| 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 | 64 | Low | 86.7 | Confident | 196 Ų | 196 | 82.3 Ų | 82.3 | 97% | 0.966 | 49% | 0.491 | S | S | * | . | 0 | -57.2 | 0 | -139 | 176.8 | -155 | 0 | 0 | 110.2 | |||||
| 2 | F | 74.7 | Confident | 87.2 | Confident | 56 Ų | 56 | 78 Ų | 78 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | trans | -91.3 | -12.4 | 164.9 | -61.4 | -58.1 | 0 | 0 | 0 | 114.7 | V5 L45 M52 V55 V83 Y92 | F2-V5 HydrophobicContact CB-CG1 3.44Å; F2-V5 VanDerWaalsContact CB-CG1 3.44Å; F2-V5 HydrophobicContact CG-CG1 4.28Å; F2-L45 HydrophobicContact CE2-CD1 4.39Å; F2-M52 HydrophobicContact CD2-SD 4.41Å; F2-M52 HydrophobicContact CE1-SD 4.23Å; F2-M52 HydrophobicContact CE2-CE 3.66Å; F2-M52 HydrophobicContact CE2-SD 3.23Å; F2-M52 WeakPolarHBondContact CE2-SD 3.27Å; F2-M52 HydrophobicContact CZ-CE 3.78Å; F2-M52 HydrophobicContact CZ-SD 3.12Å; F2-M52 WeakPolarHBondContact CZ-SD 3.08Å; F2-V55 HydrophobicContact CE1-CG1 3.71Å; F2-V55 HydrophobicContact CZ-CB 4.38Å; F2-V55 HydrophobicContact CZ-CG1 3.98Å; F2-V55 HydrophobicContact CZ-CG2 4.4Å; F2-V83 HydrophobicContact CD1-CG2 4.36Å; F2-V83 HydrophobicContact CD2-CG1 3.99Å; F2-V83 HydrophobicContact CE1-CG2 3.98Å; F2-V83 HydrophobicContact CE2-CG1 3.97Å; F2-V83 HydrophobicContact CE2-CG2 4.35Å; F2-V83 HydrophobicContact CG-CG1 4.41Å; F2-V83 HydrophobicContact CZ-CG1 4.4Å; F2-V83 HydrophobicContact CZ-CG2 3.94Å; F2-Y92 HydrophobicContact CD2-CD1 4.26Å; F2-Y92 HydrophobicContact CD2-CE1 4.16Å | ||
| 3 | G | 78.5 | Confident | 87.6 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | trans | 73.3 | -151.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V5 | G3-V5 PolarHBondContact O-N 3.4Š| ||
| 4 | D | 86.7 | Confident | 87.8 | Confident | 175 Ų | 175 | 77.1 Ų | 77.1 | 94% | 0.936 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -71.8 | 118.3 | 170.6 | -69.2 | -30.8 | 0 | 0 | 0 | 109.5 | ||
| 5 | V | 93.2 | Very high | 88.1 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | trans | -107.8 | 147.9 | 173.4 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | F2 G3 V83 Q85 Y92 | F2-V5 HydrophobicContact CB-CG1 3.44Å; F2-V5 VanDerWaalsContact CB-CG1 3.44Å; F2-V5 HydrophobicContact CG-CG1 4.28Å; G3-V5 PolarHBondContact O-N 3.4Å; V5-V83 HydrophobicContact CG1-CB 4.38Å; V5-V83 HydrophobicContact CG1-CG1 4.31Å; V5-Q85 HydrophobicContact CG2-CB 3.58Å; V5-Y92 HydrophobicContact CG2-CD1 4.19Å; V5-Y92 HydrophobicContact CG2-CE1 3.79Å | ||
| 6 | P | 96.1 | Very high | 88.1 | Confident | 63 Ų | 63 | 73.4 Ų | 73.4 | 41% | 0.409 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 149.7 | 176.4 | 24 | -34.3 | 0 | 0 | 0 | 112.1 | V83 F84 Q85 | P6-V83 WeakPolarHBondContact CD-O 3.29Å; P6-F84 HydrophobicContact CB-CD1 3.86Å; P6-F84 HydrophobicContact CB-CE1 3.79Å; P6-F84 HydrophobicContact CG-CD1 3.58Å; P6-F84 HydrophobicContact CG-CD2 4.48Å; P6-F84 HydrophobicContact CG-CE1 3.48Å; P6-F84 VanDerWaalsContact CG-CE1 3.48Å; P6-F84 HydrophobicContact CG-CE2 4.36Å; P6-F84 HydrophobicContact CG-CG 4.1Å; P6-F84 HydrophobicContact CG-CZ 3.89Å; P6-F84 VanDerWaalsContact O-CA 3.3Å; P6-F84 WeakPolarHBondContact O-CA 3.38Å; P6-Q85 PolarHBondContact O-N 2.97Å |
| 7 | P | 95.6 | Very high | 88.2 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | B | Isolated β-bridge | trans | -68.4 | 143.7 | 174.9 | 29.6 | -34.4 | 0 | 0 | 0 | 110.7 | Q85 P87 | P7-Q85 CarbonylContact C-O 3.56Å; P7-Q85 WeakPolarHBondContact CA-O 3.38Å; P7-P87 HydrophobicContact CB-CG 3.86Å |
| 8 | L | 94 | Very high | 88.2 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 130.3 | 169.5 | -176 | 71.5 | 0 | 0 | 0 | 109.4 | L33 Y42 F84 Q85 C86 Y93 | L8-L33 HydrophobicContact CD2-CD1 3.87Å; L8-Y42 HydrophobicContact CD1-CD1 3.54Å; L8-Y42 HydrophobicContact CD1-CD2 3.97Å; L8-Y42 HydrophobicContact CD1-CE1 4.1Å; L8-Y42 HydrophobicContact CD1-CE2 4.46Å; L8-Y42 HydrophobicContact CD1-CG 3.48Å; L8-Y42 VanDerWaalsContact CD1-CG 3.48Å; L8-F84 HydrophobicContact CD1-CB 4.48Å; L8-Q85 PolarHBondContact N-O 3.11Å; L8-C86 HydrophobicContact CD2-CB 4.18Å; L8-Y93 HydrophobicContact CD1-CD2 4.29Å; L8-Y93 HydrophobicContact CD1-CG 4.11Å; L8-Y93 HydrophobicContact CD2-CD2 4.07Å; L8-Y93 HydrophobicContact CD2-CE2 4.02Å |
| 9 | P | 93.6 | Very high | 88.3 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 144.3 | 178.1 | -27.5 | 38.4 | 0 | 0 | 0 | 113 | C11 T12 Y42 | P9-C11 VanDerWaalsContact C-N 3.33Å; P9-T12 HydrophobicContact CB-CG2 4.44Å; P9-T12 WeakPolarHBondContact O-CG2 3.4Å; P9-T12 PolarHBondContact O-OG1 3.1Å; P9-Y42 HydrophobicContact CG-CE2 4.28Å; P9-Y42 VanDerWaalsContact CG-OH 3.31Å; P9-Y42 WeakPolarHBondContact CG-OH 3.48Å |
| 10 | T | 89 | Confident | 88.2 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 87% | 0.871 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -74.7 | -24.9 | 177.7 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | T12 | T10-T12 PolarHBondContact O-N 3.15Š|
| 11 | C | 88.6 | Confident | 87.6 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -82.6 | 53.9 | 177.7 | 58.3 | 0 | 0 | 0 | 0 | 112 | P9 K36 | P9-C11 VanDerWaalsContact C-N 3.33Å; C11-K36 WeakPolarHBondContact O-CG 3.28Å; C11-K36 PolarHBondContact O-N 2.79Å |
| 12 | T | 92.5 | Very high | 87.5 | Confident | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 155 | 177.6 | 48.9 | 0 | 0 | 0 | 0 | 112 | P9 T10 L33 R34 K36 Y42 | P9-T12 HydrophobicContact CB-CG2 4.44Å; P9-T12 WeakPolarHBondContact O-CG2 3.4Å; P9-T12 PolarHBondContact O-OG1 3.1Å; T10-T12 PolarHBondContact O-N 3.15Å; T12-L33 HydrophobicContact CG2-CB 4.46Å; T12-R34 CarbonylContact C-O 3.58Å; T12-R34 WeakPolarHBondContact CA-O 3.27Å; T12-K36 WeakPolarHBondContact O-CE 3.3Å; T12-Y42 HydrophobicContact CG2-CD2 3.68Å; T12-Y42 HydrophobicContact CG2-CE2 3.72Å |
| 13 | E | 92.3 | Very high | 86.3 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 165.9 | 172.6 | 57.3 | -172.2 | -168.1 | 0 | 0 | 111.7 | Y15 L33 R34 K36 | E13-Y15 PolarHBondContact O-N 3.23Å; E13-L33 CarbonylContact O-C 3.56Å; E13-L33 VanDerWaalsContact O-CA 3.22Å; E13-L33 WeakPolarHBondContact O-CA 3.4Å; E13-R34 HydrophobicContact CG-CB 4.37Å; E13-R34 PolarHBondContact N-O 2.99Å; E13-R34 PolarHBondContact O-N 2.86Å; E13-K36 HydrophobicContact CG-CG 4Å; E13-K36 WeakPolarHBondContact OE2-CE 3.34Å; E13-K36 IonicContact OE2-NZ 3.73Å; E13-K36 PolarHBondContact OE2-NZ 2.74Å |
| 14 | S | 91.1 | Very high | 84.8 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 131.5 | 174 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | A16 E31 | S14-A16 PolarHBondContact O-N 3.24Å; S14-E31 WeakPolarHBondContact CA-OE1 3.45Å; S14-E31 WeakPolarHBondContact CB-OE1 3.25Å; S14-E31 PolarHBondContact OG-OE1 2.9Å |
| 15 | Y | 91.8 | Very high | 82.8 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 10% | 0.102 | 38% | 0.378 | C | S | . | . | trans | -78.7 | 106.3 | 178 | -172.9 | -116.3 | 0 | 0 | 0 | 111.6 | E13 F17 Q18 I32 R34 I41 D98 V100 | E13-Y15 PolarHBondContact O-N 3.23Å; Y15-F17 VanDerWaalsContact C-N 3.29Å; Y15-F17 HydrophobicContact CE1-CB 4.12Å; Y15-F17 PolarHBondContact O-N 3.36Å; Y15-Q18 HydrophobicContact CD1-CB 4.08Å; Y15-I32 WeakPolarHBondContact CB-O 3.38Å; Y15-I32 HydrophobicContact CD1-CB 4.29Å; Y15-I32 HydrophobicContact CD1-CG2 3.92Å; Y15-I32 HydrophobicContact CG-CB 4.44Å; Y15-I32 HydrophobicContact CG-CG2 3.92Å; Y15-I32 PolarHBondContact N-O 3.49Å; Y15-R34 HydrophobicContact CD2-CB 4.07Å; Y15-R34 HydrophobicContact CD2-CG 4.25Å; Y15-I41 HydrophobicContact CD2-CG2 3.7Å; Y15-I41 HydrophobicContact CE2-CG2 3.58Å; Y15-I41 HydrophobicContact CG-CG2 4.34Å; Y15-D98 WeakPolarHBondContact CE2-OD1 3.23Å; Y15-D98 PolarHBondContact OH-OD1 2.71Å; Y15-V100 HydrophobicContact CE2-CG2 4.17Å; Y15-V100 WeakPolarHBondContact OH-CG2 3.28Å | ||
| 16 | A | 87.8 | Confident | 80.2 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 56% | 0.562 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S14 K156 | S14-A16 PolarHBondContact O-N 3.24Å; A16-K156 PolarHBondContact O-NZ 3.42Å |
| 17 | F | 89.9 | Confident | 77.9 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 19% | 0.193 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 15.6 | -171.5 | -61.8 | -55.8 | 0 | 0 | 0 | 114.1 | Y15 V19 V100 P106 I108 | Y15-F17 VanDerWaalsContact C-N 3.29Å; Y15-F17 HydrophobicContact CE1-CB 4.12Å; Y15-F17 PolarHBondContact O-N 3.36Å; F17-V19 PolarHBondContact O-N 3.49Å; F17-V100 HydrophobicContact CB-CG2 3.89Å; F17-V100 HydrophobicContact CD2-CG2 3.44Å; F17-V100 VanDerWaalsContact CD2-CG2 3.44Å; F17-V100 HydrophobicContact CE2-CG2 4.23Å; F17-V100 HydrophobicContact CG-CG2 3.94Å; F17-P106 HydrophobicContact CD1-CG 3.96Å; F17-P106 HydrophobicContact CE1-CG 3.92Å; F17-P106 HydrophobicContact CG-CG 4.28Å; F17-P106 HydrophobicContact CZ-CG 4.21Å; F17-I108 HydrophobicContact CB-CD1 3.82Å; F17-I108 HydrophobicContact CG-CD1 4.44Å |
| 18 | Q | 89.2 | Confident | 75.7 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 15% | 0.15 | 42% | 0.418 | C | S | . | . | trans | -67.6 | 122 | 169.6 | -171 | 173.3 | -7.7 | 0 | 0 | 110.1 | Y15 A20 I32 | Y15-Q18 HydrophobicContact CD1-CB 4.08Å; Q18-A20 VanDerWaalsContact CG-O 3.24Å; Q18-A20 WeakPolarHBondContact CG-O 3.45Å; Q18-A20 PolarHBondContact NE2-O 3.18Å; Q18-I32 HydrophobicContact CG-CD1 4.2Å | ||
| 19 | V | 89.2 | Confident | 73.9 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 11% | 0.109 | 43% | 0.433 | C | S | . | . | trans | -105 | -22.5 | 179.4 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | F17 I108 D110 G143 Q145 L220 | F17-V19 PolarHBondContact O-N 3.49Å; V19-I108 HydrophobicContact CB-CG2 4.46Å; V19-I108 HydrophobicContact CG1-CB 3.73Å; V19-I108 HydrophobicContact CG1-CD1 4.26Å; V19-I108 HydrophobicContact CG1-CG2 3.82Å; V19-I108 HydrophobicContact CG2-CG2 3.77Å; V19-D110 HydrophobicContact CG2-CB 3.83Å; V19-G143 WeakPolarHBondContact O-CA 3.23Å; V19-Q145 HydrophobicContact CG1-CB 3.48Å; V19-Q145 VanDerWaalsContact CG1-CB 3.48Å; V19-L220 HydrophobicContact CG2-CD1 4.17Å | ||
| 20 | A | 85.6 | Confident | 72.4 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 17% | 0.165 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -139 | 166.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q18 D110 A142 | Q18-A20 VanDerWaalsContact CG-O 3.24Å; Q18-A20 WeakPolarHBondContact CG-O 3.45Å; Q18-A20 PolarHBondContact NE2-O 3.18Å; A20-D110 HydrophobicContact CB-CB 3.98Å; A20-D110 WeakPolarHBondContact CB-OD2 3.37Å; A20-A142 HydrophobicContact CB-CB 3.94Å |
