrophobicContact CG1-CD1 4.1Å; V1931-Y1988 HydrophobicContact CG1-CE1 4.15Å; S1932-Y1988 PolarHBondContact O-OH 3.2Å; P1933-Y1988 WeakPolarHBondContact CA-OH 3.46Å; P1933-Y1988 HydrophobicContact CB-CE2 4.5Å; P1933-Y1988 HydrophobicContact CG-CD2 4.28Å; P1933-Y1988 HydrophobicContact CG-CE1 4.38Å; P1933-Y1988 HydrophobicContact CG-CE2 3.78Å; M1970-Y1988 WeakPolarHBondContact CE-O 3.37Å; L1973-Y1988 HydrophobicContact CD1-CD2 4.27Å; L1973-Y1988 HydrophobicContact CD1-CG 4.07Å; V1983-Y1988 HydrophobicContact CG1-CE2 4.37Å; Y1985-Y1988 PolarHBondContact O-N 2.96Å; E1986-Y1988 PolarHBondContact O-N 2.96Å |
| 1989 | K | 88.1 | Confident | 77.7 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 23% | 0.226 | 41% | 0.408 | C | S | . | . | trans | -92.1 | 135 | 178.1 | -176.1 | 174.1 | 177.1 | -177.1 | 0 | 110.5 | L1958 E1986 T1991 D2012 E2013 | L1958-K1989 WeakPolarHBondContact CD2-O 3.47Å; E1986-K1989 PolarHBondContact O-N 2.98Å; K1989-T1991 HydrophobicContact CD-CG2 4.39Å; K1989-T1991 HydrophobicContact CG-CG2 4.24Å; K1989-D2012 VanDerWaalsContact CD-O 3.24Å; K1989-D2012 WeakPolarHBondContact CD-O 3.42Å; K1989-D2012 WeakPolarHBondContact CE-O 3.2Å; K1989-D2012 WeakPolarHBondContact CG-O 3.17Å; K1989-E2013 WeakPolarHBondContact CA-O 3.33Å | ||
| 1990 | V | 88.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 115.9 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 109 | L1958 L1968 M1970 L1995 E2013 D2015 | L1958-V1990 HydrophobicContact CD1-CG2 4.34Å; L1958-V1990 HydrophobicContact CD2-CG2 4.18Å; L1968-V1990 HydrophobicContact CD2-CG2 3.78Å; M1970-V1990 HydrophobicContact CE-CB 4.32Å; M1970-V1990 HydrophobicContact CE-CG2 3.57Å; M1970-V1990 HydrophobicContact CG-CG2 4.21Å; M1970-V1990 HydrophobicContact SD-CG2 3.48Å; M1970-V1990 WeakPolarHBondContact SD-CG2 3.4Å; V1990-L1995 HydrophobicContact CG1-CD1 3.6Å; V1990-L1995 HydrophobicContact CG1-CD2 4.02Å; V1990-L1995 HydrophobicContact CG1-CG 3.77Å; V1990-E2013 PolarHBondContact N-O 3.3Å; V1990-D2015 PolarHBondContact O-N 3.44Å |
| 1991 | T | 86.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 80.7 Ų | 80.7 | 18% | 0.184 | 42% | 0.421 | C | S | . | . | trans | -114.4 | 160.1 | 172 | 64.9 | 0 | 0 | 0 | 0 | 109.9 | K1989 E1993 S1994 L1995 | K1989-T1991 HydrophobicContact CD-CG2 4.39Å; K1989-T1991 HydrophobicContact CG-CG2 4.24Å; T1991-E1993 PolarHBondContact O-N 3.49Å; T1991-E1993 VanDerWaalsContact O-N 3.15Å; T1991-S1994 PolarHBondContact N-OG 3.34Å; T1991-S1994 PolarHBondContact O-N 3.22Å; T1991-S1994 PolarHBondContact O-OG 3.42Å; T1991-S1994 PolarHBondContact OG1-N 3.06Å; T1991-L1995 PolarHBondContact O-N 2.96Å | ||
| 1992 | P | 80.2 | Confident | 82.1 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -36.8 | 174.1 | -28.1 | 35.9 | 0 | 0 | 0 | 113.2 | L1995 S1996 V2017 | P1992-L1995 PolarHBondContact O-N 2.99Å; P1992-S1996 PolarHBondContact O-N 3.3Å; P1992-V2017 HydrophobicContact CG-CB 4.26Å; P1992-V2017 HydrophobicContact CG-CG1 4.04Å |
| 1993 | E | 82 | Confident | 83.7 | Confident | 161 Ų | 161 | 70.7 Ų | 70.7 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -42 | 176.5 | -67.2 | 169.5 | 168.1 | 0 | 0 | 112.5 | T1991 L1995 S1996 | T1991-E1993 PolarHBondContact O-N 3.49Å; T1991-E1993 VanDerWaalsContact O-N 3.15Å; E1993-L1995 PolarHBondContact O-N 3.09Å; E1993-S1996 WeakPolarHBondContact O-CB 3.43Å; E1993-S1996 PolarHBondContact O-N 3.46Å; E1993-S1996 PolarHBondContact O-OG 2.93Å |
| 1994 | S | 82.7 | Confident | 85 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27 | 177.8 | 71.7 | 0 | 0 | 0 | 0 | 112.9 | I1962 T1991 | I1962-S1994 WeakPolarHBondContact CD1-O 3.12Å; T1991-S1994 PolarHBondContact N-OG 3.34Å; T1991-S1994 PolarHBondContact O-N 3.22Å; T1991-S1994 PolarHBondContact O-OG 3.42Å; T1991-S1994 PolarHBondContact OG1-N 3.06Å |
| 1995 | L | 85.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.2 | -177.8 | -64.1 | 179.9 | 0 | 0 | 0 | 114.4 | I1962 L1968 V1990 T1991 P1992 E1993 N1997 A1998 M2002 V2004 F2018 R2023 | I1962-L1995 HydrophobicContact CD1-CD2 4.2Å; I1962-L1995 HydrophobicContact CG1-CD2 4.38Å; I1962-L1995 HydrophobicContact CG2-CD2 4.18Å; L1968-L1995 HydrophobicContact CD2-CD2 4.29Å; V1990-L1995 HydrophobicContact CG1-CD1 3.6Å; V1990-L1995 HydrophobicContact CG1-CD2 4.02Å; V1990-L1995 HydrophobicContact CG1-CG 3.77Å; T1991-L1995 PolarHBondContact O-N 2.96Å; P1992-L1995 PolarHBondContact O-N 2.99Å; E1993-L1995 PolarHBondContact O-N 3.09Å; L1995-N1997 PolarHBondContact O-N 3.45Å; L1995-A1998 HydrophobicContact CB-CB 4.45Å; L1995-A1998 HydrophobicContact CD2-CB 4.29Å; L1995-A1998 WeakPolarHBondContact O-CB 3.5Å; L1995-A1998 PolarHBondContact O-N 2.9Å; L1995-A1998 VanDerWaalsContact O-N 3.13Å; L1995-M2002 HydrophobicContact CD2-CE 3.66Å; L1995-V2004 HydrophobicContact CD1-CG2 4.32Å; L1995-F2018 HydrophobicContact CD1-CD2 3.53Å; L1995-F2018 HydrophobicContact CD1-CE1 4.21Å; L1995-F2018 HydrophobicContact CD1-CE2 3.09Å; L1995-F2018 HydrophobicContact CD1-CG 4.25Å; L1995-F2018 HydrophobicContact CD1-CZ 3.48Å; L1995-F2018 VanDerWaalsContact CD1-CZ 3.48Å; L1995-R2023 PolarHBondContact O-NH1 3Å |
| 1996 | S | 82.9 | Confident | 87 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 63% | 0.629 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -31.3 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | P1992 E1993 | P1992-S1996 PolarHBondContact O-N 3.3Å; E1993-S1996 WeakPolarHBondContact O-CB 3.43Å; E1993-S1996 PolarHBondContact O-N 3.46Å; E1993-S1996 PolarHBondContact O-OG 2.93Å |
| 1997 | N | 83.9 | Confident | 87.6 | Confident | 125 Ų | 125 | 57.7 Ų | 57.7 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 14.9 | 178.6 | -67.1 | -35.9 | 0 | 0 | 0 | 113.6 | P1963 L1995 | P1963-N1997 WeakPolarHBondContact CA-O 3.41Å; P1963-N1997 HydrophobicContact CG-CB 4.42Å; L1995-N1997 PolarHBondContact O-N 3.45Å |
| 1998 | A | 88.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -73.4 | 154.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1962 L1995 M2002 | I1962-A1998 HydrophobicContact CG2-CB 3.62Å; L1995-A1998 HydrophobicContact CB-CB 4.45Å; L1995-A1998 HydrophobicContact CD2-CB 4.29Å; L1995-A1998 WeakPolarHBondContact O-CB 3.5Å; L1995-A1998 PolarHBondContact O-N 2.9Å; L1995-A1998 VanDerWaalsContact O-N 3.13Å; A1998-M2002 HydrophobicContact CB-CE 3.84Å; A1998-M2002 HydrophobicContact CB-SD 3.81Å |
| 1999 | K | 87.3 | Confident | 87.9 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | trans | -60.5 | 145 | 172.1 | -60.7 | 174.4 | 175.5 | 171 | 0 | 110.2 | Q1964 D1966 K2001 M2002 | Q1964-K1999 WeakPolarHBondContact O-CE 3.46Å; Q1964-K1999 PolarHBondContact O-NZ 3.32Å; D1966-K1999 VanDerWaalsContact CG-NZ 3.34Å; D1966-K1999 VanDerWaalsContact OD1-CD 3.27Å; D1966-K1999 WeakPolarHBondContact OD1-CD 3.38Å; D1966-K1999 IonicContact OD1-NZ 3.92Å; D1966-K1999 PolarHBondContact OD1-NZ 3.36Å; D1966-K1999 IonicContact OD2-NZ 3.7Å; D1966-K1999 PolarHBondContact OD2-NZ 3.15Å; K1999-K2001 VanDerWaalsContact C-N 3.25Å; K1999-K2001 PolarHBondContact O-N 2.88Å; K1999-M2002 HydrophobicContact CB-CB 4.13Å; K1999-M2002 VanDerWaalsContact O-CB 3.24Å; K1999-M2002 WeakPolarHBondContact O-CB 3.32Å; K1999-M2002 PolarHBondContact O-N 3.34Å | ||
| 2000 | E | 81.5 | Confident | 87.8 | Confident | 184 Ų | 184 | 53 Ų | 53 | 86% | 0.86 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -38.7 | -179.1 | -169.8 | 177.9 | -174.8 | 0 | 0 | 112.4 | ||
| 2001 | K | 85.1 | Confident | 87.6 | Confident | 180 Ų | 180 | 57.2 Ų | 57.2 | 78% | 0.783 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.5 | 177.3 | -64.3 | -170.7 | 176.2 | -173.8 | 0 | 114.6 | K1999 | K1999-K2001 VanDerWaalsContact C-N 3.25Å; K1999-K2001 PolarHBondContact O-N 2.88Å |
| 2002 | M | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -66.2 | 137.9 | 179.1 | -170.6 | -160.1 | 74.7 | 0 | 0 | 109.9 | C1965 D1966 L1968 L1995 A1998 K1999 V2004 R2023 | C1965-M2002 WeakPolarHBondContact O-CG 3.44Å; D1966-M2002 CarbonylContact O-C 3.56Å; D1966-M2002 VanDerWaalsContact O-CA 3.24Å; D1966-M2002 WeakPolarHBondContact O-CA 3.34Å; D1966-M2002 WeakPolarHBondContact O-CG 3.27Å; L1968-M2002 HydrophobicContact CB-CE 4.29Å; L1968-M2002 HydrophobicContact CB-SD 4.19Å; L1968-M2002 HydrophobicContact CD2-CE 4.46Å; L1995-M2002 HydrophobicContact CD2-CE 3.66Å; A1998-M2002 HydrophobicContact CB-CE 3.84Å; A1998-M2002 HydrophobicContact CB-SD 3.81Å; K1999-M2002 HydrophobicContact CB-CB 4.13Å; K1999-M2002 VanDerWaalsContact O-CB 3.24Å; K1999-M2002 WeakPolarHBondContact O-CB 3.32Å; K1999-M2002 PolarHBondContact O-N 3.34Å; M2002-V2004 HydrophobicContact CE-CG2 3.54Å; M2002-R2023 WeakPolarHBondContact O-CB 3.31Å; M2002-R2023 WeakPolarHBondContact O-CD 3.22Å; M2002-R2023 WeakPolarHBondContact O-CG 3.43Å | ||
| 2003 | I | 95.1 | Very high | 88 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 149 | 172.4 | 67.6 | 179.4 | 0 | 0 | 0 | 111.8 | E1893 I1894 D1966 V1967 L1968 M2005 | E1893-I2003 HydrophobicContact CB-CD1 3.8Å; E1893-I2003 HydrophobicContact CB-CG2 4.1Å; E1893-I2003 HydrophobicContact CG-CD1 4.32Å; I1894-I2003 HydrophobicContact CD1-CD1 3.88Å; I1894-I2003 HydrophobicContact CD1-CG1 4.03Å; I1894-I2003 HydrophobicContact CG1-CD1 4.09Å; I1894-I2003 HydrophobicContact CG1-CG1 4.48Å; I1894-I2003 HydrophobicContact CG1-CG2 4.34Å; D1966-I2003 PolarHBondContact O-N 3.14Å; V1967-I2003 HydrophobicContact CB-CG1 4.39Å; V1967-I2003 HydrophobicContact CG1-CG1 4.17Å; V1967-I2003 HydrophobicContact CG2-CD1 4.22Å; V1967-I2003 HydrophobicContact CG2-CG1 4.04Å; L1968-I2003 PolarHBondContact N-O 2.9Å; I2003-M2005 HydrophobicContact CD1-CG 4.18Å; I2003-M2005 HydrophobicContact CD1-SD 3.88Å; I2003-M2005 HydrophobicContact CG1-CG 4.32Å; I2003-M2005 HydrophobicContact CG1-SD 4.43Å |
| 2004 | V | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.9 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L1968 M1970 L1995 M2002 I2014 F2018 R2023 S2025 Y2026 | L1968-V2004 HydrophobicContact CB-CG2 4.35Å; L1968-V2004 HydrophobicContact CD2-CG1 4.5Å; L1968-V2004 HydrophobicContact CD2-CG2 4.25Å; L1968-V2004 WeakPolarHBondContact O-CA 3.38Å; M1970-V2004 HydrophobicContact CG-CG1 4.09Å; L1995-V2004 HydrophobicContact CD1-CG2 4.32Å; M2002-V2004 HydrophobicContact CE-CG2 3.54Å; V2004-I2014 HydrophobicContact CG1-CD1 4.23Å; V2004-F2018 HydrophobicContact CB-CE1 3.71Å; V2004-F2018 HydrophobicContact CB-CZ 4.13Å; V2004-F2018 HydrophobicContact CG1-CE1 4.22Å; V2004-F2018 HydrophobicContact CG2-CE1 3.67Å; V2004-F2018 HydrophobicContact CG2-CZ 3.61Å; V2004-R2023 PolarHBondContact N-O 3.21Å; V2004-S2025 PolarHBondContact O-N 3.09Å; V2004-S2025 VanDerWaalsContact O-N 3.08Å; V2004-S2025 PolarHBondContact O-OG 3.04Å; V2004-S2025 VanDerWaalsContact O-OG 3.07Å; V2004-Y2026 WeakPolarHBondContact O-CD1 3.22Å |
| 2005 | M | 97 | Very high | 88.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 152.4 | -177.6 | -67.8 | 175.2 | 67.8 | 0 | 0 | 111 | D1886 T1889 I1890 V1967 L1968 Y1969 M1970 I2003 S2025 Q2029 | D1886-M2005 HydrophobicContact CB-CE 3.95Å; D1886-M2005 WeakPolarHBondContact O-CE 3.3Å; T1889-M2005 HydrophobicContact CG2-CE 3.83Å; T1889-M2005 HydrophobicContact CG2-SD 4.29Å; I1890-M2005 HydrophobicContact CD1-SD 4.33Å; I1890-M2005 HydrophobicContact CG1-CE 4.18Å; I1890-M2005 HydrophobicContact CG1-SD 3.64Å; V1967-M2005 HydrophobicContact CG1-CG 4.35Å; V1967-M2005 HydrophobicContact CG1-SD 3.64Å; L1968-M2005 PolarHBondContact O-N 2.87Å; Y1969-M2005 HydrophobicContact CD2-CB 3.75Å; Y1969-M2005 HydrophobicContact CD2-CE 4.22Å; Y1969-M2005 HydrophobicContact CD2-SD 4.46Å; Y1969-M2005 HydrophobicContact CE2-CB 4.33Å; Y1969-M2005 HydrophobicContact CE2-CE 4.25Å; Y1969-M2005 HydrophobicContact CG-CB 4.5Å; M1970-M2005 PolarHBondContact N-O 3.25Å; I2003-M2005 HydrophobicContact CD1-CG 4.18Å; I2003-M2005 HydrophobicContact CD1-SD 3.88Å; I2003-M2005 HydrophobicContact CG1-CG 4.32Å; I2003-M2005 HydrophobicContact CG1-SD 4.43Å; M2005-S2025 VanDerWaalsContact CG-OG 3.23Å; M2005-S2025 WeakPolarHBondContact CG-OG 3.28Å; M2005-Q2029 HydrophobicContact CE-CG 4.18Å |