| 21 | G | 76.1 | Confident | 72 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 55% | 0.546 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 106.1 | -165.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S23 | G21-S23 PolarHBondContact O-N 3.36Š|
| 22 | H | 62.2 | Low | 72.2 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -91.9 | 73.9 | -179.3 | -58.2 | 97.9 | 0 | 0 | 0 | 109.4 | F30 | H22-F30 HydrophobicContact CB-CB 4.18Å; H22-F30 HydrophobicContact CB-CG 4.38Å; H22-F30 WeakPolarHBondContact O-CB 3.35Å |
| 23 | S | 49.6 | Very low | 72.2 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | trans | -93 | 127.6 | 171.4 | 41.4 | 0 | 0 | 0 | 0 | 110.2 | G21 E25 | G21-S23 PolarHBondContact O-N 3.36Å; S23-E25 VanDerWaalsContact C-N 3.28Å; S23-E25 PolarHBondContact O-N 2.73Å | ||
| 24 | R | 47.3 | Very low | 72.3 | Confident | 240 Ų | 240 | 70.7 Ų | 70.7 | 91% | 0.906 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 60.1 | -21.8 | 164.7 | -59.3 | -177.6 | 90.2 | -179.1 | 7.3 | 120.7 | N26 | R24-N26 VanDerWaalsContact C-N 3.27Å; R24-N26 PolarHBondContact O-N 3Å |
| 25 | E | 44.3 | Very low | 72.6 | Confident | 144 Ų | 144 | 67.5 Ų | 67.5 | 67% | 0.673 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -66.4 | -28.7 | -177 | -77.7 | -176.1 | 172.9 | 0 | 0 | 113.4 | S23 | S23-E25 VanDerWaalsContact C-N 3.28Å; S23-E25 PolarHBondContact O-N 2.73Å |
| 26 | N | 39.2 | Very low | 72.7 | Confident | 131 Ų | 131 | 72.1 Ų | 72.1 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -149 | 113.1 | 175.3 | -76.3 | -53.8 | 0 | 0 | 0 | 110.4 | R24 F30 | R24-N26 VanDerWaalsContact C-N 3.27Å; R24-N26 PolarHBondContact O-N 3Å; N26-F30 WeakPolarHBondContact O-CD2 3.21Å; N26-F30 WeakPolarHBondContact O-CE2 3.43Å |
| 27 | A | 46.7 | Very low | 73 | Confident | 67 Ų | 67 | 73 Ų | 73 | 55% | 0.554 | 39% | 0.394 | S | S | * | . | trans | 67.1 | 134.9 | 170 | 0 | 0 | 0 | 0 | 0 | 118.3 | S29 F30 | A27-S29 WeakPolarHBondContact CB-OG 3.45Å; A27-S29 PolarHBondContact O-N 3.16Å; A27-F30 HydrophobicContact CB-CE2 4.21Å | ||
| 28 | S | 49.9 | Very low | 73.2 | Confident | 108 Ų | 108 | 76.5 Ų | 76.5 | 76% | 0.755 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -55.6 | -3.5 | 169.5 | 50.2 | 0 | 0 | 0 | 0 | 115 | F30 | S28-F30 VanDerWaalsContact C-N 3.28Å; S28-F30 PolarHBondContact O-N 3.23Å |
| 29 | S | 55.4 | Low | 73.6 | Confident | 55 Ų | 55 | 78.4 Ų | 78.4 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -74 | -9.9 | -175.9 | 46.2 | 0 | 0 | 0 | 0 | 115.2 | A27 S44 | A27-S29 WeakPolarHBondContact CB-OG 3.45Å; A27-S29 PolarHBondContact O-N 3.16Å; S29-S44 PolarHBondContact O-OG 2.72Å |
| 30 | F | 63.7 | Low | 74 | Confident | 68 Ų | 68 | 78.6 Ų | 78.6 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -118.7 | 9.4 | -167.8 | -52.6 | -62.5 | 0 | 0 | 0 | 114.9 | H22 N26 A27 S28 Q46 | H22-F30 HydrophobicContact CB-CB 4.18Å; H22-F30 HydrophobicContact CB-CG 4.38Å; H22-F30 WeakPolarHBondContact O-CB 3.35Å; N26-F30 WeakPolarHBondContact O-CD2 3.21Å; N26-F30 WeakPolarHBondContact O-CE2 3.43Å; A27-F30 HydrophobicContact CB-CE2 4.21Å; S28-F30 VanDerWaalsContact C-N 3.28Å; S28-F30 PolarHBondContact O-N 3.23Å; F30-Q46 HydrophobicContact CD1-CG 4.12Å |
| 31 | E | 80.3 | Confident | 74.5 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 140.6 | -175.1 | -173.6 | 164.3 | -143.3 | 0 | 0 | 112.6 | S14 L33 | S14-E31 WeakPolarHBondContact CA-OE1 3.45Å; S14-E31 WeakPolarHBondContact CB-OE1 3.25Å; S14-E31 PolarHBondContact OG-OE1 2.9Å; E31-L33 HydrophobicContact CG-CD2 3.98Å |
| 32 | I | 91.8 | Very high | 75.4 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.7 | 162.6 | -60.1 | 177.3 | 0 | 0 | 0 | 107 | Y15 Q18 I41 Y42 K43 | Y15-I32 WeakPolarHBondContact CB-O 3.38Å; Y15-I32 HydrophobicContact CD1-CB 4.29Å; Y15-I32 HydrophobicContact CD1-CG2 3.92Å; Y15-I32 HydrophobicContact CG-CB 4.44Å; Y15-I32 HydrophobicContact CG-CG2 3.92Å; Y15-I32 PolarHBondContact N-O 3.49Å; Q18-I32 HydrophobicContact CG-CD1 4.2Å; I32-I41 HydrophobicContact CG2-CB 3.89Å; I32-I41 HydrophobicContact CG2-CD1 3.97Å; I32-I41 HydrophobicContact CG2-CG1 4.42Å; I32-I41 HydrophobicContact CG2-CG2 4.37Å; I32-Y42 WeakPolarHBondContact CA-O 3.49Å; I32-K43 HydrophobicContact CG1-CG 4.43Å |
| 33 | L | 93.5 | Very high | 76.9 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 150.7 | 174.9 | -53.5 | 170.9 | 0 | 0 | 0 | 110 | L8 T12 E13 E31 I41 Y42 Y93 | L8-L33 HydrophobicContact CD2-CD1 3.87Å; T12-L33 HydrophobicContact CG2-CB 4.46Å; E13-L33 CarbonylContact O-C 3.56Å; E13-L33 VanDerWaalsContact O-CA 3.22Å; E13-L33 WeakPolarHBondContact O-CA 3.4Å; E31-L33 HydrophobicContact CG-CD2 3.98Å; L33-I41 CarbonylContact O-C 3.57Å; L33-I41 WeakPolarHBondContact O-CA 3.3Å; L33-I41 WeakPolarHBondContact O-CB 3.42Å; L33-Y42 PolarHBondContact N-O 3.42Å; L33-Y42 PolarHBondContact O-N 2.85Å; L33-Y93 HydrophobicContact CD1-CE1 3.84Å; L33-Y93 HydrophobicContact CG-CE1 4.22Å |
| 34 | R | 94.8 | Very high | 78.9 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.4 | 173.6 | -165.7 | -171.7 | -177.2 | -154.5 | -1.7 | 109.8 | T12 E13 Y15 I41 D98 | T12-R34 CarbonylContact C-O 3.58Å; T12-R34 WeakPolarHBondContact CA-O 3.27Å; E13-R34 HydrophobicContact CG-CB 4.37Å; E13-R34 PolarHBondContact N-O 2.99Å; E13-R34 PolarHBondContact O-N 2.86Å; Y15-R34 HydrophobicContact CD2-CB 4.07Å; Y15-R34 HydrophobicContact CD2-CG 4.25Å; R34-I41 HydrophobicContact CG-CG2 4.48Å; R34-D98 IonicContact CZ-OD2 3.26Å; R34-D98 IonicContact NE-OD2 3.01Å; R34-D98 PolarHBondContact NE-OD2 3.36Å; R34-D98 IonicContact NH2-OD2 3.38Å |
| 35 | D | 95.9 | Very high | 80.9 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128 | 165.1 | -165.4 | -53.3 | 0 | 0 | 0 | 109.5 | S37 K38 I40 Y42 | D35-S37 PolarHBondContact O-N 3.16Å; D35-S37 WeakPolarHBondContact OD1-CA 3.29Å; D35-S37 WeakPolarHBondContact OD1-CB 3.21Å; D35-S37 PolarHBondContact OD1-N 3.17Å; D35-S37 PolarHBondContact OD1-OG 3.24Å; D35-K38 HydrophobicContact CB-CB 4.21Å; D35-K38 VanDerWaalsContact O-O 3.07Å; D35-K38 PolarHBondContact OD1-N 3.33Å; D35-I40 HydrophobicContact CB-CB 4.27Å; D35-I40 PolarHBondContact N-O 2.81Å; D35-Y42 HydrophobicContact CB-CE2 3.95Å; D35-Y42 PolarHBondContact OD2-OH 3.31Å |
| 36 | K | 93.7 | Very high | 82.2 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -71 | -17.6 | -179.7 | -63.7 | -175.1 | -171.8 | -125.4 | 0 | 113.8 | C11 T12 E13 | C11-K36 WeakPolarHBondContact O-CG 3.28Å; C11-K36 PolarHBondContact O-N 2.79Å; T12-K36 WeakPolarHBondContact O-CE 3.3Å; E13-K36 HydrophobicContact CG-CG 4Å; E13-K36 WeakPolarHBondContact OE2-CE 3.34Å; E13-K36 IonicContact OE2-NZ 3.73Å; E13-K36 PolarHBondContact OE2-NZ 2.74Å |
| 37 | S | 94.1 | Very high | 83.8 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 60% | 0.601 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -112.3 | -13.7 | -171 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | D35 | D35-S37 PolarHBondContact O-N 3.16Å; D35-S37 WeakPolarHBondContact OD1-CA 3.29Å; D35-S37 WeakPolarHBondContact OD1-CB 3.21Å; D35-S37 PolarHBondContact OD1-N 3.17Å; D35-S37 PolarHBondContact OD1-OG 3.24Å |
| 38 | K | 95.5 | Very high | 84.9 | Confident | 117 Ų | 117 | 59 Ų | 59 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -138.7 | 151.9 | -172.6 | -65.7 | 171.8 | -172.2 | 172.3 | 0 | 110.2 | D35 I40 | D35-K38 HydrophobicContact CB-CB 4.21Å; D35-K38 VanDerWaalsContact O-O 3.07Å; D35-K38 PolarHBondContact OD1-N 3.33Å; K38-I40 HydrophobicContact CB-CB 4.43Å; K38-I40 HydrophobicContact CB-CD1 4.18Å; K38-I40 HydrophobicContact CB-CG1 4.13Å; K38-I40 HydrophobicContact CD-CD1 4.2Å; K38-I40 PolarHBondContact O-N 2.86Å |
| 39 | P | 96.6 | Very high | 86.5 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -75.7 | 60.7 | 173.4 | 34.1 | -36.9 | 0 | 0 | 0 | 110.8 | D98 A101 | P39-D98 VanDerWaalsContact C-CB 3.42Å; P39-D98 HydrophobicContact CB-CB 4.39Å; P39-D98 PolarHBondContact O-N 3.45Å; P39-A101 HydrophobicContact CB-CB 3.54Å |
| 40 | I | 97.9 | Very high | 87.9 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.8 | -177.7 | -63.5 | 178.7 | 0 | 0 | 0 | 109 | D35 K38 Y42 Y81 A95 L96 | D35-I40 HydrophobicContact CB-CB 4.27Å; D35-I40 PolarHBondContact N-O 2.81Å; K38-I40 HydrophobicContact CB-CB 4.43Å; K38-I40 HydrophobicContact CB-CD1 4.18Å; K38-I40 HydrophobicContact CB-CG1 4.13Å; K38-I40 HydrophobicContact CD-CD1 4.2Å; K38-I40 PolarHBondContact O-N 2.86Å; I40-Y42 HydrophobicContact CG2-CE1 4.23Å; I40-Y42 HydrophobicContact CG2-CE2 4.23Å; I40-Y81 HydrophobicContact CD1-CD2 4.05Å; I40-Y81 HydrophobicContact CD1-CE2 4.15Å; I40-Y81 HydrophobicContact CD1-CG 4.29Å; I40-Y81 HydrophobicContact CG1-CD2 4.02Å; I40-Y81 HydrophobicContact CG1-CE2 3.84Å; I40-Y81 HydrophobicContact CG2-CD2 4.35Å; I40-A95 HydrophobicContact CG2-CB 4.12Å; I40-L96 CarbonylContact C-O 3.57Å; I40-L96 WeakPolarHBondContact CA-O 3.31Å; I40-L96 WeakPolarHBondContact CG2-O 3.31Å |
| 41 | I | 96.8 | Very high | 89.1 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 152.7 | 167.4 | 62.8 | 168 | 0 | 0 | 0 | 111 | Y15 I32 L33 R34 A95 L96 D98 | Y15-I41 HydrophobicContact CD2-CG2 3.7Å; Y15-I41 HydrophobicContact CE2-CG2 3.58Å; Y15-I41 HydrophobicContact CG-CG2 4.34Å; I32-I41 HydrophobicContact CG2-CB 3.89Å; I32-I41 HydrophobicContact CG2-CD1 3.97Å; I32-I41 HydrophobicContact CG2-CG1 4.42Å; I32-I41 HydrophobicContact CG2-CG2 4.37Å; L33-I41 CarbonylContact O-C 3.57Å; L33-I41 WeakPolarHBondContact O-CA 3.3Å; L33-I41 WeakPolarHBondContact O-CB 3.42Å; R34-I41 HydrophobicContact CG-CG2 4.48Å; I41-A95 CarbonylContact O-C 3.55Å; I41-A95 VanDerWaalsContact O-CA 3.31Å; I41-A95 WeakPolarHBondContact O-CA 3.33Å; I41-L96 HydrophobicContact CD1-CB 4.49Å; I41-L96 HydrophobicContact CG1-CB 4.02Å; I41-L96 PolarHBondContact N-O 3.12Å; I41-L96 PolarHBondContact O-N 3.46Å; I41-D98 HydrophobicContact CG2-CB 3.87Å |