| 2006 | H | 94.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -159.4 | 127.1 | 178.3 | -170.6 | -84.5 | 0 | 0 | 0 | 110.6 | M1970 R1972 L2008 P2009 E2013 I2014 Y2026 Q2029 | M1970-H2006 VanDerWaalsContact C-CD2 3.4Å; M1970-H2006 HydrophobicContact CB-CB 4.48Å; M1970-H2006 PolarHBondContact O-CD2 3.04Å; R1972-H2006 PolarHBondContact N-NE2 3.1Å; H2006-L2008 PolarHBondContact CE1-N 3.05Å; H2006-L2008 VanDerWaalsContact ND1-CA 3.28Å; H2006-L2008 WeakPolarHBondContact ND1-CA 3.28Å; H2006-L2008 PolarHBondContact ND1-N 2.92Å; H2006-L2008 PolarHBondContact O-N 3.23Å; H2006-L2008 VanDerWaalsContact O-N 3.13Å; H2006-P2009 PolarHBondContact CE1-O 2.68Å; H2006-E2013 IonicContact CD2-OE1 2.87Å; H2006-E2013 IonicContact CE1-OE1 3.47Å; H2006-E2013 PolarHBondContact CE1-OE1 2.58Å; H2006-E2013 IonicContact NE2-OE1 3.28Å; H2006-E2013 PolarHBondContact NE2-OE1 3.26Å; H2006-I2014 HydrophobicContact CB-CD1 3.86Å; H2006-Y2026 HydrophobicContact CB-CG 4.36Å; H2006-Q2029 PolarHBondContact O-OE1 2.9Å; H2006-Q2029 VanDerWaalsContact O-OE1 3.13Å | ||
| 2007 | P | 91.1 | Very high | 88.8 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 16% | 0.156 | 29% | 0.287 | C | S | . | . | trans | -71.3 | -11.2 | -175.5 | 28.8 | -34.5 | 0 | 0 | 0 | 114.2 | R1802 T1913 Y1969 M1970 | R1802-P2007 PolarHBondContact NE-O 3.2Å; T1913-P2007 HydrophobicContact CG2-CB 4.3Å; Y1969-P2007 HydrophobicContact CE1-CG 4.29Å; M1970-P2007 VanDerWaalsContact O-CD 3.25Å; M1970-P2007 WeakPolarHBondContact O-CD 3.29Å | ||
| 2008 | L | 89.6 | Confident | 88.9 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 63.1 | 153.3 | -178.6 | -66.2 | 170.8 | 0 | 0 | 0 | 113.3 | R1802 H2006 R2010 F2027 | R1802-L2008 VanDerWaalsContact CZ-C 3.49Å; R1802-L2008 VanDerWaalsContact NE-CB 3.34Å; R1802-L2008 PolarHBondContact NE-O 3.01Å; R1802-L2008 PolarHBondContact NH2-O 3.19Å; H2006-L2008 PolarHBondContact CE1-N 3.05Å; H2006-L2008 VanDerWaalsContact ND1-CA 3.28Å; H2006-L2008 WeakPolarHBondContact ND1-CA 3.28Å; H2006-L2008 PolarHBondContact ND1-N 2.92Å; H2006-L2008 PolarHBondContact O-N 3.23Å; H2006-L2008 VanDerWaalsContact O-N 3.13Å; L2008-R2010 HydrophobicContact CD2-CB 4.01Å; L2008-R2010 HydrophobicContact CD2-CG 3.85Å; L2008-F2027 HydrophobicContact CD1-CD1 4.25Å; L2008-F2027 HydrophobicContact CD1-CE1 4.24Å |
| 2009 | P | 87.2 | Confident | 88.9 | Confident | 64 Ų | 64 | 51 Ų | 51 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | cis | -79.6 | 139.9 | 5.7 | 34.6 | -30.7 | 0 | 0 | 0 | 111.3 | R1802 H2006 | R1802-P2009 VanDerWaalsContact NH2-CD 3.29Å; H2006-P2009 PolarHBondContact CE1-O 2.68Å | ||
| 2010 | R | 86.4 | Confident | 88.6 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 18% | 0.177 | 29% | 0.286 | C | S | . | . | trans | -85.1 | 152.2 | 165.7 | 68.9 | 174.6 | -177 | -171.3 | -5.4 | 110.2 | L2008 E2013 D2019 Y2026 | L2008-R2010 HydrophobicContact CD2-CB 4.01Å; L2008-R2010 HydrophobicContact CD2-CG 3.85Å; R2010-E2013 VanDerWaalsContact CA-OE1 3.26Å; R2010-E2013 WeakPolarHBondContact CA-OE1 3.07Å; R2010-D2019 IonicContact CZ-OD1 2.86Å; R2010-D2019 IonicContact CZ-OD2 3.67Å; R2010-D2019 IonicContact NH1-OD1 3.66Å; R2010-D2019 PolarHBondContact NH1-OD1 2.76Å; R2010-D2019 IonicContact NH1-OD2 3.47Å; R2010-D2019 IonicContact NH2-OD1 3.21Å; R2010-D2019 PolarHBondContact NH2-OD1 2.74Å; R2010-D2019 IonicContact NH2-OD2 3.23Å; R2010-D2019 PolarHBondContact NH2-OD2 2.86Å; R2010-Y2026 PolarHBondContact NH1-OH 2.79Å | ||
| 2011 | V | 84.6 | Confident | 88.8 | Confident | 88 Ų | 88 | 45.6 Ų | 45.6 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -120.1 | -66.3 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | R1972 E2013 | R1972-V2011 HydrophobicContact CG-CG2 4.35Å; R1972-V2011 VanDerWaalsContact NE-CG2 3.31Å; V2011-E2013 WeakPolarHBondContact CA-OE2 3.19Å; V2011-E2013 PolarHBondContact N-OE2 3.04Å |
| 2012 | D | 84.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 42 Ų | 42 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -142.6 | -1.7 | -175.7 | 55.9 | -7.5 | 0 | 0 | 0 | 113.6 | K1975 K1989 | K1975-D2012 IonicContact NZ-OD2 2.6Å; K1975-D2012 PolarHBondContact NZ-OD2 2.7Å; K1989-D2012 VanDerWaalsContact CD-O 3.24Å; K1989-D2012 WeakPolarHBondContact CD-O 3.42Å; K1989-D2012 WeakPolarHBondContact CE-O 3.2Å; K1989-D2012 WeakPolarHBondContact CG-O 3.17Å |
| 2013 | E | 90.1 | Very high | 88.5 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.9 | -20.2 | -177.8 | 66.1 | -87.1 | -148.7 | 0 | 0 | 114.6 | M1970 R1972 K1989 V1990 H2006 R2010 V2011 | M1970-E2013 HydrophobicContact CE-CB 4.19Å; M1970-E2013 HydrophobicContact CE-CG 4.45Å; M1970-E2013 WeakPolarHBondContact CE-O 3.29Å; R1972-E2013 VanDerWaalsContact CA-OE1 3.27Å; R1972-E2013 WeakPolarHBondContact CA-OE1 3.34Å; R1972-E2013 WeakPolarHBondContact CB-OE1 3.32Å; K1989-E2013 WeakPolarHBondContact CA-O 3.33Å; V1990-E2013 PolarHBondContact N-O 3.3Å; H2006-E2013 IonicContact CD2-OE1 2.87Å; H2006-E2013 IonicContact CE1-OE1 3.47Å; H2006-E2013 PolarHBondContact CE1-OE1 2.58Å; H2006-E2013 IonicContact NE2-OE1 3.28Å; H2006-E2013 PolarHBondContact NE2-OE1 3.26Å; R2010-E2013 VanDerWaalsContact CA-OE1 3.26Å; R2010-E2013 WeakPolarHBondContact CA-OE1 3.07Å; V2011-E2013 WeakPolarHBondContact CA-OE2 3.19Å; V2011-E2013 PolarHBondContact N-OE2 3.04Å |
| 2014 | I | 90.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 123.3 | 171.9 | -60 | 170.9 | 0 | 0 | 0 | 107.2 | M1970 V2004 H2006 T2016 F2018 Y2026 | M1970-I2014 HydrophobicContact CB-CD1 3.95Å; M1970-I2014 HydrophobicContact CB-CG1 4.31Å; M1970-I2014 HydrophobicContact CE-CG1 4.27Å; M1970-I2014 HydrophobicContact CG-CD1 4.1Å; M1970-I2014 HydrophobicContact CG-CG1 4.19Å; V2004-I2014 HydrophobicContact CG1-CD1 4.23Å; H2006-I2014 HydrophobicContact CB-CD1 3.86Å; I2014-T2016 PolarHBondContact O-N 2.95Å; I2014-F2018 HydrophobicContact CG2-CB 4.45Å; I2014-F2018 HydrophobicContact CG2-CD1 4.1Å; I2014-Y2026 HydrophobicContact CD1-CD1 4.18Å; I2014-Y2026 HydrophobicContact CD1-CE1 4.2Å; I2014-Y2026 HydrophobicContact CG2-CE1 4.19Å |
| 2015 | D | 87.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | trans | -63.6 | 131.4 | 176.3 | -161.5 | -50.9 | 0 | 0 | 0 | 111.2 | V1990 V2017 F2018 | V1990-D2015 PolarHBondContact O-N 3.44Å; D2015-V2017 PolarHBondContact O-N 2.93Å; D2015-V2017 WeakPolarHBondContact OD1-CB 3.18Å; D2015-V2017 WeakPolarHBondContact OD1-CG2 3.39Å; D2015-V2017 PolarHBondContact OD1-N 2.87Å; D2015-F2018 VanDerWaalsContact O-CB 3.26Å; D2015-F2018 WeakPolarHBondContact O-CB 3.32Å; D2015-F2018 PolarHBondContact O-N 2.89Å | ||
| 2016 | T | 86 | Confident | 88.1 | Confident | 91 Ų | 91 | 44.2 Ų | 44.2 | 56% | 0.558 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.5 | -179.3 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | I2014 F2018 D2019 | I2014-T2016 PolarHBondContact O-N 2.95Å; T2016-F2018 PolarHBondContact O-N 2.91Å; T2016-D2019 WeakPolarHBondContact O-CB 3.28Å; T2016-D2019 VanDerWaalsContact O-CG 3.27Å; T2016-D2019 PolarHBondContact O-N 2.86Å; T2016-D2019 VanDerWaalsContact O-N 3.1Å |
| 2017 | V | 84.6 | Confident | 88 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 58% | 0.582 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -59.4 | -27.1 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | P1992 D2015 D2019 S2020 | P1992-V2017 HydrophobicContact CG-CB 4.26Å; P1992-V2017 HydrophobicContact CG-CG1 4.04Å; D2015-V2017 PolarHBondContact O-N 2.93Å; D2015-V2017 WeakPolarHBondContact OD1-CB 3.18Å; D2015-V2017 WeakPolarHBondContact OD1-CG2 3.39Å; D2015-V2017 PolarHBondContact OD1-N 2.87Å; V2017-D2019 VanDerWaalsContact C-N 3.25Å; V2017-D2019 PolarHBondContact O-N 3.09Å; V2017-S2020 PolarHBondContact O-OG 3.44Å |
| 2018 | F | 86.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -72.7 | -10.9 | 178.8 | -173.7 | -110.2 | 0 | 0 | 0 | 114 | L1995 V2004 I2014 D2015 T2016 S2020 D2021 R2023 A2024 Y2026 | L1995-F2018 HydrophobicContact CD1-CD2 3.53Å; L1995-F2018 HydrophobicContact CD1-CE1 4.21Å; L1995-F2018 HydrophobicContact CD1-CE2 3.09Å; L1995-F2018 HydrophobicContact CD1-CG 4.25Å; L1995-F2018 HydrophobicContact CD1-CZ 3.48Å; L1995-F2018 VanDerWaalsContact CD1-CZ 3.48Å; V2004-F2018 HydrophobicContact CB-CE1 3.71Å; V2004-F2018 HydrophobicContact CB-CZ 4.13Å; V2004-F2018 HydrophobicContact CG1-CE1 4.22Å; V2004-F2018 HydrophobicContact CG2-CE1 3.67Å; V2004-F2018 HydrophobicContact CG2-CZ 3.61Å; I2014-F2018 HydrophobicContact CG2-CB 4.45Å; I2014-F2018 HydrophobicContact CG2-CD1 4.1Å; D2015-F2018 VanDerWaalsContact O-CB 3.26Å; D2015-F2018 WeakPolarHBondContact O-CB 3.32Å; D2015-F2018 PolarHBondContact O-N 2.89Å; T2016-F2018 PolarHBondContact O-N 2.91Å; F2018-S2020 PolarHBondContact O-N 3.39Å; F2018-S2020 VanDerWaalsContact O-N 3.11Å; F2018-D2021 HydrophobicContact CD2-CB 3.45Å; F2018-D2021 VanDerWaalsContact CD2-CB 3.45Å; F2018-D2021 HydrophobicContact CE2-CB 3.33Å; F2018-D2021 WeakPolarHBondContact CE2-OD2 3.33Å; F2018-D2021 HydrophobicContact CG-CB 4.2Å; F2018-D2021 HydrophobicContact CZ-CB 3.99Å; F2018-D2021 VanDerWaalsContact O-CB 3.25Å; F2018-D2021 WeakPolarHBondContact O-CB 3.12Å; F2018-D2021 PolarHBondContact O-N 3.12Å; F2018-R2023 HydrophobicContact CZ-CB 3.94Å; F2018-A2024 HydrophobicContact CD1-CB 3.81Å; F2018-A2024 HydrophobicContact CE1-CB 3.53Å; F2018-A2024 HydrophobicContact CZ-CB 4.21Å; F2018-A2024 WeakPolarHBondContact O-CB 3.49Å; F2018-Y2026 HydrophobicContact CD1-CE1 4.02Å; F2018-Y2026 HydrophobicContact CE1-CE1 4.17Å |
| 2019 | D | 87.4 | Confident | 88.4 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -59.3 | -26.8 | -178.7 | -74.2 | -19 | 0 | 0 | 0 | 114.8 | R2010 T2016 V2017 Y2026 | R2010-D2019 IonicContact CZ-OD1 2.86Å; R2010-D2019 IonicContact CZ-OD2 3.67Å; R2010-D2019 IonicContact NH1-OD1 3.66Å; R2010-D2019 PolarHBondContact NH1-OD1 2.76Å; R2010-D2019 IonicContact NH1-OD2 3.47Å; R2010-D2019 IonicContact NH2-OD1 3.21Å; R2010-D2019 PolarHBondContact NH2-OD1 2.74Å; R2010-D2019 IonicContact NH2-OD2 3.23Å; R2010-D2019 PolarHBondContact NH2-OD2 2.86Å; T2016-D2019 WeakPolarHBondContact O-CB 3.28Å; T2016-D2019 VanDerWaalsContact O-CG 3.27Å; T2016-D2019 PolarHBondContact O-N 2.86Å; T2016-D2019 VanDerWaalsContact O-N 3.1Å; V2017-D2019 VanDerWaalsContact C-N 3.25Å; V2017-D2019 PolarHBondContact O-N 3.09Å; D2019-Y2026 WeakPolarHBondContact OD1-CE2 3.12Å; D2019-Y2026 PolarHBondContact OD1-OH 2.87Å |
| 2020 | S | 81.5 | Confident | 88.5 | Confident | 110 Ų | 110 | 49.3 Ų | 49.3 | 77% | 0.769 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -86.8 | -7.1 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | V2017 F2018 | V2017-S2020 PolarHBondContact O-OG 3.44Å; F2018-S2020 PolarHBondContact O-N 3.39Å; F2018-S2020 VanDerWaalsContact O-N 3.11Å |