| 42 | Y | 95.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 104.9 | 174.6 | -60.2 | -79.2 | 0 | 0 | 0 | 108.7 | L8 P9 T12 I32 L33 D35 I40 F84 M94 A95 | L8-Y42 HydrophobicContact CD1-CD1 3.54Å; L8-Y42 HydrophobicContact CD1-CD2 3.97Å; L8-Y42 HydrophobicContact CD1-CE1 4.1Å; L8-Y42 HydrophobicContact CD1-CE2 4.46Å; L8-Y42 HydrophobicContact CD1-CG 3.48Å; L8-Y42 VanDerWaalsContact CD1-CG 3.48Å; P9-Y42 HydrophobicContact CG-CE2 4.28Å; P9-Y42 VanDerWaalsContact CG-OH 3.31Å; P9-Y42 WeakPolarHBondContact CG-OH 3.48Å; T12-Y42 HydrophobicContact CG2-CD2 3.68Å; T12-Y42 HydrophobicContact CG2-CE2 3.72Å; I32-Y42 WeakPolarHBondContact CA-O 3.49Å; L33-Y42 PolarHBondContact N-O 3.42Å; L33-Y42 PolarHBondContact O-N 2.85Å; D35-Y42 HydrophobicContact CB-CE2 3.95Å; D35-Y42 PolarHBondContact OD2-OH 3.31Å; I40-Y42 HydrophobicContact CG2-CE1 4.23Å; I40-Y42 HydrophobicContact CG2-CE2 4.23Å; Y42-F84 HydrophobicContact CD1-CD2 4.39Å; Y42-F84 HydrophobicContact CD1-CG 4.42Å; Y42-F84 HydrophobicContact CE1-CD1 4.27Å; Y42-F84 HydrophobicContact CE1-CD2 4.04Å; Y42-F84 HydrophobicContact CE1-CE2 4.32Å; Y42-F84 HydrophobicContact CE1-CG 4.04Å; Y42-M94 WeakPolarHBondContact CA-O 3.49Å; Y42-A95 HydrophobicContact CD1-CB 3.84Å; Y42-A95 HydrophobicContact CE1-CB 3.66Å |
| 43 | K | 93.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 59 Ų | 59 | 17% | 0.17 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.3 | 176.2 | -173.9 | -177.8 | -175.9 | -173.5 | 0 | 109.5 | I32 L45 E54 Y93 M94 | I32-K43 HydrophobicContact CG1-CG 4.43Å; K43-L45 PolarHBondContact O-N 3.45Å; K43-E54 IonicContact NZ-OE1 3.43Å; K43-E54 PolarHBondContact NZ-OE1 2.84Å; K43-E54 IonicContact NZ-OE2 2.53Å; K43-E54 PolarHBondContact NZ-OE2 2.68Å; K43-Y93 CarbonylContact O-C 3.45Å; K43-Y93 WeakPolarHBondContact O-CA 3.35Å; K43-M94 HydrophobicContact CD-CE 4.12Å; K43-M94 PolarHBondContact N-O 3.29Å; K43-M94 PolarHBondContact O-N 2.75Å |
| 44 | S | 90.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 131.2 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | S29 Q46 | S29-S44 PolarHBondContact O-OG 2.72Å; S44-Q46 VanDerWaalsContact C-N 3.3Å; S44-Q46 PolarHBondContact O-N 3.14Å |
| 45 | L | 88.9 | Confident | 89.7 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | trans | -77.7 | 84.5 | 173 | -63.3 | -172.6 | 0 | 0 | 0 | 109.1 | F2 K43 M52 V55 V83 Y92 M94 | F2-L45 HydrophobicContact CE2-CD1 4.39Å; K43-L45 PolarHBondContact O-N 3.45Å; L45-M52 HydrophobicContact CB-CE 4.26Å; L45-M52 HydrophobicContact CD1-CE 3.49Å; L45-M52 VanDerWaalsContact CD1-CE 3.49Å; L45-M52 HydrophobicContact CG-CE 4.43Å; L45-V55 HydrophobicContact CD1-CG2 3.79Å; L45-V55 HydrophobicContact CD2-CG2 3.71Å; L45-V55 HydrophobicContact CG-CG2 4.45Å; L45-V83 HydrophobicContact CD1-CG1 4.13Å; L45-V83 HydrophobicContact CD1-CG2 4.4Å; L45-Y92 WeakPolarHBondContact CB-O 3.28Å; L45-Y92 PolarHBondContact N-O 3.33Å; L45-M94 HydrophobicContact CD2-CB 3.7Å; L45-M94 HydrophobicContact CG-CB 4.46Å | ||
| 46 | Q | 71.5 | Confident | 89.7 | Confident | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | trans | -50.4 | 142.7 | 173.5 | -57.1 | 179.2 | 8.9 | 0 | 0 | 110.4 | F30 S44 G51 | F30-Q46 HydrophobicContact CD1-CG 4.12Å; S44-Q46 VanDerWaalsContact C-N 3.3Å; S44-Q46 PolarHBondContact O-N 3.14Å; Q46-G51 PolarHBondContact O-N 3.49Å | ||
| 47 | D | 73.1 | Confident | 89.9 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 57% | 0.572 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 28.6 | 92.8 | 171.7 | 173.2 | 23.6 | 0 | 0 | 0 | 112.3 | E49 R50 | D47-E49 CarbonylContact O-C 3.58Å; D47-E49 PolarHBondContact O-N 3.36Å; D47-R50 HydrophobicContact CB-CG 4.5Å; D47-R50 PolarHBondContact O-N 2.98Å |
| 48 | R | 70.1 | Confident | 90 | Very high | 160 Ų | 160 | 50.1 Ų | 50.1 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -24.8 | -51.5 | -161.4 | -166.2 | 172.4 | 174 | -172.6 | -4.2 | 114.6 | M52 | R48-M52 HydrophobicContact CG-CE 4.36Å; R48-M52 HydrophobicContact CG-CG 4.43Å; R48-M52 WeakPolarHBondContact O-CB 3.29Å; R48-M52 WeakPolarHBondContact O-CE 3.45Å; R48-M52 WeakPolarHBondContact O-CG 3.47Å; R48-M52 PolarHBondContact O-N 3.38Å |
| 49 | E | 84.1 | Confident | 90.1 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -58.7 | -45.4 | 177.6 | -60.5 | -171.3 | 174.2 | 0 | 0 | 115.8 | D47 M52 R53 | D47-E49 CarbonylContact O-C 3.58Å; D47-E49 PolarHBondContact O-N 3.36Å; E49-M52 PolarHBondContact O-N 3.48Å; E49-R53 PolarHBondContact O-N 3.34Å; E49-R53 VanDerWaalsContact O-N 3.09Å |
| 50 | R | 84.6 | Confident | 90.1 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -50.8 | 178.8 | -69.9 | -179.2 | 62.6 | -171.7 | -6.8 | 111 | D47 M52 R53 E54 V293 | D47-R50 HydrophobicContact CB-CG 4.5Å; D47-R50 PolarHBondContact O-N 2.98Å; R50-M52 VanDerWaalsContact C-N 3.28Å; R50-M52 PolarHBondContact O-N 2.93Å; R50-R53 PolarHBondContact O-N 3.45Å; R50-E54 PolarHBondContact O-N 3.39Å; R50-V293 HydrophobicContact CB-CG1 3.91Å; R50-V293 HydrophobicContact CG-CG1 4.21Å |
| 51 | G | 88.5 | Confident | 90.1 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q46 R53 E54 V55 | Q46-G51 PolarHBondContact O-N 3.49Å; G51-R53 PolarHBondContact O-N 2.99Å; G51-E54 PolarHBondContact O-N 2.72Å; G51-V55 WeakPolarHBondContact O-CG2 3.39Å; G51-V55 PolarHBondContact O-N 3.47Å |
| 52 | M | 90.4 | Very high | 90.2 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.1 | -73.3 | -33.2 | 81 | 0 | 0 | 111.9 | F2 L45 R48 E49 R50 E54 V55 M56 | F2-M52 HydrophobicContact CD2-SD 4.41Å; F2-M52 HydrophobicContact CE1-SD 4.23Å; F2-M52 HydrophobicContact CE2-CE 3.66Å; F2-M52 HydrophobicContact CE2-SD 3.23Å; F2-M52 WeakPolarHBondContact CE2-SD 3.27Å; F2-M52 HydrophobicContact CZ-CE 3.78Å; F2-M52 HydrophobicContact CZ-SD 3.12Å; F2-M52 WeakPolarHBondContact CZ-SD 3.08Å; L45-M52 HydrophobicContact CB-CE 4.26Å; L45-M52 HydrophobicContact CD1-CE 3.49Å; L45-M52 VanDerWaalsContact CD1-CE 3.49Å; L45-M52 HydrophobicContact CG-CE 4.43Å; R48-M52 HydrophobicContact CG-CE 4.36Å; R48-M52 HydrophobicContact CG-CG 4.43Å; R48-M52 WeakPolarHBondContact O-CB 3.29Å; R48-M52 WeakPolarHBondContact O-CE 3.45Å; R48-M52 WeakPolarHBondContact O-CG 3.47Å; R48-M52 PolarHBondContact O-N 3.38Å; E49-M52 PolarHBondContact O-N 3.48Å; R50-M52 VanDerWaalsContact C-N 3.28Å; R50-M52 PolarHBondContact O-N 2.93Å; M52-E54 VanDerWaalsContact C-N 3.3Å; M52-E54 PolarHBondContact O-N 3.38Å; M52-V55 PolarHBondContact O-N 2.79Å; M52-M56 WeakPolarHBondContact O-CG 3.19Å; M52-M56 PolarHBondContact O-N 3.21Å |
| 53 | R | 92.8 | Very high | 90.3 | Very high | 78 Ų | 78 | 49 Ų | 49 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 178.8 | -76 | -170 | -64.8 | -89.5 | 4.1 | 112.3 | E49 R50 G51 M56 F57 V293 W295 | E49-R53 PolarHBondContact O-N 3.34Å; E49-R53 VanDerWaalsContact O-N 3.09Å; R50-R53 PolarHBondContact O-N 3.45Å; G51-R53 PolarHBondContact O-N 2.99Å; R53-M56 PolarHBondContact O-N 3Å; R53-F57 PolarHBondContact O-N 2.87Å; R53-V293 PolarHBondContact NE-O 2.53Å; R53-W295 PolarHBondContact O-NE1 2.97Å |
| 54 | E | 94.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 176.8 | -167 | 172.7 | -163.3 | 0 | 0 | 111.4 | K43 R50 G51 M52 M56 F57 Y58 M94 F292 V293 | K43-E54 IonicContact NZ-OE1 3.43Å; K43-E54 PolarHBondContact NZ-OE1 2.84Å; K43-E54 IonicContact NZ-OE2 2.53Å; K43-E54 PolarHBondContact NZ-OE2 2.68Å; R50-E54 PolarHBondContact O-N 3.39Å; G51-E54 PolarHBondContact O-N 2.72Å; M52-E54 VanDerWaalsContact C-N 3.3Å; M52-E54 PolarHBondContact O-N 3.38Å; E54-M56 VanDerWaalsContact C-N 3.34Å; E54-M56 PolarHBondContact O-N 3.08Å; E54-F57 VanDerWaalsContact O-CB 3.32Å; E54-F57 WeakPolarHBondContact O-CB 3.27Å; E54-F57 PolarHBondContact O-N 3.28Å; E54-Y58 HydrophobicContact CG-CD2 4.16Å; E54-Y58 HydrophobicContact CG-CE2 4.01Å; E54-Y58 WeakPolarHBondContact O-CD2 3.46Å; E54-Y58 PolarHBondContact O-N 3.22Å; E54-Y58 VanDerWaalsContact O-N 3.12Å; E54-M94 HydrophobicContact CG-CE 3.81Å; E54-F292 HydrophobicContact CG-CB 4.24Å; E54-F292 PolarHBondContact OE1-N 2.72Å; E54-V293 HydrophobicContact CB-CG2 4.18Å |
| 55 | V | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 173 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | F2 L45 G51 M52 F57 Y58 Q59 V83 M94 | F2-V55 HydrophobicContact CE1-CG1 3.71Å; F2-V55 HydrophobicContact CZ-CB 4.38Å; F2-V55 HydrophobicContact CZ-CG1 3.98Å; F2-V55 HydrophobicContact CZ-CG2 4.4Å; L45-V55 HydrophobicContact CD1-CG2 3.79Å; L45-V55 HydrophobicContact CD2-CG2 3.71Å; L45-V55 HydrophobicContact CG-CG2 4.45Å; G51-V55 WeakPolarHBondContact O-CG2 3.39Å; G51-V55 PolarHBondContact O-N 3.47Å; M52-V55 PolarHBondContact O-N 2.79Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 PolarHBondContact O-N 3.18Å; V55-Y58 PolarHBondContact O-N 3.2Å; V55-Q59 HydrophobicContact CG1-CG 4.16Å; V55-Q59 WeakPolarHBondContact O-CB 3.5Å; V55-Q59 WeakPolarHBondContact O-CG 3.17Å; V55-Q59 PolarHBondContact O-N 3.43Å; V55-V83 HydrophobicContact CB-CG2 4.46Å; V55-V83 HydrophobicContact CG1-CG2 3.74Å; V55-V83 HydrophobicContact CG2-CG2 3.8Å; V55-M94 HydrophobicContact CG2-CB 4.36Å; V55-M94 HydrophobicContact CG2-SD 3.98Å |
| 56 | M | 95.7 | Very high | 91.1 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.1 | -36.5 | 177.5 | -72.6 | 178.8 | 67.9 | 0 | 0 | 112.2 | M52 R53 E54 S60 W295 | M52-M56 WeakPolarHBondContact O-CG 3.19Å; M52-M56 PolarHBondContact O-N 3.21Å; R53-M56 PolarHBondContact O-N 3Å; E54-M56 VanDerWaalsContact C-N 3.34Å; E54-M56 PolarHBondContact O-N 3.08Å; M56-S60 WeakPolarHBondContact O-CB 3.5Å; M56-S60 PolarHBondContact O-N 2.92Å; M56-W295 HydrophobicContact CB-CZ2 4.27Å |