| 2021 | D | 85.5 | Confident | 88.7 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -75.6 | 132.1 | 178.4 | -167.7 | -61.4 | 0 | 0 | 0 | 110 | F2018 R2023 A2024 | F2018-D2021 HydrophobicContact CD2-CB 3.45Å; F2018-D2021 VanDerWaalsContact CD2-CB 3.45Å; F2018-D2021 HydrophobicContact CE2-CB 3.33Å; F2018-D2021 WeakPolarHBondContact CE2-OD2 3.33Å; F2018-D2021 HydrophobicContact CG-CB 4.2Å; F2018-D2021 HydrophobicContact CZ-CB 3.99Å; F2018-D2021 VanDerWaalsContact O-CB 3.25Å; F2018-D2021 WeakPolarHBondContact O-CB 3.12Å; F2018-D2021 PolarHBondContact O-N 3.12Å; D2021-R2023 PolarHBondContact O-N 3.07Å; D2021-R2023 VanDerWaalsContact O-N 3.08Å; D2021-R2023 WeakPolarHBondContact OD1-CB 3.48Å; D2021-R2023 VanDerWaalsContact OD1-CG 3.31Å; D2021-R2023 WeakPolarHBondContact OD1-CG 3.32Å; D2021-R2023 IonicContact OD1-CZ 3.22Å; D2021-R2023 PolarHBondContact OD1-N 3.38Å; D2021-R2023 IonicContact OD1-NE 3.91Å; D2021-R2023 PolarHBondContact OD1-NE 2.87Å; D2021-R2023 IonicContact OD1-NH2 2.8Å; D2021-R2023 IonicContact OD2-CZ 3.2Å; D2021-R2023 IonicContact OD2-NE 2.68Å; D2021-R2023 PolarHBondContact OD2-NE 3.47Å; D2021-R2023 IonicContact OD2-NH2 2.7Å; D2021-R2023 PolarHBondContact OD2-NH2 2.66Å; D2021-A2024 VanDerWaalsContact O-CB 3.23Å; D2021-A2024 WeakPolarHBondContact O-CB 3.32Å; D2021-A2024 PolarHBondContact O-N 3.03Å |
| 2022 | P | 84.2 | Confident | 89.1 | Confident | 105 Ų | 105 | 49.7 Ų | 49.7 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.3 | -179.7 | 21.8 | -32.7 | 0 | 0 | 0 | 113.5 | A2024 R2028 | P2022-A2024 VanDerWaalsContact C-N 3.25Å; P2022-A2024 PolarHBondContact O-N 3.33Å; P2022-R2028 PolarHBondContact O-NH2 3.43Å |
| 2023 | R | 89.2 | Confident | 89.4 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 17% | 0.17 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.4 | 177.7 | -59.8 | 174.5 | -68.6 | 179.5 | 1.7 | 113.2 | L1995 M2002 V2004 F2018 D2021 S2025 | L1995-R2023 PolarHBondContact O-NH1 3Å; M2002-R2023 WeakPolarHBondContact O-CB 3.31Å; M2002-R2023 WeakPolarHBondContact O-CD 3.22Å; M2002-R2023 WeakPolarHBondContact O-CG 3.43Å; V2004-R2023 PolarHBondContact N-O 3.21Å; F2018-R2023 HydrophobicContact CZ-CB 3.94Å; D2021-R2023 PolarHBondContact O-N 3.07Å; D2021-R2023 VanDerWaalsContact O-N 3.08Å; D2021-R2023 WeakPolarHBondContact OD1-CB 3.48Å; D2021-R2023 VanDerWaalsContact OD1-CG 3.31Å; D2021-R2023 WeakPolarHBondContact OD1-CG 3.32Å; D2021-R2023 IonicContact OD1-CZ 3.22Å; D2021-R2023 PolarHBondContact OD1-N 3.38Å; D2021-R2023 IonicContact OD1-NE 3.91Å; D2021-R2023 PolarHBondContact OD1-NE 2.87Å; D2021-R2023 IonicContact OD1-NH2 2.8Å; D2021-R2023 IonicContact OD2-CZ 3.2Å; D2021-R2023 IonicContact OD2-NE 2.68Å; D2021-R2023 PolarHBondContact OD2-NE 3.47Å; D2021-R2023 IonicContact OD2-NH2 2.7Å; D2021-R2023 PolarHBondContact OD2-NH2 2.66Å; R2023-S2025 PolarHBondContact O-N 2.65Å; R2023-S2025 VanDerWaalsContact O-N 3.08Å |
| 2024 | A | 91.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 95.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F2018 D2021 P2022 Y2026 R2028 | F2018-A2024 HydrophobicContact CD1-CB 3.81Å; F2018-A2024 HydrophobicContact CE1-CB 3.53Å; F2018-A2024 HydrophobicContact CZ-CB 4.21Å; F2018-A2024 WeakPolarHBondContact O-CB 3.49Å; D2021-A2024 VanDerWaalsContact O-CB 3.23Å; D2021-A2024 WeakPolarHBondContact O-CB 3.32Å; D2021-A2024 PolarHBondContact O-N 3.03Å; P2022-A2024 VanDerWaalsContact C-N 3.25Å; P2022-A2024 PolarHBondContact O-N 3.33Å; A2024-Y2026 HydrophobicContact CB-CD1 4.47Å; A2024-Y2026 HydrophobicContact CB-CE1 3.67Å; A2024-R2028 PolarHBondContact O-NH1 3.23Å |
| 2025 | S | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -97.3 | -10.1 | -177.1 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | V2004 M2005 R2023 F2027 R2028 Q2029 | V2004-S2025 PolarHBondContact O-N 3.09Å; V2004-S2025 VanDerWaalsContact O-N 3.08Å; V2004-S2025 PolarHBondContact O-OG 3.04Å; V2004-S2025 VanDerWaalsContact O-OG 3.07Å; M2005-S2025 VanDerWaalsContact CG-OG 3.23Å; M2005-S2025 WeakPolarHBondContact CG-OG 3.28Å; R2023-S2025 PolarHBondContact O-N 2.65Å; R2023-S2025 VanDerWaalsContact O-N 3.08Å; S2025-F2027 VanDerWaalsContact C-N 3.31Å; S2025-F2027 PolarHBondContact O-N 3.5Å; S2025-F2027 VanDerWaalsContact O-N 3.13Å; S2025-R2028 CarbonylContact O-C 3.55Å; S2025-R2028 WeakPolarHBondContact O-CA 3.5Å; S2025-R2028 PolarHBondContact O-N 3.11Å; S2025-Q2029 WeakPolarHBondContact O-CB 3.34Å; S2025-Q2029 PolarHBondContact O-N 3.4Å | ||
| 2026 | Y | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -28.3 | -172.5 | 43.5 | -98.8 | 0 | 0 | 0 | 116.3 | V2004 H2006 R2010 I2014 F2018 D2019 A2024 A2030 | V2004-Y2026 WeakPolarHBondContact O-CD1 3.22Å; H2006-Y2026 HydrophobicContact CB-CG 4.36Å; R2010-Y2026 PolarHBondContact NH1-OH 2.79Å; I2014-Y2026 HydrophobicContact CD1-CD1 4.18Å; I2014-Y2026 HydrophobicContact CD1-CE1 4.2Å; I2014-Y2026 HydrophobicContact CG2-CE1 4.19Å; F2018-Y2026 HydrophobicContact CD1-CE1 4.02Å; F2018-Y2026 HydrophobicContact CE1-CE1 4.17Å; D2019-Y2026 WeakPolarHBondContact OD1-CE2 3.12Å; D2019-Y2026 PolarHBondContact OD1-OH 2.87Å; A2024-Y2026 HydrophobicContact CB-CD1 4.47Å; A2024-Y2026 HydrophobicContact CB-CE1 3.67Å; Y2026-A2030 PolarHBondContact O-N 3.41Å |
| 2027 | F | 92.9 | Very high | 90.1 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 48% | 0.482 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -78.7 | -38.2 | 172.3 | -72.3 | -55.1 | 0 | 0 | 0 | 112.4 | L2008 S2025 A2030 E2031 | L2008-F2027 HydrophobicContact CD1-CD1 4.25Å; L2008-F2027 HydrophobicContact CD1-CE1 4.24Å; S2025-F2027 VanDerWaalsContact C-N 3.31Å; S2025-F2027 PolarHBondContact O-N 3.5Å; S2025-F2027 VanDerWaalsContact O-N 3.13Å; F2027-A2030 WeakPolarHBondContact O-CB 3.49Å; F2027-A2030 PolarHBondContact O-N 3.39Å; F2027-E2031 PolarHBondContact O-N 3.38Å; F2027-E2031 VanDerWaalsContact O-N 3.16Å |
| 2028 | R | 93 | Very high | 90.3 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 172.3 | -62.5 | -169.9 | -64.3 | -88.2 | 7.4 | 111.2 | E1893 P2022 A2024 S2025 A2030 E2031 Y2032 | E1893-R2028 IonicContact OE1-CZ 2.77Å; E1893-R2028 IonicContact OE1-NE 3.35Å; E1893-R2028 PolarHBondContact OE1-NE 3.39Å; E1893-R2028 IonicContact OE1-NH2 2.65Å; E1893-R2028 IonicContact OE2-CZ 3.22Å; E1893-R2028 IonicContact OE2-NE 3.91Å; E1893-R2028 PolarHBondContact OE2-NE 3.25Å; E1893-R2028 IonicContact OE2-NH2 2.92Å; E1893-R2028 PolarHBondContact OE2-NH2 2.89Å; P2022-R2028 PolarHBondContact O-NH2 3.43Å; A2024-R2028 PolarHBondContact O-NH1 3.23Å; S2025-R2028 CarbonylContact O-C 3.55Å; S2025-R2028 WeakPolarHBondContact O-CA 3.5Å; S2025-R2028 PolarHBondContact O-N 3.11Å; R2028-A2030 VanDerWaalsContact C-N 3.27Å; R2028-A2030 PolarHBondContact O-N 3.19Å; R2028-E2031 CarbonylContact O-C 3.44Å; R2028-E2031 WeakPolarHBondContact O-CA 3.1Å; R2028-E2031 WeakPolarHBondContact O-CB 3.49Å; R2028-E2031 PolarHBondContact O-N 3.38Å; R2028-E2031 VanDerWaalsContact O-N 3.07Å; R2028-Y2032 HydrophobicContact CB-CE2 4.01Å; R2028-Y2032 WeakPolarHBondContact O-CD2 3.18Å; R2028-Y2032 PolarHBondContact O-N 3.13Å |
| 2029 | Q | 94.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.3 | -44.5 | 169.5 | -176.1 | -175.2 | 7.3 | 0 | 0 | 111.5 | L1885 D1886 T1889 M2005 H2006 S2025 Y2032 G2033 | L1885-Q2029 HydrophobicContact CD1-CG 3.76Å; L1885-Q2029 VanDerWaalsContact CD1-O 3.3Å; L1885-Q2029 WeakPolarHBondContact CD1-O 3.26Å; D1886-Q2029 PolarHBondContact OD1-NE2 3.37Å; T1889-Q2029 HydrophobicContact CG2-CB 3.91Å; T1889-Q2029 HydrophobicContact CG2-CG 4.18Å; M2005-Q2029 HydrophobicContact CE-CG 4.18Å; H2006-Q2029 PolarHBondContact O-OE1 2.9Å; H2006-Q2029 VanDerWaalsContact O-OE1 3.13Å; S2025-Q2029 WeakPolarHBondContact O-CB 3.34Å; S2025-Q2029 PolarHBondContact O-N 3.4Å; Q2029-Y2032 PolarHBondContact O-N 3Å; Q2029-G2033 PolarHBondContact O-N 3.33Å; Q2029-G2033 VanDerWaalsContact O-N 3.16Å |
| 2030 | A | 90.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y2026 F2027 R2028 G2033 | Y2026-A2030 PolarHBondContact O-N 3.41Å; F2027-A2030 WeakPolarHBondContact O-CB 3.49Å; F2027-A2030 PolarHBondContact O-N 3.39Å; R2028-A2030 VanDerWaalsContact C-N 3.27Å; R2028-A2030 PolarHBondContact O-N 3.19Å; A2030-G2033 PolarHBondContact O-N 2.87Å |
| 2031 | E | 90.5 | Very high | 91 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 174.3 | 177.8 | 176.7 | -159.2 | 0 | 0 | 111.9 | F2027 R2028 G2033 M2034 Y2035 | F2027-E2031 PolarHBondContact O-N 3.38Å; F2027-E2031 VanDerWaalsContact O-N 3.16Å; R2028-E2031 CarbonylContact O-C 3.44Å; R2028-E2031 WeakPolarHBondContact O-CA 3.1Å; R2028-E2031 WeakPolarHBondContact O-CB 3.49Å; R2028-E2031 PolarHBondContact O-N 3.38Å; R2028-E2031 VanDerWaalsContact O-N 3.07Å; E2031-G2033 PolarHBondContact O-N 2.99Å; E2031-G2033 VanDerWaalsContact O-N 3.11Å; E2031-M2034 VanDerWaalsContact O-CB 3.29Å; E2031-M2034 WeakPolarHBondContact O-CB 3.26Å; E2031-M2034 PolarHBondContact O-N 2.9Å; E2031-Y2035 HydrophobicContact CG-CE2 4.04Å; E2031-Y2035 PolarHBondContact OE1-OH 2.87Å |
| 2032 | Y | 93.2 | Very high | 90.9 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -27.5 | 175.3 | -64.1 | -24.4 | 0 | 0 | 0 | 113.2 | F1888 T1889 E1892 E1893 R2028 Q2029 M2034 Y2035 V2036 | F1888-Y2032 HydrophobicContact CD1-CD2 4.48Å; F1888-Y2032 HydrophobicContact CD1-CG 4.12Å; F1888-Y2032 HydrophobicContact CE1-CD1 4.09Å; F1888-Y2032 AromaticContact CE1-CG 3.96Å; F1888-Y2032 HydrophobicContact CE1-CG 3.96Å; T1889-Y2032 HydrophobicContact CG2-CD2 3.91Å; T1889-Y2032 HydrophobicContact CG2-CE2 4.13Å; E1892-Y2032 HydrophobicContact CB-CE2 4.37Å; E1893-Y2032 HydrophobicContact CG-CE2 4.31Å; E1893-Y2032 PolarHBondContact OE1-OH 2.94Å; R2028-Y2032 HydrophobicContact CB-CE2 4.01Å; R2028-Y2032 WeakPolarHBondContact O-CD2 3.18Å; R2028-Y2032 PolarHBondContact O-N 3.13Å; Q2029-Y2032 PolarHBondContact O-N 3Å; Y2032-M2034 PolarHBondContact O-N 3.32Å; Y2032-Y2035 AromaticContact CD1-CD2 3.92Å; Y2032-Y2035 HydrophobicContact CD1-CD2 3.92Å; Y2032-Y2035 AromaticContact CD1-CE2 3.99Å; Y2032-Y2035 HydrophobicContact CD1-CE2 3.99Å; Y2032-Y2035 PolarHBondContact O-N 3.5Å; Y2032-Y2035 VanDerWaalsContact O-N 3.17Å; Y2032-V2036 PolarHBondContact O-N 2.77Å |
| 2033 | G | 90.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.9 | -27.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q2029 A2030 E2031 R2037 | Q2029-G2033 PolarHBondContact O-N 3.33Å; Q2029-G2033 VanDerWaalsContact O-N 3.16Å; A2030-G2033 PolarHBondContact O-N 2.87Å; E2031-G2033 PolarHBondContact O-N 2.99Å; E2031-G2033 VanDerWaalsContact O-N 3.11Å; G2033-R2037 VanDerWaalsContact CA-NH1 3.28Å; G2033-R2037 WeakPolarHBondContact O-CB 3.29Å; G2033-R2037 WeakPolarHBondContact O-CD 3.33Å; G2033-R2037 WeakPolarHBondContact O-CG 3.46Å; G2033-R2037 PolarHBondContact O-N 2.79Å; G2033-R2037 PolarHBondContact O-NH1 3.25Å |
| 2034 | M | 91.7 | Very high | 90.4 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 17% | 0.172 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.9 | -50.5 | 172.2 | -176.5 | -172.8 | 70.6 | 0 | 0 | 110.7 | A1809 A1810 H1813 E2031 Y2032 V2036 R2037 M2038 | A1809-M2034 HydrophobicContact CB-CG 4.42Å; A1809-M2034 HydrophobicContact CB-SD 4.18Å; A1810-M2034 HydrophobicContact CB-CG 4.35Å; H1813-M2034 VanDerWaalsContact CD2-SD 3.52Å; E2031-M2034 VanDerWaalsContact O-CB 3.29Å; E2031-M2034 WeakPolarHBondContact O-CB 3.26Å; E2031-M2034 PolarHBondContact O-N 2.9Å; Y2032-M2034 PolarHBondContact O-N 3.32Å; M2034-V2036 PolarHBondContact O-N 2.95Å; M2034-R2037 CarbonylContact O-C 3.47Å; M2034-R2037 PolarHBondContact O-N 2.91Å; M2034-R2037 VanDerWaalsContact O-N 3.11Å; M2034-M2038 HydrophobicContact CE-SD 4.27Å; M2034-M2038 HydrophobicContact CG-CG 4.47Å; M2034-M2038 HydrophobicContact CG-SD 4.2Å; M2034-M2038 WeakPolarHBondContact O-CG 3.21Å; M2034-M2038 PolarHBondContact O-N 2.82Å |