| 57 | F | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -56.4 | 172.6 | 175.9 | -98.4 | 0 | 0 | 0 | 110.7 | R53 E54 V55 Q59 S60 V61 L73 I77 L212 F292 W295 | R53-F57 PolarHBondContact O-N 2.87Å; E54-F57 VanDerWaalsContact O-CB 3.32Å; E54-F57 WeakPolarHBondContact O-CB 3.27Å; E54-F57 PolarHBondContact O-N 3.28Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 PolarHBondContact O-N 3.18Å; F57-Q59 VanDerWaalsContact C-N 3.31Å; F57-Q59 PolarHBondContact O-N 3.14Å; F57-S60 WeakPolarHBondContact O-CB 3.37Å; F57-S60 PolarHBondContact O-N 2.97Å; F57-S60 PolarHBondContact O-OG 3.17Å; F57-V61 HydrophobicContact CD1-CG2 4.23Å; F57-V61 HydrophobicContact CD2-CG2 4.43Å; F57-V61 HydrophobicContact CE1-CG2 3.81Å; F57-V61 HydrophobicContact CE2-CG2 4.05Å; F57-V61 HydrophobicContact CZ-CG2 3.74Å; F57-V61 WeakPolarHBondContact O-CG2 3.35Å; F57-V61 PolarHBondContact O-N 2.88Å; F57-L73 HydrophobicContact CE2-CD2 4.41Å; F57-L73 HydrophobicContact CZ-CD2 3.75Å; F57-I77 HydrophobicContact CE1-CD1 4.16Å; F57-L212 HydrophobicContact CE2-CD1 4.48Å; F57-F292 HydrophobicContact CB-CB 3.95Å; F57-F292 HydrophobicContact CD1-CB 3.4Å; F57-F292 AromaticContact CD1-CD1 3.98Å; F57-F292 HydrophobicContact CD1-CD1 3.98Å; F57-F292 AromaticContact CD1-CD2 3.48Å; F57-F292 HydrophobicContact CD1-CD2 3.48Å; F57-F292 VanDerWaalsContact CD1-CD2 3.48Å; F57-F292 HydrophobicContact CD1-CE2 4.19Å; F57-F292 AromaticContact CD1-CG 3.33Å; F57-F292 HydrophobicContact CD1-CG 3.33Å; F57-F292 HydrophobicContact CD2-CB 4.07Å; F57-F292 HydrophobicContact CD2-CD1 4.34Å; F57-F292 HydrophobicContact CD2-CG 4.3Å; F57-F292 HydrophobicContact CE1-CB 3.82Å; F57-F292 AromaticContact CE1-CD1 3.45Å; F57-F292 HydrophobicContact CE1-CD1 3.45Å; F57-F292 VanDerWaalsContact CE1-CD1 3.45Å; F57-F292 AromaticContact CE1-CD2 3.24Å; F57-F292 HydrophobicContact CE1-CD2 3.24Å; F57-F292 AromaticContact CE1-CE1 3.7Å; F57-F292 HydrophobicContact CE1-CE1 3.7Å; F57-F292 AromaticContact CE1-CE2 3.5Å; F57-F292 HydrophobicContact CE1-CE2 3.5Å; F57-F292 VanDerWaalsContact CE1-CE2 3.5Å; F57-F292 AromaticContact CE1-CG 3.19Å; F57-F292 HydrophobicContact CE1-CG 3.19Å; F57-F292 AromaticContact CE1-CZ 3.71Å; F57-F292 HydrophobicContact CE1-CZ 3.71Å; F57-F292 HydrophobicContact CE2-CB 4.42Å; F57-F292 AromaticContact CE2-CD1 3.84Å; F57-F292 HydrophobicContact CE2-CD1 3.84Å; F57-F292 HydrophobicContact CE2-CE1 4.32Å; F57-F292 HydrophobicContact CE2-CG 4.17Å; F57-F292 HydrophobicContact CG-CB 3.52Å; F57-F292 HydrophobicContact CG-CD1 4.38Å; F57-F292 HydrophobicContact CG-CD2 4.44Å; F57-F292 AromaticContact CG-CG 3.89Å; F57-F292 HydrophobicContact CG-CG 3.89Å; F57-F292 HydrophobicContact CZ-CB 4.28Å; F57-F292 AromaticContact CZ-CD1 3.34Å; F57-F292 HydrophobicContact CZ-CD1 3.34Å; F57-F292 HydrophobicContact CZ-CD2 4.04Å; F57-F292 AromaticContact CZ-CE1 3.49Å; F57-F292 HydrophobicContact CZ-CE1 3.49Å; F57-F292 VanDerWaalsContact CZ-CE1 3.49Å; F57-F292 HydrophobicContact CZ-CE2 4.17Å; F57-F292 AromaticContact CZ-CG 3.62Å; F57-F292 HydrophobicContact CZ-CG 3.62Å; F57-F292 AromaticContact CZ-CZ 3.9Å; F57-F292 HydrophobicContact CZ-CZ 3.9Å; F57-W295 HydrophobicContact CB-CD2 4.1Å; F57-W295 HydrophobicContact CB-CG 4.13Å; F57-W295 HydrophobicContact CB-CZ2 4.17Å; F57-W295 HydrophobicContact CD2-CB 4.16Å; F57-W295 AromaticContact CD2-CD2 3.65Å; F57-W295 HydrophobicContact CD2-CD2 3.65Å; F57-W295 AromaticContact CD2-CE3 3.92Å; F57-W295 HydrophobicContact CD2-CE3 3.92Å; F57-W295 AromaticContact CD2-CG 3.75Å; F57-W295 HydrophobicContact CD2-CG 3.75Å; F57-W295 HydrophobicContact CG-CD2 4.36Å; F57-W295 HydrophobicContact CG-CG 4.33Å |
| 58 | Y | 97.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | -179.2 | -82.8 | -76.4 | 0 | 0 | 0 | 112.1 | E54 V55 S60 V61 F62 I77 P78 Y80 M94 L96 F292 | E54-Y58 HydrophobicContact CG-CD2 4.16Å; E54-Y58 HydrophobicContact CG-CE2 4.01Å; E54-Y58 WeakPolarHBondContact O-CD2 3.46Å; E54-Y58 PolarHBondContact O-N 3.22Å; E54-Y58 VanDerWaalsContact O-N 3.12Å; V55-Y58 PolarHBondContact O-N 3.2Å; Y58-S60 VanDerWaalsContact C-N 3.32Å; Y58-S60 PolarHBondContact O-N 3.17Å; Y58-V61 PolarHBondContact O-N 3.18Å; Y58-F62 HydrophobicContact CD1-CD2 4.16Å; Y58-F62 AromaticContact CD1-CE2 3.88Å; Y58-F62 HydrophobicContact CD1-CE2 3.88Å; Y58-F62 HydrophobicContact CE1-CE2 4.41Å; Y58-F62 WeakPolarHBondContact O-CB 3.4Å; Y58-F62 WeakPolarHBondContact O-CD2 3.49Å; Y58-F62 PolarHBondContact O-N 2.95Å; Y58-I77 HydrophobicContact CD1-CD1 4.06Å; Y58-I77 HydrophobicContact CE1-CB 4.47Å; Y58-I77 HydrophobicContact CE1-CD1 3.81Å; Y58-I77 HydrophobicContact CE1-CG1 4.32Å; Y58-P78 VanDerWaalsContact CE1-O 3.32Å; Y58-P78 WeakPolarHBondContact CE1-O 3.11Å; Y58-P78 WeakPolarHBondContact OH-CD 3.31Å; Y58-Y80 HydrophobicContact CD1-CD2 4.48Å; Y58-Y80 HydrophobicContact CD1-CG 4.38Å; Y58-Y80 HydrophobicContact CG-CD2 4.08Å; Y58-Y80 HydrophobicContact CG-CG 4.28Å; Y58-M94 HydrophobicContact CD2-CE 3.96Å; Y58-M94 HydrophobicContact CD2-SD 3.53Å; Y58-M94 VanDerWaalsContact CD2-SD 3.53Å; Y58-M94 HydrophobicContact CE2-CE 3.83Å; Y58-M94 HydrophobicContact CE2-SD 4Å; Y58-M94 HydrophobicContact CG-SD 4.25Å; Y58-L96 HydrophobicContact CD1-CD2 4.16Å; Y58-L96 HydrophobicContact CD2-CD2 4.35Å; Y58-L96 HydrophobicContact CE1-CD2 3.83Å; Y58-L96 HydrophobicContact CE2-CD1 4.35Å; Y58-L96 HydrophobicContact CE2-CD2 4.05Å; Y58-L96 HydrophobicContact CG-CD2 4.4Å; Y58-F292 AromaticContact CE2-CD2 3.99Å; Y58-F292 HydrophobicContact CE2-CD2 3.99Å |
| 59 | Q | 97.1 | Very high | 94.6 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 174.3 | -73.8 | 176.7 | -30.5 | 0 | 0 | 112.2 | V55 F57 S63 Y80 | V55-Q59 HydrophobicContact CG1-CG 4.16Å; V55-Q59 WeakPolarHBondContact O-CB 3.5Å; V55-Q59 WeakPolarHBondContact O-CG 3.17Å; V55-Q59 PolarHBondContact O-N 3.43Å; F57-Q59 VanDerWaalsContact C-N 3.31Å; F57-Q59 PolarHBondContact O-N 3.14Å; Q59-S63 WeakPolarHBondContact O-CB 3.39Å; Q59-S63 PolarHBondContact O-N 3.39Å; Q59-Y80 HydrophobicContact CG-CE1 3.95Å |
| 60 | S | 96.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 176 | 77.3 | 0 | 0 | 0 | 0 | 112 | M56 F57 Y58 S63 | M56-S60 WeakPolarHBondContact O-CB 3.5Å; M56-S60 PolarHBondContact O-N 2.92Å; F57-S60 WeakPolarHBondContact O-CB 3.37Å; F57-S60 PolarHBondContact O-N 2.97Å; F57-S60 PolarHBondContact O-OG 3.17Å; Y58-S60 VanDerWaalsContact C-N 3.32Å; Y58-S60 PolarHBondContact O-N 3.17Å; S60-S63 WeakPolarHBondContact O-CB 3.46Å |
| 61 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -42.6 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | F57 Y58 A66 L70 L73 R74 I77 | F57-V61 HydrophobicContact CD1-CG2 4.23Å; F57-V61 HydrophobicContact CD2-CG2 4.43Å; F57-V61 HydrophobicContact CE1-CG2 3.81Å; F57-V61 HydrophobicContact CE2-CG2 4.05Å; F57-V61 HydrophobicContact CZ-CG2 3.74Å; F57-V61 WeakPolarHBondContact O-CG2 3.35Å; F57-V61 PolarHBondContact O-N 2.88Å; Y58-V61 PolarHBondContact O-N 3.18Å; V61-A66 WeakPolarHBondContact O-CB 3.38Å; V61-L70 HydrophobicContact CG2-CD2 3.94Å; V61-L73 HydrophobicContact CG2-CD2 4.16Å; V61-R74 HydrophobicContact CG1-CG 3.71Å; V61-R74 VanDerWaalsContact O-CZ 3.27Å; V61-R74 PolarHBondContact O-NE 3.34Å; V61-R74 PolarHBondContact O-NH2 2.86Å; V61-I77 HydrophobicContact CB-CD1 4.23Å; V61-I77 HydrophobicContact CG1-CD1 3.64Å; V61-I77 HydrophobicContact CG2-CD1 4.35Å |
| 62 | F | 98.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -91.4 | 5.3 | -178 | -73.3 | -88 | 0 | 0 | 0 | 113.7 | Y58 R74 I77 T79 | Y58-F62 HydrophobicContact CD1-CD2 4.16Å; Y58-F62 AromaticContact CD1-CE2 3.88Å; Y58-F62 HydrophobicContact CD1-CE2 3.88Å; Y58-F62 HydrophobicContact CE1-CE2 4.41Å; Y58-F62 WeakPolarHBondContact O-CB 3.4Å; Y58-F62 WeakPolarHBondContact O-CD2 3.49Å; Y58-F62 PolarHBondContact O-N 2.95Å; F62-R74 HydrophobicContact CD1-CG 4.35Å; F62-R74 HydrophobicContact CE1-CB 4.35Å; F62-R74 HydrophobicContact CE1-CG 4.02Å; F62-R74 HydrophobicContact CZ-CB 4.34Å; F62-R74 HydrophobicContact CZ-CG 4.16Å; F62-I77 HydrophobicContact CE2-CD1 3.74Å; F62-I77 HydrophobicContact CE2-CG1 4.19Å; F62-I77 HydrophobicContact CZ-CD1 4.4Å; F62-I77 HydrophobicContact CZ-CG1 4.41Å; F62-T79 HydrophobicContact CE1-CG2 4.32Å |
| 63 | S | 97.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | trans | -60 | 140.6 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | Q59 S60 D65 A66 R74 | Q59-S63 WeakPolarHBondContact O-CB 3.39Å; Q59-S63 PolarHBondContact O-N 3.39Å; S60-S63 WeakPolarHBondContact O-CB 3.46Å; S63-D65 PolarHBondContact O-N 3.32Å; S63-D65 PolarHBondContact OG-N 2.9Å; S63-A66 VanDerWaalsContact O-CB 3.24Å; S63-A66 WeakPolarHBondContact O-CB 3.43Å; S63-A66 PolarHBondContact O-N 2.75Å; S63-A66 VanDerWaalsContact O-N 3.15Å; S63-R74 PolarHBondContact O-NH2 3.45Å | ||
| 64 | P | 96.6 | Very high | 96.9 | Very high | 114 Ų | 114 | 48.6 Ų | 48.6 | 74% | 0.74 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.1 | 169.4 | -25.7 | 35.4 | 0 | 0 | 0 | 112.9 | A66 | P64-A66 VanDerWaalsContact C-N 3.33Å; P64-A66 PolarHBondContact O-N 3.25Å |
| 65 | D | 96.5 | Very high | 97.1 | Very high | 151 Ų | 151 | 52.9 Ų | 52.9 | 81% | 0.807 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 14.4 | -177.6 | -55.4 | -45.2 | 0 | 0 | 0 | 113.3 | S63 | S63-D65 PolarHBondContact O-N 3.32Å; S63-D65 PolarHBondContact OG-N 2.9Å |
| 66 | A | 97.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | trans | -59 | 146.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V61 S63 P64 L70 K71 | V61-A66 WeakPolarHBondContact O-CB 3.38Å; S63-A66 VanDerWaalsContact O-CB 3.24Å; S63-A66 WeakPolarHBondContact O-CB 3.43Å; S63-A66 PolarHBondContact O-N 2.75Å; S63-A66 VanDerWaalsContact O-N 3.15Å; P64-A66 VanDerWaalsContact C-N 3.33Å; P64-A66 PolarHBondContact O-N 3.25Å; A66-L70 HydrophobicContact CB-CB 3.94Å; A66-L70 HydrophobicContact CB-CD1 4.39Å; A66-K71 HydrophobicContact CB-CG 4.24Å; A66-K71 WeakPolarHBondContact O-CE 3.3Å | ||
| 67 | S | 96.1 | Very high | 97.3 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | trans | -63.4 | 167 | 173.7 | 69 | 0 | 0 | 0 | 0 | 112 | A69 L70 K71 E211 | S67-A69 VanDerWaalsContact C-N 3.27Å; S67-A69 PolarHBondContact O-N 3.15Å; S67-L70 PolarHBondContact O-N 3.44Å; S67-L70 VanDerWaalsContact OG-CG 3.3Å; S67-L70 WeakPolarHBondContact OG-CG 3.23Å; S67-L70 PolarHBondContact OG-N 3.37Å; S67-K71 WeakPolarHBondContact O-CG 3.45Å; S67-K71 PolarHBondContact O-N 3.4Å; S67-E211 WeakPolarHBondContact CB-OE2 3.3Å; S67-E211 PolarHBondContact OG-OE1 3.01Å; S67-E211 PolarHBondContact OG-OE2 2.97Å | ||
| 68 | E | 96 | Very high | 97.4 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.2 | -34.5 | 175 | -68.4 | -55 | 122.2 | 0 | 0 | 112.7 | K71 R72 | E68-K71 WeakPolarHBondContact OE1-CD 3.03Å; E68-K71 IonicContact OE1-NZ 3.22Å; E68-K71 PolarHBondContact OE1-NZ 3.3Å; E68-R72 WeakPolarHBondContact O-CB 3.47Å; E68-R72 VanDerWaalsContact O-CG 3.27Å; E68-R72 WeakPolarHBondContact O-CG 3.34Å; E68-R72 PolarHBondContact O-N 3.34Å |
| 69 | A | 96.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S67 R72 L73 W203 E211 | S67-A69 VanDerWaalsContact C-N 3.27Å; S67-A69 PolarHBondContact O-N 3.15Å; A69-R72 PolarHBondContact O-N 2.93Å; A69-L73 PolarHBondContact O-N 3.04Å; A69-W203 PolarHBondContact O-NE1 2.88Å; A69-E211 HydrophobicContact CB-CB 4.42Å; A69-E211 HydrophobicContact CB-CG 4.16Å; A69-E211 VanDerWaalsContact CB-OE1 3.3Å; A69-E211 WeakPolarHBondContact CB-OE1 3.2Å |
| 70 | L | 97.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.8 | -40.2 | 180 | -65.9 | -179.4 | 0 | 0 | 0 | 112.3 | V61 A66 S67 R72 L73 R74 L212 | V61-L70 HydrophobicContact CG2-CD2 3.94Å; A66-L70 HydrophobicContact CB-CB 3.94Å; A66-L70 HydrophobicContact CB-CD1 4.39Å; S67-L70 PolarHBondContact O-N 3.44Å; S67-L70 VanDerWaalsContact OG-CG 3.3Å; S67-L70 WeakPolarHBondContact OG-CG 3.23Å; S67-L70 PolarHBondContact OG-N 3.37Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 2.97Å; L70-L73 WeakPolarHBondContact O-CB 3.49Å; L70-L73 PolarHBondContact O-N 3.45Å; L70-R74 PolarHBondContact O-N 3.25Å; L70-L212 HydrophobicContact CD2-CD1 3.74Å; L70-L212 HydrophobicContact CD2-CD2 4.08Å; L70-L212 HydrophobicContact CD2-CG 4.18Å |
| 71 | K | 98.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.1 | -73.6 | 172.4 | -174.2 | 161.1 | 0 | 111.6 | A66 S67 E68 L73 R74 | A66-K71 HydrophobicContact CB-CG 4.24Å; A66-K71 WeakPolarHBondContact O-CE 3.3Å; S67-K71 WeakPolarHBondContact O-CG 3.45Å; S67-K71 PolarHBondContact O-N 3.4Å; E68-K71 WeakPolarHBondContact OE1-CD 3.03Å; E68-K71 IonicContact OE1-NZ 3.22Å; E68-K71 PolarHBondContact OE1-NZ 3.3Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.08Å; K71-R74 WeakPolarHBondContact O-CB 3.03Å; K71-R74 WeakPolarHBondContact O-CG 3.33Å; K71-R74 PolarHBondContact O-N 2.86Å |
| 72 | R | 97.6 | Very high | 97.5 | Very high | 109 Ų | 109 | 53.1 Ų | 53.1 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.1 | -31.1 | 177.4 | -71.5 | 171.4 | -179.4 | -92 | -3.6 | 112.9 | E68 A69 L70 R74 Q75 | E68-R72 WeakPolarHBondContact O-CB 3.47Å; E68-R72 VanDerWaalsContact O-CG 3.27Å; E68-R72 WeakPolarHBondContact O-CG 3.34Å; E68-R72 PolarHBondContact O-N 3.34Å; A69-R72 PolarHBondContact O-N 2.93Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 2.97Å; R72-R74 PolarHBondContact O-N 2.94Å; R72-Q75 WeakPolarHBondContact O-CG 3.42Å; R72-Q75 PolarHBondContact O-NE2 3.35Å |
| 73 | L | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -28.8 | 176.4 | -177.7 | 50.2 | 0 | 0 | 0 | 112.9 | F57 V61 A69 L70 K71 Q75 F76 I77 W203 L212 L289 | F57-L73 HydrophobicContact CE2-CD2 4.41Å; F57-L73 HydrophobicContact CZ-CD2 3.75Å; V61-L73 HydrophobicContact CG2-CD2 4.16Å; A69-L73 PolarHBondContact O-N 3.04Å; L70-L73 WeakPolarHBondContact O-CB 3.49Å; L70-L73 PolarHBondContact O-N 3.45Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.08Å; L73-Q75 PolarHBondContact O-N 2.92Å; L73-F76 HydrophobicContact CD1-CB 4.29Å; L73-F76 HydrophobicContact CD1-CD2 4.49Å; L73-F76 PolarHBondContact O-N 3.13Å; L73-I77 HydrophobicContact CD1-CG2 3.77Å; L73-I77 HydrophobicContact CG-CD1 4.47Å; L73-I77 HydrophobicContact CG-CG2 4.01Å; L73-W203 HydrophobicContact CB-CH2 4.31Å; L73-W203 HydrophobicContact CB-CZ2 3.59Å; L73-W203 HydrophobicContact CD1-CD2 4.45Å; L73-W203 HydrophobicContact CD1-CE3 4.28Å; L73-W203 HydrophobicContact CD1-CH2 3.41Å; L73-W203 VanDerWaalsContact CD1-CH2 3.41Å; L73-W203 HydrophobicContact CD1-CZ2 3.58Å; L73-W203 HydrophobicContact CD1-CZ3 3.77Å; L73-W203 HydrophobicContact CD2-CH2 3.83Å; L73-W203 HydrophobicContact CD2-CZ2 3.74Å; L73-W203 HydrophobicContact CG-CH2 4.04Å; L73-W203 HydrophobicContact CG-CZ2 3.82Å; L73-L212 HydrophobicContact CD2-CD1 3.83Å; L73-L289 HydrophobicContact CD1-CD1 3.82Å |
| 74 | R | 98.3 | Very high | 97.3 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -52.2 | -31.6 | -178.1 | -66.7 | 173.4 | -174.6 | 174.5 | 0.1 | 113.9 | V61 F62 S63 L70 K71 R72 F76 | V61-R74 HydrophobicContact CG1-CG 3.71Å; V61-R74 VanDerWaalsContact O-CZ 3.27Å; V61-R74 PolarHBondContact O-NE 3.34Å; V61-R74 PolarHBondContact O-NH2 2.86Å; F62-R74 HydrophobicContact CD1-CG 4.35Å; F62-R74 HydrophobicContact CE1-CB 4.35Å; F62-R74 HydrophobicContact CE1-CG 4.02Å; F62-R74 HydrophobicContact CZ-CB 4.34Å; F62-R74 HydrophobicContact CZ-CG 4.16Å; S63-R74 PolarHBondContact O-NH2 3.45Å; L70-R74 PolarHBondContact O-N 3.25Å; K71-R74 WeakPolarHBondContact O-CB 3.03Å; K71-R74 WeakPolarHBondContact O-CG 3.33Å; K71-R74 PolarHBondContact O-N 2.86Å; R72-R74 PolarHBondContact O-N 2.94Å; R74-F76 VanDerWaalsContact C-N 3.27Å; R74-F76 PolarHBondContact O-N 3Å |
| 75 | Q | 97.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -74.5 | -16.4 | 179.8 | 82.5 | -168.8 | -79.4 | 0 | 0 | 113.6 | R72 L73 | R72-Q75 WeakPolarHBondContact O-CG 3.42Å; R72-Q75 PolarHBondContact O-NE2 3.35Å; L73-Q75 PolarHBondContact O-N 2.92Å |
| 76 | F | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -109 | 7.9 | -176.2 | -52.5 | -59.3 | 0 | 0 | 0 | 112.3 | L73 R74 R199 I200 W203 Y288 L289 | L73-F76 HydrophobicContact CD1-CB 4.29Å; L73-F76 HydrophobicContact CD1-CD2 4.49Å; L73-F76 PolarHBondContact O-N 3.13Å; R74-F76 VanDerWaalsContact C-N 3.27Å; R74-F76 PolarHBondContact O-N 3Å; F76-R199 HydrophobicContact CE1-CB 3.83Å; F76-R199 HydrophobicContact CZ-CB 3.98Å; F76-I200 HydrophobicContact CB-CG1 4.28Å; F76-I200 HydrophobicContact CD1-CD1 4.24Å; F76-I200 HydrophobicContact CD1-CG1 3.51Å; F76-I200 HydrophobicContact CD2-CG1 4.44Å; F76-I200 HydrophobicContact CE1-CG1 3.84Å; F76-I200 HydrophobicContact CG-CG1 3.84Å; F76-I200 HydrophobicContact CZ-CG1 4.44Å; F76-W203 HydrophobicContact CD2-CB 4.37Å; F76-W203 HydrophobicContact CD2-CD2 4.19Å; F76-W203 HydrophobicContact CD2-CE3 4.37Å; F76-W203 HydrophobicContact CD2-CG 4.14Å; F76-W203 HydrophobicContact CE2-CB 3.55Å; F76-W203 HydrophobicContact CE2-CD2 4.21Å; F76-W203 AromaticContact CE2-CG 3.69Å; F76-W203 HydrophobicContact CE2-CG 3.69Å; F76-W203 HydrophobicContact CZ-CB 4.25Å; F76-Y288 CarbonylContact O-C 3.53Å; F76-Y288 WeakPolarHBondContact O-CA 3.34Å; F76-L289 HydrophobicContact CB-CD1 4.47Å; F76-L289 PolarHBondContact O-N 3.37Å |
| 77 | I | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -133.6 | 159.2 | -179.9 | 67.2 | 173.2 | 0 | 0 | 0 | 110.1 | F57 Y58 V61 F62 L73 T79 L289 F292 | F57-I77 HydrophobicContact CE1-CD1 4.16Å; Y58-I77 HydrophobicContact CD1-CD1 4.06Å; Y58-I77 HydrophobicContact CE1-CB 4.47Å; Y58-I77 HydrophobicContact CE1-CD1 3.81Å; Y58-I77 HydrophobicContact CE1-CG1 4.32Å; V61-I77 HydrophobicContact CB-CD1 4.23Å; V61-I77 HydrophobicContact CG1-CD1 3.64Å; V61-I77 HydrophobicContact CG2-CD1 4.35Å; F62-I77 HydrophobicContact CE2-CD1 3.74Å; F62-I77 HydrophobicContact CE2-CG1 4.19Å; F62-I77 HydrophobicContact CZ-CD1 4.4Å; F62-I77 HydrophobicContact CZ-CG1 4.41Å; L73-I77 HydrophobicContact CD1-CG2 3.77Å; L73-I77 HydrophobicContact CG-CD1 4.47Å; L73-I77 HydrophobicContact CG-CG2 4.01Å; I77-T79 PolarHBondContact O-N 2.99Å; I77-L289 HydrophobicContact CG2-CB 3.97Å; I77-F292 HydrophobicContact CB-CE2 4.28Å; I77-F292 HydrophobicContact CB-CZ 4.42Å; I77-F292 HydrophobicContact CG2-CE2 3.82Å; I77-F292 HydrophobicContact CG2-CZ 3.49Å; I77-F292 VanDerWaalsContact CG2-CZ 3.49Å |
| 78 | P | 98.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 140.8 | 170 | -23.3 | 27.9 | 0 | 0 | 0 | 112.7 | Y58 Y80 L96 S97 L99 I290 | Y58-P78 VanDerWaalsContact CE1-O 3.32Å; Y58-P78 WeakPolarHBondContact CE1-O 3.11Å; Y58-P78 WeakPolarHBondContact OH-CD 3.31Å; P78-Y80 PolarHBondContact O-N 3.43Å; P78-L96 HydrophobicContact CB-CB 3.87Å; P78-L96 HydrophobicContact CB-CD1 4.2Å; P78-L96 HydrophobicContact CB-CD2 4.28Å; P78-L96 HydrophobicContact CB-CG 4.34Å; P78-L96 HydrophobicContact CG-CD1 4.38Å; P78-S97 WeakPolarHBondContact CA-OG 3.42Å; P78-L99 HydrophobicContact CB-CD2 4.2Å; P78-L99 HydrophobicContact CG-CD1 3.87Å; P78-L99 HydrophobicContact CG-CD2 4.06Å; P78-L99 HydrophobicContact CG-CG 4.12Å; P78-I290 HydrophobicContact CG-CG2 4.16Å |
| 79 | T | 98.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -66 | 131.9 | 171 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | F62 I77 Y81 L96 S97 | F62-T79 HydrophobicContact CE1-CG2 4.32Å; I77-T79 PolarHBondContact O-N 2.99Å; T79-Y81 HydrophobicContact CG2-CE1 3.91Å; T79-Y81 HydrophobicContact CG2-CE2 4.19Å; T79-L96 CarbonylContact O-C 3.56Å; T79-L96 WeakPolarHBondContact O-CA 3.39Å; T79-S97 PolarHBondContact N-OG 2.94Å; T79-S97 PolarHBondContact O-N 3.49Å |
| 80 | Y | 98.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.9 | 179.5 | 174.5 | -112 | 0 | 0 | 0 | 111.8 | Y58 Q59 P78 G82 M94 L96 | Y58-Y80 HydrophobicContact CD1-CD2 4.48Å; Y58-Y80 HydrophobicContact CD1-CG 4.38Å; Y58-Y80 HydrophobicContact CG-CD2 4.08Å; Y58-Y80 HydrophobicContact CG-CG 4.28Å; Q59-Y80 HydrophobicContact CG-CE1 3.95Å; P78-Y80 PolarHBondContact O-N 3.43Å; Y80-G82 WeakPolarHBondContact OH-CA 3.37Å; Y80-M94 HydrophobicContact CD2-CG 3.95Å; Y80-M94 HydrophobicContact CD2-SD 4.06Å; Y80-M94 HydrophobicContact CE2-CG 3.77Å; Y80-M94 HydrophobicContact CE2-SD 3.95Å; Y80-L96 HydrophobicContact CD2-CD2 4.08Å |
| 81 | Y | 97.6 | Very high | 94.4 | Very high | 109 Ų | 109 | 53 Ų | 53 | 43% | 0.427 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -0.6 | -179.5 | -63.1 | -71.4 | 0 | 0 | 0 | 114.1 | I40 T79 A95 | I40-Y81 HydrophobicContact CD1-CD2 4.05Å; I40-Y81 HydrophobicContact CD1-CE2 4.15Å; I40-Y81 HydrophobicContact CD1-CG 4.29Å; I40-Y81 HydrophobicContact CG1-CD2 4.02Å; I40-Y81 HydrophobicContact CG1-CE2 3.84Å; I40-Y81 HydrophobicContact CG2-CD2 4.35Å; T79-Y81 HydrophobicContact CG2-CE1 3.91Å; T79-Y81 HydrophobicContact CG2-CE2 4.19Å; Y81-A95 PolarHBondContact N-O 3.29Å |
| 82 | G | 96.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.3 | -173.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y80 A95 | Y80-G82 WeakPolarHBondContact OH-CA 3.37Å; G82-A95 PolarHBondContact O-N 2.78Å |
| 83 | V | 95.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.5 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | F2 V5 P6 L45 V55 Y92 Y93 | F2-V83 HydrophobicContact CD1-CG2 4.36Å; F2-V83 HydrophobicContact CD2-CG1 3.99Å; F2-V83 HydrophobicContact CE1-CG2 3.98Å; F2-V83 HydrophobicContact CE2-CG1 3.97Å; F2-V83 HydrophobicContact CE2-CG2 4.35Å; F2-V83 HydrophobicContact CG-CG1 4.41Å; F2-V83 HydrophobicContact CZ-CG1 4.4Å; F2-V83 HydrophobicContact CZ-CG2 3.94Å; V5-V83 HydrophobicContact CG1-CB 4.38Å; V5-V83 HydrophobicContact CG1-CG1 4.31Å; P6-V83 WeakPolarHBondContact CD-O 3.29Å; L45-V83 HydrophobicContact CD1-CG1 4.13Å; L45-V83 HydrophobicContact CD1-CG2 4.4Å; V55-V83 HydrophobicContact CB-CG2 4.46Å; V55-V83 HydrophobicContact CG1-CG2 3.74Å; V55-V83 HydrophobicContact CG2-CG2 3.8Å; V83-Y92 HydrophobicContact CG1-CD1 3.78Å; V83-Y92 HydrophobicContact CG1-CG 4.45Å; V83-Y93 CarbonylContact C-O 3.56Å; V83-Y93 WeakPolarHBondContact CA-O 3.49Å |