| 2035 | Y | 89.9 | Confident | 89.6 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | -176.9 | -53.7 | -48.9 | 0 | 0 | 0 | 112.6 | E2031 Y2032 R2037 M2038 A2039 | E2031-Y2035 HydrophobicContact CG-CE2 4.04Å; E2031-Y2035 PolarHBondContact OE1-OH 2.87Å; Y2032-Y2035 AromaticContact CD1-CD2 3.92Å; Y2032-Y2035 HydrophobicContact CD1-CD2 3.92Å; Y2032-Y2035 AromaticContact CD1-CE2 3.99Å; Y2032-Y2035 HydrophobicContact CD1-CE2 3.99Å; Y2032-Y2035 PolarHBondContact O-N 3.5Å; Y2032-Y2035 VanDerWaalsContact O-N 3.17Å; Y2035-R2037 VanDerWaalsContact C-N 3.27Å; Y2035-R2037 PolarHBondContact O-N 2.91Å; Y2035-M2038 HydrophobicContact CD1-SD 4.31Å; Y2035-M2038 WeakPolarHBondContact O-CB 3.42Å; Y2035-M2038 PolarHBondContact O-N 2.89Å; Y2035-A2039 PolarHBondContact O-N 3.36Å |
| 2036 | V | 92.8 | Very high | 88 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -37.3 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L1884 L1885 F1888 Y2032 M2034 A2039 L2040 | L1884-V2036 HydrophobicContact CB-CG1 4.04Å; L1885-V2036 HydrophobicContact CB-CB 4.09Å; L1885-V2036 HydrophobicContact CB-CG1 4.2Å; L1885-V2036 HydrophobicContact CB-CG2 4.08Å; F1888-V2036 HydrophobicContact CB-CG2 3.73Å; F1888-V2036 HydrophobicContact CD1-CG2 3.76Å; F1888-V2036 HydrophobicContact CD2-CG2 4.34Å; F1888-V2036 HydrophobicContact CE1-CG2 4.46Å; F1888-V2036 HydrophobicContact CG-CG2 3.67Å; Y2032-V2036 PolarHBondContact O-N 2.77Å; M2034-V2036 PolarHBondContact O-N 2.95Å; V2036-A2039 PolarHBondContact O-N 2.98Å; V2036-L2040 HydrophobicContact CG1-CD1 4.11Å; V2036-L2040 WeakPolarHBondContact O-CB 3.42Å; V2036-L2040 VanDerWaalsContact O-CG 3.25Å; V2036-L2040 WeakPolarHBondContact O-CG 3.46Å; V2036-L2040 PolarHBondContact O-N 2.88Å |
| 2037 | R | 94 | Very high | 85.5 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.6 | -33 | 176.2 | -70.3 | 172.2 | -178.4 | 107.1 | -1.3 | 112.5 | S1806 F1807 A1810 G2033 M2034 Y2035 L2040 L2041 | S1806-R2037 VanDerWaalsContact CB-NH1 3.34Å; S1806-R2037 WeakPolarHBondContact OG-CD 3.38Å; S1806-R2037 PolarHBondContact OG-NE 3.01Å; S1806-R2037 PolarHBondContact OG-NH1 3.38Å; F1807-R2037 HydrophobicContact CD1-CB 4Å; F1807-R2037 HydrophobicContact CD1-CG 4.03Å; F1807-R2037 VanDerWaalsContact CD2-CD 3.49Å; F1807-R2037 HydrophobicContact CD2-CG 4.28Å; F1807-R2037 HydrophobicContact CE1-CB 3.91Å; F1807-R2037 HydrophobicContact CE1-CG 3.7Å; F1807-R2037 HydrophobicContact CE2-CG 3.98Å; F1807-R2037 VanDerWaalsContact CE2-NE 3.33Å; F1807-R2037 HydrophobicContact CG-CG 4.29Å; F1807-R2037 HydrophobicContact CZ-CB 4.39Å; F1807-R2037 HydrophobicContact CZ-CG 3.66Å; A1810-R2037 HydrophobicContact CB-CB 3.97Å; G2033-R2037 VanDerWaalsContact CA-NH1 3.28Å; G2033-R2037 WeakPolarHBondContact O-CB 3.29Å; G2033-R2037 WeakPolarHBondContact O-CD 3.33Å; G2033-R2037 WeakPolarHBondContact O-CG 3.46Å; G2033-R2037 PolarHBondContact O-N 2.79Å; G2033-R2037 PolarHBondContact O-NH1 3.25Å; M2034-R2037 CarbonylContact O-C 3.47Å; M2034-R2037 PolarHBondContact O-N 2.91Å; M2034-R2037 VanDerWaalsContact O-N 3.11Å; Y2035-R2037 VanDerWaalsContact C-N 3.27Å; Y2035-R2037 PolarHBondContact O-N 2.91Å; R2037-L2040 PolarHBondContact O-N 3.3Å; R2037-L2041 WeakPolarHBondContact O-CB 3.32Å; R2037-L2041 VanDerWaalsContact O-CG 3.27Å; R2037-L2041 WeakPolarHBondContact O-CG 3.33Å; R2037-L2041 PolarHBondContact O-N 3.21Å |
| 2038 | M | 90.3 | Very high | 82.6 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -51.5 | 170.2 | -70.2 | 172.8 | 68.7 | 0 | 0 | 110 | A1810 H1813 L1814 M2034 Y2035 L2040 L2041 S2042 | A1810-M2038 HydrophobicContact CB-CB 4.31Å; A1810-M2038 HydrophobicContact CB-CG 3.44Å; A1810-M2038 VanDerWaalsContact CB-CG 3.44Å; H1813-M2038 HydrophobicContact CB-CE 3.9Å; H1813-M2038 HydrophobicContact CB-SD 4.15Å; L1814-M2038 HydrophobicContact CD1-CB 3.99Å; L1814-M2038 HydrophobicContact CD1-CG 4.26Å; L1814-M2038 WeakPolarHBondContact CD1-O 3.44Å; L1814-M2038 HydrophobicContact CD2-CB 4.45Å; L1814-M2038 HydrophobicContact CD2-CE 3.81Å; L1814-M2038 HydrophobicContact CG-CB 4.3Å; L1814-M2038 HydrophobicContact CG-CE 4.07Å; L1814-M2038 HydrophobicContact CG-CG 4.24Å; M2034-M2038 HydrophobicContact CE-SD 4.27Å; M2034-M2038 HydrophobicContact CG-CG 4.47Å; M2034-M2038 HydrophobicContact CG-SD 4.2Å; M2034-M2038 WeakPolarHBondContact O-CG 3.21Å; M2034-M2038 PolarHBondContact O-N 2.82Å; Y2035-M2038 HydrophobicContact CD1-SD 4.31Å; Y2035-M2038 WeakPolarHBondContact O-CB 3.42Å; Y2035-M2038 PolarHBondContact O-N 2.89Å; M2038-L2040 VanDerWaalsContact C-N 3.33Å; M2038-L2040 PolarHBondContact O-N 2.97Å; M2038-L2041 PolarHBondContact O-N 3.07Å; M2038-S2042 PolarHBondContact O-N 3.16Å; M2038-S2042 PolarHBondContact O-OG 3.11Å |
| 2039 | A | 87.7 | Confident | 82.1 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y2035 V2036 S2042 M2043 | Y2035-A2039 PolarHBondContact O-N 3.36Å; V2036-A2039 PolarHBondContact O-N 2.98Å; A2039-S2042 PolarHBondContact O-N 3.36Å; A2039-M2043 WeakPolarHBondContact O-CB 3.21Å; A2039-M2043 VanDerWaalsContact O-CG 3.25Å; A2039-M2043 WeakPolarHBondContact O-CG 3.38Å; A2039-M2043 PolarHBondContact O-N 3.3Å |