| 84 | F | 95.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 48.3 Ų | 48.3 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.3 | -179.2 | -68.8 | -104.6 | 0 | 0 | 0 | 109.3 | P6 L8 Y42 Y92 Y93 A95 | P6-F84 HydrophobicContact CB-CD1 3.86Å; P6-F84 HydrophobicContact CB-CE1 3.79Å; P6-F84 HydrophobicContact CG-CD1 3.58Å; P6-F84 HydrophobicContact CG-CD2 4.48Å; P6-F84 HydrophobicContact CG-CE1 3.48Å; P6-F84 VanDerWaalsContact CG-CE1 3.48Å; P6-F84 HydrophobicContact CG-CE2 4.36Å; P6-F84 HydrophobicContact CG-CG 4.1Å; P6-F84 HydrophobicContact CG-CZ 3.89Å; P6-F84 VanDerWaalsContact O-CA 3.3Å; P6-F84 WeakPolarHBondContact O-CA 3.38Å; L8-F84 HydrophobicContact CD1-CB 4.48Å; Y42-F84 HydrophobicContact CD1-CD2 4.39Å; Y42-F84 HydrophobicContact CD1-CG 4.42Å; Y42-F84 HydrophobicContact CE1-CD1 4.27Å; Y42-F84 HydrophobicContact CE1-CD2 4.04Å; Y42-F84 HydrophobicContact CE1-CE2 4.32Å; Y42-F84 HydrophobicContact CE1-CG 4.04Å; F84-Y92 CarbonylContact O-C 3.51Å; F84-Y92 WeakPolarHBondContact O-CA 3.36Å; F84-Y93 PolarHBondContact N-O 2.95Å; F84-Y93 PolarHBondContact O-N 3.28Å; F84-A95 HydrophobicContact CD2-CB 3.56Å; F84-A95 HydrophobicContact CE2-CB 3.34Å; F84-A95 HydrophobicContact CZ-CB 4.32Å |
| 85 | Q | 92.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.5 | 177.2 | -171.6 | 176.9 | 44.4 | 0 | 0 | 111.7 | V5 P6 P7 L8 P87 K90 A91 Y92 | V5-Q85 HydrophobicContact CG2-CB 3.58Å; P6-Q85 PolarHBondContact O-N 2.97Å; P7-Q85 CarbonylContact C-O 3.56Å; P7-Q85 WeakPolarHBondContact CA-O 3.38Å; L8-Q85 PolarHBondContact N-O 3.11Å; Q85-P87 VanDerWaalsContact O-CD 3.3Å; Q85-P87 WeakPolarHBondContact O-CD 3.3Å; Q85-K90 PolarHBondContact NE2-O 2.95Å; Q85-A91 CarbonylContact C-O 3.54Å; Q85-A91 WeakPolarHBondContact CA-O 3.49Å; Q85-Y92 HydrophobicContact CB-CD1 4.1Å; Q85-Y92 HydrophobicContact CB-CE1 4.13Å; Q85-Y92 HydrophobicContact CG-CD1 4.29Å; Q85-Y92 HydrophobicContact CG-CE1 4.18Å; Q85-Y92 PolarHBondContact NE2-OH 3.4Å |
| 86 | C | 89.5 | Confident | 93.8 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | trans | -64.9 | 120 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | L8 G88 T89 K90 A91 Y93 | L8-C86 HydrophobicContact CD2-CB 4.18Å; C86-G88 VanDerWaalsContact C-N 3.28Å; C86-G88 PolarHBondContact O-N 3.11Å; C86-T89 WeakPolarHBondContact CB-OG1 3.42Å; C86-T89 PolarHBondContact SG-OG1 3.05Å; C86-T89 VanDerWaalsContact SG-OG1 3.35Å; C86-K90 WeakPolarHBondContact O-CA 3.47Å; C86-K90 PolarHBondContact O-N 3.11Å; C86-A91 HydrophobicContact CB-CB 4.45Å; C86-A91 PolarHBondContact N-O 2.94Å; C86-Y93 HydrophobicContact CB-CE2 4.14Å | ||
| 87 | P | 86.7 | Confident | 93.8 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -37.8 | -175.2 | -28.3 | 36.4 | 0 | 0 | 0 | 114.2 | P7 Q85 K90 | P7-P87 HydrophobicContact CB-CG 3.86Å; Q85-P87 VanDerWaalsContact O-CD 3.3Å; Q85-P87 WeakPolarHBondContact O-CD 3.3Å; P87-K90 WeakPolarHBondContact O-CE 3.42Å; P87-K90 PolarHBondContact O-NZ 3.14Å |
| 88 | G | 85.9 | Confident | 93.7 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 72% | 0.722 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -53 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C86 | C86-G88 VanDerWaalsContact C-N 3.28Å; C86-G88 PolarHBondContact O-N 3.11Å |
| 89 | T | 86.9 | Confident | 93.7 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.3 | -175.7 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | C86 A91 | C86-T89 WeakPolarHBondContact CB-OG1 3.42Å; C86-T89 PolarHBondContact SG-OG1 3.05Å; C86-T89 VanDerWaalsContact SG-OG1 3.35Å; T89-A91 PolarHBondContact O-N 3.05Å; T89-A91 VanDerWaalsContact O-N 3.11Å; T89-A91 WeakPolarHBondContact OG1-CB 3.35Å; T89-A91 PolarHBondContact OG1-N 3.05Å |
| 90 | K | 86.2 | Confident | 93.5 | Very high | 123 Ų | 123 | 39.3 Ų | 39.3 | 54% | 0.535 | 22% | 0.221 | S | C | . | . | trans | 60.2 | 9.4 | -170 | -53.7 | -55.3 | -173.8 | -164 | 0 | 114.7 | Q85 C86 P87 | Q85-K90 PolarHBondContact NE2-O 2.95Å; C86-K90 WeakPolarHBondContact O-CA 3.47Å; C86-K90 PolarHBondContact O-N 3.11Å; P87-K90 WeakPolarHBondContact O-CE 3.42Å; P87-K90 PolarHBondContact O-NZ 3.14Å | ||
| 91 | A | 87.8 | Confident | 93.3 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 28% | 0.281 | 23% | 0.225 | S | C | . | . | trans | -64.5 | 141 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q85 C86 T89 Y93 | Q85-A91 CarbonylContact C-O 3.54Å; Q85-A91 WeakPolarHBondContact CA-O 3.49Å; C86-A91 HydrophobicContact CB-CB 4.45Å; C86-A91 PolarHBondContact N-O 2.94Å; T89-A91 PolarHBondContact O-N 3.05Å; T89-A91 VanDerWaalsContact O-N 3.11Å; T89-A91 WeakPolarHBondContact OG1-CB 3.35Å; T89-A91 PolarHBondContact OG1-N 3.05Å; A91-Y93 HydrophobicContact CB-CE2 4.01Å | ||
| 92 | Y | 91.3 | Very high | 93.1 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 144.1 | 177.3 | -67.8 | -84.5 | 0 | 0 | 0 | 111.3 | F2 V5 L45 V83 F84 Q85 | F2-Y92 HydrophobicContact CD2-CD1 4.26Å; F2-Y92 HydrophobicContact CD2-CE1 4.16Å; V5-Y92 HydrophobicContact CG2-CD1 4.19Å; V5-Y92 HydrophobicContact CG2-CE1 3.79Å; L45-Y92 WeakPolarHBondContact CB-O 3.28Å; L45-Y92 PolarHBondContact N-O 3.33Å; V83-Y92 HydrophobicContact CG1-CD1 3.78Å; V83-Y92 HydrophobicContact CG1-CG 4.45Å; F84-Y92 CarbonylContact O-C 3.51Å; F84-Y92 WeakPolarHBondContact O-CA 3.36Å; Q85-Y92 HydrophobicContact CB-CD1 4.1Å; Q85-Y92 HydrophobicContact CB-CE1 4.13Å; Q85-Y92 HydrophobicContact CG-CD1 4.29Å; Q85-Y92 HydrophobicContact CG-CE1 4.18Å; Q85-Y92 PolarHBondContact NE2-OH 3.4Å |
| 93 | Y | 93.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.6 | 177.6 | -72.7 | -99.8 | 0 | 0 | 0 | 109.5 | L8 L33 K43 V83 F84 C86 A91 | L8-Y93 HydrophobicContact CD1-CD2 4.29Å; L8-Y93 HydrophobicContact CD1-CG 4.11Å; L8-Y93 HydrophobicContact CD2-CD2 4.07Å; L8-Y93 HydrophobicContact CD2-CE2 4.02Å; L33-Y93 HydrophobicContact CD1-CE1 3.84Å; L33-Y93 HydrophobicContact CG-CE1 4.22Å; K43-Y93 CarbonylContact O-C 3.45Å; K43-Y93 WeakPolarHBondContact O-CA 3.35Å; V83-Y93 CarbonylContact C-O 3.56Å; V83-Y93 WeakPolarHBondContact CA-O 3.49Å; F84-Y93 PolarHBondContact N-O 2.95Å; F84-Y93 PolarHBondContact O-N 3.28Å; C86-Y93 HydrophobicContact CB-CE2 4.14Å; A91-Y93 HydrophobicContact CB-CE2 4.01Å |
| 94 | M | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.4 | 168.6 | 170.9 | 169.6 | 65.6 | 0 | 0 | 109.1 | Y42 K43 L45 E54 V55 Y58 Y80 L96 | Y42-M94 WeakPolarHBondContact CA-O 3.49Å; K43-M94 HydrophobicContact CD-CE 4.12Å; K43-M94 PolarHBondContact N-O 3.29Å; K43-M94 PolarHBondContact O-N 2.75Å; L45-M94 HydrophobicContact CD2-CB 3.7Å; L45-M94 HydrophobicContact CG-CB 4.46Å; E54-M94 HydrophobicContact CG-CE 3.81Å; V55-M94 HydrophobicContact CG2-CB 4.36Å; V55-M94 HydrophobicContact CG2-SD 3.98Å; Y58-M94 HydrophobicContact CD2-CE 3.96Å; Y58-M94 HydrophobicContact CD2-SD 3.53Å; Y58-M94 VanDerWaalsContact CD2-SD 3.53Å; Y58-M94 HydrophobicContact CE2-CE 3.83Å; Y58-M94 HydrophobicContact CE2-SD 4Å; Y58-M94 HydrophobicContact CG-SD 4.25Å; Y80-M94 HydrophobicContact CD2-CG 3.95Å; Y80-M94 HydrophobicContact CD2-SD 4.06Å; Y80-M94 HydrophobicContact CE2-CG 3.77Å; Y80-M94 HydrophobicContact CE2-SD 3.95Å; M94-L96 HydrophobicContact CE-CD1 3.93Å; M94-L96 HydrophobicContact CE-CD2 4.33Å; M94-L96 HydrophobicContact CE-CG 4.32Å; M94-L96 HydrophobicContact CG-CD2 3.91Å; M94-L96 HydrophobicContact CG-CG 4.05Å; M94-L96 HydrophobicContact SD-CD2 4.08Å |
| 95 | A | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I40 I41 Y42 Y81 G82 F84 | I40-A95 HydrophobicContact CG2-CB 4.12Å; I41-A95 CarbonylContact O-C 3.55Å; I41-A95 VanDerWaalsContact O-CA 3.31Å; I41-A95 WeakPolarHBondContact O-CA 3.33Å; Y42-A95 HydrophobicContact CD1-CB 3.84Å; Y42-A95 HydrophobicContact CE1-CB 3.66Å; Y81-A95 PolarHBondContact N-O 3.29Å; G82-A95 PolarHBondContact O-N 2.78Å; F84-A95 HydrophobicContact CD2-CB 3.56Å; F84-A95 HydrophobicContact CE2-CB 3.34Å; F84-A95 HydrophobicContact CZ-CB 4.32Å |
| 96 | L | 98.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158 | -179.8 | -60.9 | 177.8 | 0 | 0 | 0 | 110.1 | I40 I41 Y58 P78 T79 Y80 M94 | I40-L96 CarbonylContact C-O 3.57Å; I40-L96 WeakPolarHBondContact CA-O 3.31Å; I40-L96 WeakPolarHBondContact CG2-O 3.31Å; I41-L96 HydrophobicContact CD1-CB 4.49Å; I41-L96 HydrophobicContact CG1-CB 4.02Å; I41-L96 PolarHBondContact N-O 3.12Å; I41-L96 PolarHBondContact O-N 3.46Å; Y58-L96 HydrophobicContact CD1-CD2 4.16Å; Y58-L96 HydrophobicContact CD2-CD2 4.35Å; Y58-L96 HydrophobicContact CE1-CD2 3.83Å; Y58-L96 HydrophobicContact CE2-CD1 4.35Å; Y58-L96 HydrophobicContact CE2-CD2 4.05Å; Y58-L96 HydrophobicContact CG-CD2 4.4Å; P78-L96 HydrophobicContact CB-CB 3.87Å; P78-L96 HydrophobicContact CB-CD1 4.2Å; P78-L96 HydrophobicContact CB-CD2 4.28Å; P78-L96 HydrophobicContact CB-CG 4.34Å; P78-L96 HydrophobicContact CG-CD1 4.38Å; T79-L96 CarbonylContact O-C 3.56Å; T79-L96 WeakPolarHBondContact O-CA 3.39Å; Y80-L96 HydrophobicContact CD2-CD2 4.08Å; M94-L96 HydrophobicContact CE-CD1 3.93Å; M94-L96 HydrophobicContact CE-CD2 4.33Å; M94-L96 HydrophobicContact CE-CG 4.32Å; M94-L96 HydrophobicContact CG-CD2 3.91Å; M94-L96 HydrophobicContact CG-CG 4.05Å; M94-L96 HydrophobicContact SD-CD2 4.08Å |
| 97 | S | 98.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 137.9 | 169.8 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | P78 T79 L99 | P78-S97 WeakPolarHBondContact CA-OG 3.42Å; T79-S97 PolarHBondContact N-OG 2.94Å; T79-S97 PolarHBondContact O-N 3.49Å; S97-L99 PolarHBondContact O-N 3.19Å |
| 98 | D | 97.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | trans | -73.4 | 104 | 172.3 | -177.2 | -4.7 | 0 | 0 | 0 | 109.3 | Y15 R34 P39 I41 V100 A101 | Y15-D98 WeakPolarHBondContact CE2-OD1 3.23Å; Y15-D98 PolarHBondContact OH-OD1 2.71Å; R34-D98 IonicContact CZ-OD2 3.26Å; R34-D98 IonicContact NE-OD2 3.01Å; R34-D98 PolarHBondContact NE-OD2 3.36Å; R34-D98 IonicContact NH2-OD2 3.38Å; P39-D98 VanDerWaalsContact C-CB 3.42Å; P39-D98 HydrophobicContact CB-CB 4.39Å; P39-D98 PolarHBondContact O-N 3.45Å; I41-D98 HydrophobicContact CG2-CB 3.87Å; D98-V100 PolarHBondContact O-N 2.74Å; D98-V100 WeakPolarHBondContact OD1-CG2 3.43Å; D98-V100 PolarHBondContact OD1-N 3.22Å; D98-V100 VanDerWaalsContact OD1-N 3.17Å; D98-A101 HydrophobicContact CB-CB 3.98Å; D98-A101 WeakPolarHBondContact O-CB 3.32Å; D98-A101 PolarHBondContact O-N 2.77Å; D98-A101 PolarHBondContact OD1-N 3.49Å | ||
| 99 | L | 97.1 | Very high | 94 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.6 | -174.8 | -62.1 | -178.8 | 0 | 0 | 0 | 113.8 | P78 S97 L220 I222 Y288 I290 | P78-L99 HydrophobicContact CB-CD2 4.2Å; P78-L99 HydrophobicContact CG-CD1 3.87Å; P78-L99 HydrophobicContact CG-CD2 4.06Å; P78-L99 HydrophobicContact CG-CG 4.12Å; S97-L99 PolarHBondContact O-N 3.19Å; L99-L220 HydrophobicContact CD1-CD2 3.84Å; L99-I222 HydrophobicContact CB-CD1 4.02Å; L99-Y288 HydrophobicContact CB-CD2 4.13Å; L99-Y288 HydrophobicContact CB-CE2 4.2Å; L99-Y288 HydrophobicContact CD1-CD2 3.61Å; L99-Y288 HydrophobicContact CD1-CE2 4.39Å; L99-Y288 HydrophobicContact CD1-CG 3.7Å; L99-Y288 HydrophobicContact CD2-CD1 3.93Å; L99-Y288 HydrophobicContact CD2-CD2 3.74Å; L99-Y288 HydrophobicContact CD2-CE1 3.98Å; L99-Y288 HydrophobicContact CD2-CE2 3.77Å; L99-Y288 HydrophobicContact CD2-CG 3.82Å; L99-Y288 HydrophobicContact CG-CD2 4.03Å; L99-Y288 HydrophobicContact CG-CE2 4.33Å; L99-Y288 HydrophobicContact CG-CG 4.32Å; L99-I290 HydrophobicContact CD1-CG2 4.17Å |
| 100 | V | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 11.8 | 179.8 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | Y15 F17 D98 D102 F103 P106 I108 I222 | Y15-V100 HydrophobicContact CE2-CG2 4.17Å; Y15-V100 WeakPolarHBondContact OH-CG2 3.28Å; F17-V100 HydrophobicContact CB-CG2 3.89Å; F17-V100 HydrophobicContact CD2-CG2 3.44Å; F17-V100 VanDerWaalsContact CD2-CG2 3.44Å; F17-V100 HydrophobicContact CE2-CG2 4.23Å; F17-V100 HydrophobicContact CG-CG2 3.94Å; D98-V100 PolarHBondContact O-N 2.74Å; D98-V100 WeakPolarHBondContact OD1-CG2 3.43Å; D98-V100 PolarHBondContact OD1-N 3.22Å; D98-V100 VanDerWaalsContact OD1-N 3.17Å; V100-D102 PolarHBondContact O-N 2.94Å; V100-D102 VanDerWaalsContact O-N 3.17Å; V100-F103 HydrophobicContact CB-CD2 4.26Å; V100-F103 PolarHBondContact O-N 2.86Å; V100-P106 HydrophobicContact CB-CG 4.3Å; V100-I108 HydrophobicContact CG1-CD1 3.96Å; V100-I222 HydrophobicContact CG1-CD1 3.84Å; V100-I222 HydrophobicContact CG1-CG1 4.24Å; V100-I222 HydrophobicContact CG1-CG2 4.19Å |
| 101 | A | 94.7 | Very high | 95 | Very high | 27 Ų | 27 | 32.2 Ų | 32.2 | 22% | 0.223 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -34.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | P39 D98 F103 | P39-A101 HydrophobicContact CB-CB 3.54Å; D98-A101 HydrophobicContact CB-CB 3.98Å; D98-A101 WeakPolarHBondContact O-CB 3.32Å; D98-A101 PolarHBondContact O-N 2.77Å; D98-A101 PolarHBondContact OD1-N 3.49Å; A101-F103 VanDerWaalsContact C-N 3.35Å |
| 102 | D | 92.2 | Very high | 95.4 | Very high | 159 Ų | 159 | 33 Ų | 33 | 85% | 0.85 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.9 | -177.2 | -62.1 | -34.4 | 0 | 0 | 0 | 113.2 | V100 | V100-D102 PolarHBondContact O-N 2.94Å; V100-D102 VanDerWaalsContact O-N 3.17Å |
| 103 | F | 92.5 | Very high | 95.7 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 11% | 0.105 | 15% | 0.148 | C | C | . | . | trans | -100.8 | 138.9 | 178.7 | -61 | -97.8 | 0 | 0 | 0 | 110.9 | V100 A101 P106 I222 E224 E286 | V100-F103 HydrophobicContact CB-CD2 4.26Å; V100-F103 PolarHBondContact O-N 2.86Å; A101-F103 VanDerWaalsContact C-N 3.35Å; F103-P106 HydrophobicContact CB-CB 3.72Å; F103-P106 HydrophobicContact CB-CG 3.97Å; F103-P106 HydrophobicContact CD1-CB 4.33Å; F103-P106 HydrophobicContact CG-CB 4.11Å; F103-I222 HydrophobicContact CD1-CG2 3.94Å; F103-I222 HydrophobicContact CD2-CG2 4Å; F103-I222 HydrophobicContact CE1-CG2 3.73Å; F103-I222 HydrophobicContact CE2-CG2 3.76Å; F103-I222 HydrophobicContact CG-CG2 4.07Å; F103-I222 HydrophobicContact CZ-CB 4.33Å; F103-I222 HydrophobicContact CZ-CG2 3.63Å; F103-E224 HydrophobicContact CD1-CB 4.15Å; F103-E286 HydrophobicContact CE2-CG 4.34Å; F103-E286 HydrophobicContact CZ-CB 4.25Å; F103-E286 HydrophobicContact CZ-CG 3.92Å | ||
| 104 | K | 90.2 | Very high | 95.7 | Very high | 192 Ų | 192 | 29 Ų | 29 | 84% | 0.835 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -88.5 | -46.4 | 177 | -64 | 178.1 | -177.7 | 174.2 | 0 | 111.2 | E224 | K104-E224 PolarHBondContact N-OE2 3.2Š|
| 105 | Q | 91.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 30 Ų | 30 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -138.9 | 64.8 | -177.1 | -165.8 | 176.2 | 77.2 | 0 | 0 | 110.6 | N107 S147 E224 S225 | Q105-N107 PolarHBondContact O-N 2.86Å; Q105-S147 WeakPolarHBondContact CG-OG 3.35Å; Q105-S147 PolarHBondContact NE2-OG 3.45Å; Q105-S147 PolarHBondContact OE1-OG 2.94Å; Q105-E224 WeakPolarHBondContact CA-OE1 3.44Å; Q105-E224 WeakPolarHBondContact CB-OE1 3.46Å; Q105-E224 PolarHBondContact N-OE1 2.99Å; Q105-E224 PolarHBondContact N-OE2 2.79Å; Q105-S225 WeakPolarHBondContact O-CB 3.45Å; Q105-S225 PolarHBondContact O-N 2.87Å; Q105-S225 PolarHBondContact O-OG 2.75Å |
| 106 | P | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 134.1 | -172.3 | 26.9 | -34.6 | 0 | 0 | 0 | 112.5 | F17 V100 F103 I108 Q145 I222 H223 | F17-P106 HydrophobicContact CD1-CG 3.96Å; F17-P106 HydrophobicContact CE1-CG 3.92Å; F17-P106 HydrophobicContact CG-CG 4.28Å; F17-P106 HydrophobicContact CZ-CG 4.21Å; V100-P106 HydrophobicContact CB-CG 4.3Å; F103-P106 HydrophobicContact CB-CB 3.72Å; F103-P106 HydrophobicContact CB-CG 3.97Å; F103-P106 HydrophobicContact CD1-CB 4.33Å; F103-P106 HydrophobicContact CG-CB 4.11Å; P106-I108 HydrophobicContact CB-CD1 4.12Å; P106-I108 HydrophobicContact CB-CG1 3.84Å; P106-I108 HydrophobicContact CG-CD1 3.98Å; P106-I108 HydrophobicContact CG-CG1 4.25Å; P106-Q145 PolarHBondContact O-NE2 2.86Å; P106-I222 HydrophobicContact CB-CG2 3.93Å; P106-H223 CarbonylContact C-O 3.57Å; P106-H223 WeakPolarHBondContact CA-O 3.41Å |
| 107 | N | 97.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.3 | 155 | -76.6 | -1.9 | 0 | 0 | 0 | 108.1 | Q105 Q145 I146 S147 F178 I222 H223 S225 | Q105-N107 PolarHBondContact O-N 2.86Å; N107-Q145 CarbonylContact C-O 3.54Å; N107-Q145 WeakPolarHBondContact CA-O 3.05Å; N107-I146 WeakPolarHBondContact OD1-CA 3.32Å; N107-S147 PolarHBondContact OD1-N 3.3Å; N107-F178 HydrophobicContact CB-CD2 4.02Å; N107-F178 HydrophobicContact CB-CE2 3.77Å; N107-F178 PolarHBondContact ND2-O 3.12Å; N107-I222 WeakPolarHBondContact O-CA 3.27Å; N107-H223 WeakPolarHBondContact CB-NE2 3.46Å; N107-H223 PolarHBondContact N-O 2.79Å; N107-H223 PolarHBondContact ND2-CE1 3.5Å; N107-H223 VanDerWaalsContact ND2-CE1 3.35Å; N107-H223 PolarHBondContact ND2-NE2 3.24Å; N107-H223 PolarHBondContact O-N 3.3Å; N107-H223 VanDerWaalsContact O-N 3.14Å; N107-S225 PolarHBondContact OD1-OG 2.92Å |
| 108 | I | 97.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126.9 | -173.7 | -50.7 | 171 | 0 | 0 | 0 | 110.2 | F17 V19 V100 P106 I144 Q145 L220 L221 I222 | F17-I108 HydrophobicContact CB-CD1 3.82Å; F17-I108 HydrophobicContact CG-CD1 4.44Å; V19-I108 HydrophobicContact CB-CG2 4.46Å; V19-I108 HydrophobicContact CG1-CB 3.73Å; V19-I108 HydrophobicContact CG1-CD1 4.26Å; V19-I108 HydrophobicContact CG1-CG2 3.82Å; V19-I108 HydrophobicContact CG2-CG2 3.77Å; V100-I108 HydrophobicContact CG1-CD1 3.96Å; P106-I108 HydrophobicContact CB-CD1 4.12Å; P106-I108 HydrophobicContact CB-CG1 3.84Å; P106-I108 HydrophobicContact CG-CD1 3.98Å; P106-I108 HydrophobicContact CG-CG1 4.25Å; I108-I144 CarbonylContact O-C 3.5Å; I108-I144 VanDerWaalsContact O-CA 3.31Å; I108-I144 WeakPolarHBondContact O-CA 3.42Å; I108-Q145 HydrophobicContact CB-CB 4.4Å; I108-Q145 PolarHBondContact N-O 3.38Å; I108-Q145 PolarHBondContact O-N 2.91Å; I108-L220 HydrophobicContact CG2-CD1 3.51Å; I108-L220 HydrophobicContact CG2-CG 4.03Å; I108-L221 CarbonylContact C-O 3.44Å; I108-L221 WeakPolarHBondContact CA-O 3.3Å; I108-I222 HydrophobicContact CG1-CG1 4.47Å; I108-I222 HydrophobicContact CG1-CG2 4.48Å; I108-I222 HydrophobicContact CG2-CG1 4.3Å |
| 109 | C | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.2 | 169.7 | -86 | 0 | 0 | 0 | 0 | 110.8 | F111 I144 F178 L220 L221 | C109-F111 HydrophobicContact CB-CD2 4.19Å; C109-F111 HydrophobicContact CB-CE2 3.74Å; C109-I144 WeakPolarHBondContact SG-CD1 3.5Å; C109-I144 VanDerWaalsContact SG-CG1 3.5Å; C109-F178 HydrophobicContact CB-CD2 4.26Å; C109-F178 HydrophobicContact CB-CE2 3.95Å; C109-F178 HydrophobicContact CB-CZ 4.09Å; C109-F178 WeakPolarHBondContact SG-CD2 3.36Å; C109-F178 VanDerWaalsContact SG-CG 3.52Å; C109-L220 CarbonylContact O-C 3.51Å; C109-L220 WeakPolarHBondContact O-CA 3.4Å; C109-L221 HydrophobicContact CB-CB 4.21Å; C109-L221 PolarHBondContact N-O 3.5Å; C109-L221 PolarHBondContact O-N 3.35Å |
| 110 | D | 97.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.7 | 168.8 | -177.6 | -40.3 | 0 | 0 | 0 | 109.3 | V19 A20 A142 G143 S218 L219 L220 | V19-D110 HydrophobicContact CG2-CB 3.83Å; A20-D110 HydrophobicContact CB-CB 3.98Å; A20-D110 WeakPolarHBondContact CB-OD2 3.37Å; D110-A142 HydrophobicContact CB-CB 4.15Å; D110-A142 WeakPolarHBondContact O-CB 3.33Å; D110-A142 PolarHBondContact O-N 2.97Å; D110-A142 VanDerWaalsContact OD1-CB 3.28Å; D110-A142 WeakPolarHBondContact OD1-CB 3.26Å; D110-G143 PolarHBondContact N-O 3.41Å; D110-G143 PolarHBondContact O-N 3.36Å; D110-S218 WeakPolarHBondContact OD1-CB 3.17Å; D110-S218 PolarHBondContact OD1-OG 3.09Å; D110-L219 WeakPolarHBondContact CA-O 3.3Å; D110-L220 HydrophobicContact CB-CD1 4.06Å |
| 111 | F | 97.6 | Very high | 92 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.5 | 173.7 | -72.5 | -77.6 | 0 | 0 | 0 | 110.7 | C109 M113 I139 M140 L141 S218 L219 L221 L330 | C109-F111 HydrophobicContact CB-CD2 4.19Å; C109-F111 HydrophobicContact CB-CE2 3.74Å; F111-M113 HydrophobicContact CB-SD 3.94Å; F111-M113 PolarHBondContact O-N 2.66Å; F111-I139 HydrophobicContact CD1-CB 4.33Å; F111-I139 HydrophobicContact CD1-CD1 4.22Å; F111-I139 HydrophobicContact CE1-CD1 4.25Å; F111-M140 CarbonylContact C-O 3.43Å; F111-M140 WeakPolarHBondContact CA-O 3.26Å; F111-L141 HydrophobicContact CD1-CB 4.34Å; F111-L141 HydrophobicContact CD1-CD1 4.2Å; F111-L141 HydrophobicContact CE1-CB 4.07Å; F111-L141 HydrophobicContact CE1-CD1 3.76Å; F111-L141 HydrophobicContact CZ-CD1 3.93Å; F111-S218 CarbonylContact O-C 3.48Å; F111-S218 WeakPolarHBondContact O-CA 3.28Å; F111-S218 WeakPolarHBondContact O-CB 3.36Å; F111-S218 PolarHBondContact O-OG 3.13Å; F111-L219 PolarHBondContact N-O 3.26Å; F111-L219 PolarHBondContact O-N 3.36Å; F111-L221 HydrophobicContact CD2-CD1 4.34Å; F111-L221 HydrophobicContact CE2-CD2 4.47Å; F111-L330 HydrophobicContact CD1-CD2 4.41Å; F111-L330 HydrophobicContact CD2-CD1 4.43Å; F111-L330 HydrophobicContact CD2-CD2 3.93Å; F111-L330 HydrophobicContact CE1-CD2 4.37Å; F111-L330 HydrophobicContact CE2-CD2 3.88Å; F111-L330 HydrophobicContact CG-CD2 4.19Å; F111-L330 HydrophobicContact CZ-CD2 4.11Å |