| 2040 | L | 90.2 | Very high | 81.4 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 20% | 0.199 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 176.7 | -76 | 169.4 | 0 | 0 | 0 | 112.7 | T1881 L1884 V2036 R2037 M2038 M2043 V2044 | T1881-L2040 HydrophobicContact CG2-CD1 4.08Å; L1884-L2040 HydrophobicContact CD1-CD1 4.09Å; L1884-L2040 HydrophobicContact CD1-CD2 4.02Å; V2036-L2040 HydrophobicContact CG1-CD1 4.11Å; V2036-L2040 WeakPolarHBondContact O-CB 3.42Å; V2036-L2040 VanDerWaalsContact O-CG 3.25Å; V2036-L2040 WeakPolarHBondContact O-CG 3.46Å; V2036-L2040 PolarHBondContact O-N 2.88Å; R2037-L2040 PolarHBondContact O-N 3.3Å; M2038-L2040 VanDerWaalsContact C-N 3.33Å; M2038-L2040 PolarHBondContact O-N 2.97Å; L2040-M2043 PolarHBondContact O-N 3.18Å; L2040-V2044 WeakPolarHBondContact O-CB 3.4Å; L2040-V2044 VanDerWaalsContact O-CG2 3.24Å; L2040-V2044 WeakPolarHBondContact O-CG2 3.47Å; L2040-V2044 PolarHBondContact O-N 3.37Å |
| 2041 | L | 92.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 177.8 | -74.5 | 168.1 | 0 | 0 | 0 | 110.9 | L1787 M1792 F1807 A1810 M1811 L1814 V1847 I1870 R2037 M2038 M2043 V2044 F2045 | L1787-L2041 HydrophobicContact CD1-CB 3.95Å; M1792-L2041 HydrophobicContact SD-CD1 4.14Å; M1792-L2041 HydrophobicContact SD-CD2 3.88Å; F1807-L2041 HydrophobicContact CD1-CD1 4.32Å; A1810-L2041 HydrophobicContact CB-CD1 4.01Å; M1811-L2041 HydrophobicContact CB-CD1 4.08Å; M1811-L2041 HydrophobicContact SD-CD1 4.13Å; M1811-L2041 HydrophobicContact SD-CD2 4.43Å; L1814-L2041 HydrophobicContact CD1-CB 4.04Å; V1847-L2041 HydrophobicContact CG1-CD2 4.1Å; I1870-L2041 HydrophobicContact CD1-CD2 3.95Å; R2037-L2041 WeakPolarHBondContact O-CB 3.32Å; R2037-L2041 VanDerWaalsContact O-CG 3.27Å; R2037-L2041 WeakPolarHBondContact O-CG 3.33Å; R2037-L2041 PolarHBondContact O-N 3.21Å; M2038-L2041 PolarHBondContact O-N 3.07Å; L2041-M2043 PolarHBondContact O-N 3.41Å; L2041-V2044 PolarHBondContact O-N 3.48Å; L2041-F2045 WeakPolarHBondContact O-CD2 3.27Å; L2041-F2045 PolarHBondContact O-N 3.39Å |
| 2042 | S | 82.3 | Confident | 80.4 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 175.8 | -66.1 | 0 | 0 | 0 | 0 | 112 | M2038 A2039 V2044 F2045 D2046 | M2038-S2042 PolarHBondContact O-N 3.16Å; M2038-S2042 PolarHBondContact O-OG 3.11Å; A2039-S2042 PolarHBondContact O-N 3.36Å; S2042-V2044 PolarHBondContact O-N 3.29Å; S2042-F2045 CarbonylContact O-C 3.49Å; S2042-F2045 PolarHBondContact O-N 3Å; S2042-D2046 PolarHBondContact O-N 2.85Å |
| 2043 | M | 80.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 57% | 0.567 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 178.2 | -74.8 | 179.8 | 69.5 | 0 | 0 | 112.8 | A2039 L2040 L2041 F2045 D2046 E2047 | A2039-M2043 WeakPolarHBondContact O-CB 3.21Å; A2039-M2043 VanDerWaalsContact O-CG 3.25Å; A2039-M2043 WeakPolarHBondContact O-CG 3.38Å; A2039-M2043 PolarHBondContact O-N 3.3Å; L2040-M2043 PolarHBondContact O-N 3.18Å; L2041-M2043 PolarHBondContact O-N 3.41Å; M2043-F2045 PolarHBondContact O-N 3.31Å; M2043-D2046 PolarHBondContact O-N 3.39Å; M2043-E2047 PolarHBondContact O-N 2.86Å; M2043-E2047 VanDerWaalsContact O-N 3.1Å |
| 2044 | V | 82.2 | Confident | 78.8 | Confident | 32 Ų | 32 | 67.3 Ų | 67.3 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -30.6 | 177.5 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | V1847 P1868 I1870 L2040 L2041 S2042 Y2048 | V1847-V2044 HydrophobicContact CG2-CG1 4.42Å; P1868-V2044 HydrophobicContact CB-CG1 3.63Å; P1868-V2044 HydrophobicContact CG-CG1 3.79Å; I1870-V2044 HydrophobicContact CD1-CG2 4.5Å; L2040-V2044 WeakPolarHBondContact O-CB 3.4Å; L2040-V2044 VanDerWaalsContact O-CG2 3.24Å; L2040-V2044 WeakPolarHBondContact O-CG2 3.47Å; L2040-V2044 PolarHBondContact O-N 3.37Å; L2041-V2044 PolarHBondContact O-N 3.48Å; S2042-V2044 PolarHBondContact O-N 3.29Å; V2044-Y2048 WeakPolarHBondContact O-CD2 3.37Å |
| 2045 | F | 75.5 | Confident | 77.9 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -93.1 | -15.3 | 177.3 | -74.9 | -63.9 | 0 | 0 | 0 | 115 | L1787 R1790 M1811 D1846 V1847 L2041 S2042 M2043 | L1787-F2045 HydrophobicContact CD1-CD2 3.81Å; L1787-F2045 HydrophobicContact CD1-CE2 4.11Å; L1787-F2045 HydrophobicContact CD2-CB 3.73Å; L1787-F2045 HydrophobicContact CD2-CD2 3.4Å; L1787-F2045 HydrophobicContact CD2-CE2 4.24Å; L1787-F2045 HydrophobicContact CD2-CG 3.75Å; L1787-F2045 HydrophobicContact CG-CD2 4.24Å; R1790-F2045 HydrophobicContact CB-CZ 4.34Å; R1790-F2045 HydrophobicContact CG-CE1 4.46Å; M1811-F2045 HydrophobicContact CE-CE2 4.38Å; D1846-F2045 HydrophobicContact CB-CE1 3.64Å; D1846-F2045 HydrophobicContact CB-CZ 3.66Å; V1847-F2045 HydrophobicContact CB-CE2 4.28Å; V1847-F2045 HydrophobicContact CB-CZ 3.86Å; V1847-F2045 HydrophobicContact CG1-CE2 3.82Å; V1847-F2045 HydrophobicContact CG1-CZ 3.68Å; L2041-F2045 WeakPolarHBondContact O-CD2 3.27Å; L2041-F2045 PolarHBondContact O-N 3.39Å; S2042-F2045 CarbonylContact O-C 3.49Å; S2042-F2045 PolarHBondContact O-N 3Å; M2043-F2045 PolarHBondContact O-N 3.31Å |
| 2046 | D | 59.6 | Low | 77 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -83 | -28.9 | 172.3 | -104.9 | -2.7 | 0 | 0 | 0 | 111.6 | S2042 M2043 Y2048 | S2042-D2046 PolarHBondContact O-N 2.85Å; M2043-D2046 PolarHBondContact O-N 3.39Å; D2046-Y2048 VanDerWaalsContact C-N 3.32Å |
| 2047 | E | 40.6 | Very low | 75.7 | Confident | 169 Ų | 169 | 71.5 Ų | 71.5 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | trans | -80.3 | -9.5 | 174.2 | -74.5 | -170.5 | 165.6 | 0 | 0 | 113.7 | M2043 | M2043-E2047 PolarHBondContact O-N 2.86Å; M2043-E2047 VanDerWaalsContact O-N 3.1Å | ||
| 2048 | Y | 32.9 | Very low | 74 | Confident | 210 Ų | 210 | 77.5 Ų | 77.5 | 82% | 0.824 | 39% | 0.387 | S | S | * | . | trans | -117.1 | 0 | -179.5 | -93.8 | -87.4 | 0 | 0 | 0 | 112.2 | P1868 V2044 D2046 | P1868-Y2048 HydrophobicContact CG-CD2 3.98Å; P1868-Y2048 HydrophobicContact CG-CE2 3.53Å; V2044-Y2048 WeakPolarHBondContact O-CD2 3.37Å; D2046-Y2048 VanDerWaalsContact C-N 3.32Å |
Retrieved 2,048 of 2,048 residues in 2507.4 ms
(Link to these results)