| 112 | K | 96 | Very high | 91.4 | Very high | 51 Ų | 51 | 40 Ų | 40 | 22% | 0.222 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127.9 | 164.2 | -69.1 | -160.9 | 169.5 | -69.4 | 0 | 109.6 | I139 M140 A142 R216 D291 | K112-I139 CarbonylContact O-C 3.57Å; K112-I139 WeakPolarHBondContact O-CA 3.34Å; K112-M140 HydrophobicContact CB-CE 4.12Å; K112-M140 HydrophobicContact CD-CE 3.68Å; K112-M140 HydrophobicContact CG-CE 3.97Å; K112-M140 PolarHBondContact N-O 3.46Å; K112-M140 PolarHBondContact O-N 3.14Å; K112-A142 HydrophobicContact CG-CB 4.02Å; K112-R216 PolarHBondContact NZ-O 3.03Å; K112-D291 IonicContact NZ-OD2 2.81Å; K112-D291 PolarHBondContact NZ-OD2 3.4Å |
| 113 | M | 96.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 153.4 | -174.7 | -54 | -55.3 | -66.4 | 0 | 0 | 112.1 | F111 I139 S217 L219 F323 G326 L327 L330 | F111-M113 HydrophobicContact CB-SD 3.94Å; F111-M113 PolarHBondContact O-N 2.66Å; M113-I139 HydrophobicContact CE-CG2 3.62Å; M113-I139 HydrophobicContact SD-CG2 3.76Å; M113-S217 PolarHBondContact N-O 3.21Å; M113-L219 HydrophobicContact CE-CD1 3.55Å; M113-L219 HydrophobicContact CE-CG 4.36Å; M113-L219 HydrophobicContact CG-CB 4.29Å; M113-L219 HydrophobicContact CG-CD1 4.14Å; M113-L219 HydrophobicContact CG-CG 3.91Å; M113-L219 HydrophobicContact SD-CB 4.03Å; M113-L219 HydrophobicContact SD-CD1 3.68Å; M113-L219 HydrophobicContact SD-CG 3.94Å; M113-F323 HydrophobicContact CB-CD2 3.41Å; M113-F323 VanDerWaalsContact CB-CD2 3.41Å; M113-F323 HydrophobicContact CB-CE2 3.48Å; M113-F323 VanDerWaalsContact CB-CE2 3.48Å; M113-F323 HydrophobicContact CG-CD2 4.17Å; M113-F323 HydrophobicContact CG-CE2 3.7Å; M113-G326 VanDerWaalsContact CE-C 3.46Å; M113-L327 HydrophobicContact CE-CG 4.39Å; M113-L330 HydrophobicContact CE-CD1 3.97Å; M113-L330 HydrophobicContact SD-CD1 4.16Å |
| 114 | G | 94.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | trans | 103.4 | 142.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V116 R134 G138 | G114-V116 PolarHBondContact O-N 2.99Å; G114-R134 WeakPolarHBondContact O-CG 3.38Å; G114-R134 PolarHBondContact O-NH1 2.86Å; G114-G138 PolarHBondContact N-O 2.78Å | ||
| 115 | T | 93 | Very high | 88.5 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 13% | 0.129 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -71.3 | -20.4 | 173 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | R134 R135 G322 | T115-R134 WeakPolarHBondContact O-CG 3.33Å; T115-R135 WeakPolarHBondContact CG2-O 3.35Å; T115-G322 WeakPolarHBondContact OG1-CA 3.48Å |
| 116 | V | 89.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | trans | -123.7 | 153.2 | 174.7 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | G114 W315 E318 L319 | G114-V116 PolarHBondContact O-N 2.99Å; V116-W315 HydrophobicContact CG1-CZ3 4.44Å; V116-E318 HydrophobicContact CG1-CG 3.69Å; V116-E318 WeakPolarHBondContact CG1-OE1 3.49Å; V116-E318 HydrophobicContact CG2-CG 4.33Å; V116-L319 HydrophobicContact CG2-CD2 3.53Å; V116-L319 HydrophobicContact CG2-CG 3.96Å | ||
| 117 | I | 86.1 | Confident | 86.1 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -105.3 | 3.3 | -175 | 61.5 | 173.5 | 0 | 0 | 0 | 113.4 | I124 Q128 F129 R134 R216 | I117-I124 HydrophobicContact CD1-CD1 4.07Å; I117-I124 HydrophobicContact CD1-CG2 4.34Å; I117-I124 HydrophobicContact CG1-CD1 3.98Å; I117-Q128 HydrophobicContact CD1-CB 4.07Å; I117-Q128 WeakPolarHBondContact CD1-O 3.17Å; I117-F129 HydrophobicContact CD1-CD1 3.9Å; I117-F129 HydrophobicContact CD1-CE1 4Å; I117-F129 HydrophobicContact CD1-CG 4.35Å; I117-F129 HydrophobicContact CG1-CD1 4.29Å; I117-F129 HydrophobicContact CG1-CE1 4.05Å; I117-R134 VanDerWaalsContact CG2-CD 3.41Å; I117-R134 VanDerWaalsContact CG2-CZ 3.46Å; I117-R216 HydrophobicContact CB-CG 4.42Å; I117-R216 WeakPolarHBondContact O-CD 3.19Å; I117-R216 WeakPolarHBondContact O-CG 3.42Å; I117-R216 PolarHBondContact O-NE 3.3Å |
| 118 | N | 86.9 | Confident | 84.6 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -163.4 | 165.7 | -166.5 | 64.2 | -66.5 | 0 | 0 | 0 | 114.2 | D122 I124 | N118-D122 HydrophobicContact CB-CB 3.94Å; N118-I124 HydrophobicContact CB-CD1 3.2Å; N118-I124 HydrophobicContact CB-CG1 4.33Å; N118-I124 WeakPolarHBondContact ND2-CD1 3.5Å; N118-I124 WeakPolarHBondContact OD1-CD1 3.41Å |
| 119 | Y | 85.2 | Confident | 83.1 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | trans | -81.6 | 155.9 | 168.1 | -63.7 | -81 | 0 | 0 | 0 | 110.5 | E121 D122 T213 K296 L319 | Y119-E121 WeakPolarHBondContact CB-OE2 3.39Å; Y119-E121 PolarHBondContact O-N 2.68Å; Y119-D122 PolarHBondContact N-OD2 2.88Å; Y119-D122 VanDerWaalsContact O-CB 3.31Å; Y119-D122 WeakPolarHBondContact O-CB 3.33Å; Y119-D122 PolarHBondContact O-N 2.73Å; Y119-T213 WeakPolarHBondContact CE1-OG1 3.44Å; Y119-T213 PolarHBondContact OH-O 3.42Å; Y119-T213 VanDerWaalsContact OH-O 3.06Å; Y119-T213 PolarHBondContact OH-OG1 3.44Å; Y119-K296 HydrophobicContact CD1-CD 4.04Å; Y119-K296 VanDerWaalsContact CD1-NZ 3.26Å; Y119-K296 HydrophobicContact CE1-CD 3.65Å; Y119-K296 HydrophobicContact CE1-CG 4.15Å; Y119-K296 HydrophobicContact CE2-CD 4.22Å; Y119-K296 HydrophobicContact CE2-CG 4.21Å; Y119-K296 HydrophobicContact CG-CD 4.46Å; Y119-K296 PolarHBondContact OH-N 3Å; Y119-L319 HydrophobicContact CD1-CD1 3.44Å; Y119-L319 VanDerWaalsContact CD1-CD1 3.44Å; Y119-L319 HydrophobicContact CE1-CD1 3.39Å; Y119-L319 HydrophobicContact CG-CD1 4.42Å | ||
| 120 | P | 79.9 | Confident | 82.1 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 40% | 0.403 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.4 | -173.9 | -24.7 | 36.1 | 0 | 0 | 0 | 114.2 | D122 W315 | P120-D122 VanDerWaalsContact C-N 3.3Å; P120-W315 HydrophobicContact CB-CD2 4.13Å; P120-W315 HydrophobicContact CB-CG 4.14Å; P120-W315 HydrophobicContact CG-CB 3.49Å; P120-W315 VanDerWaalsContact CG-CB 3.49Å; P120-W315 VanDerWaalsContact CG-CD1 3.46Å; P120-W315 HydrophobicContact CG-CD2 3.34Å; P120-W315 HydrophobicContact CG-CE3 3.9Å; P120-W315 HydrophobicContact CG-CG 3.14Å |
| 121 | E | 81.4 | Confident | 81.7 | Confident | 127 Ų | 127 | 56 Ų | 56 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.1 | 178 | 70.7 | -90.4 | -150.1 | 0 | 0 | 114 | Y119 E123 K296 | Y119-E121 WeakPolarHBondContact CB-OE2 3.39Å; Y119-E121 PolarHBondContact O-N 2.68Å; E121-E123 PolarHBondContact O-N 2.79Å; E121-K296 IonicContact OE1-NZ 2.77Å; E121-K296 PolarHBondContact OE1-NZ 3.18Å; E121-K296 IonicContact OE2-NZ 2.92Å |
| 122 | D | 81.6 | Confident | 81.4 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | trans | -76.4 | 121 | 178.2 | -70.9 | -52.8 | 0 | 0 | 0 | 109.9 | N118 Y119 P120 I124 R294 | N118-D122 HydrophobicContact CB-CB 3.94Å; Y119-D122 PolarHBondContact N-OD2 2.88Å; Y119-D122 VanDerWaalsContact O-CB 3.31Å; Y119-D122 WeakPolarHBondContact O-CB 3.33Å; Y119-D122 PolarHBondContact O-N 2.73Å; P120-D122 VanDerWaalsContact C-N 3.3Å; D122-I124 HydrophobicContact CB-CG1 4.36Å; D122-R294 IonicContact OD1-NH1 2.72Å; D122-R294 PolarHBondContact OD1-NH1 3.08Å; D122-R294 IonicContact OD2-NH1 3.46Å; D122-R294 PolarHBondContact OD2-NH1 3.19Å | ||
| 123 | E | 75.9 | Confident | 81.4 | Confident | 194 Ų | 194 | 63.6 Ų | 63.6 | 91% | 0.907 | 33% | 0.326 | S | S | * | . | trans | -73 | 131.2 | 164.4 | -69.3 | -175.6 | 177.4 | 0 | 0 | 110.3 | E121 | E121-E123 PolarHBondContact O-N 2.79Š| ||
| 124 | I | 70.2 | Confident | 81.3 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | trans | -128.9 | 125.6 | -176 | -63.3 | -170.9 | 0 | 0 | 0 | 112.4 | I117 N118 D122 Q128 F129 | I117-I124 HydrophobicContact CD1-CD1 4.07Å; I117-I124 HydrophobicContact CD1-CG2 4.34Å; I117-I124 HydrophobicContact CG1-CD1 3.98Å; N118-I124 HydrophobicContact CB-CD1 3.2Å; N118-I124 HydrophobicContact CB-CG1 4.33Å; N118-I124 WeakPolarHBondContact ND2-CD1 3.5Å; N118-I124 WeakPolarHBondContact OD1-CD1 3.41Å; D122-I124 HydrophobicContact CB-CG1 4.36Å; I124-Q128 HydrophobicContact CG2-CB 3.68Å; I124-Q128 HydrophobicContact CG2-CG 4.34Å; I124-F129 HydrophobicContact CB-CD2 4.48Å; I124-F129 HydrophobicContact CB-CE2 3.54Å; I124-F129 HydrophobicContact CB-CZ 3.81Å; I124-F129 HydrophobicContact CD1-CZ 4.02Å; I124-F129 HydrophobicContact CG1-CZ 4.44Å; I124-F129 HydrophobicContact CG2-CD2 3.78Å; I124-F129 HydrophobicContact CG2-CE2 3.29Å; I124-F129 HydrophobicContact CG2-CZ 3.79Å | ||
| 125 | P | 68.5 | Low | 81.2 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | trans | -58.1 | 132 | 167.2 | -24.7 | 35.5 | 0 | 0 | 0 | 111 | E127 Q128 | P125-E127 HydrophobicContact CB-CG 3.81Å; P125-E127 WeakPolarHBondContact CB-OE1 3.39Å; P125-E127 PolarHBondContact O-N 2.86Å; P125-Q128 PolarHBondContact O-N 2.93Å | ||
| 126 | P | 68.7 | Low | 81.3 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -48 | -32.2 | -179.8 | -30.9 | 35.5 | 0 | 0 | 0 | 114.4 | Q128 F129 | P126-Q128 PolarHBondContact O-N 3.48Å; P126-Q128 VanDerWaalsContact O-N 3.14Å; P126-F129 PolarHBondContact O-N 3.35Å; P126-F129 VanDerWaalsContact O-N 3.08Å |
| 127 | E | 65.4 | Low | 81.7 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -60.6 | -17 | 176.7 | 74.3 | -153.9 | -176.4 | 0 | 0 | 115.2 | P125 Q130 | P125-E127 HydrophobicContact CB-CG 3.81Å; P125-E127 WeakPolarHBondContact CB-OE1 3.39Å; P125-E127 PolarHBondContact O-N 2.86Å; E127-Q130 WeakPolarHBondContact O-CG 3.39Å; E127-Q130 PolarHBondContact O-NE2 3.39Å |
| 128 | Q | 66.6 | Low | 82.1 | Confident | 73 Ų | 73 | 76.1 Ų | 76.1 | 34% | 0.341 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -87.3 | -17.4 | 175.9 | -61.8 | -173.7 | 23.1 | 0 | 0 | 112.7 | I117 I124 P125 P126 Q130 R216 | I117-Q128 HydrophobicContact CD1-CB 4.07Å; I117-Q128 WeakPolarHBondContact CD1-O 3.17Å; I124-Q128 HydrophobicContact CG2-CB 3.68Å; I124-Q128 HydrophobicContact CG2-CG 4.34Å; P125-Q128 PolarHBondContact O-N 2.93Å; P126-Q128 PolarHBondContact O-N 3.48Å; P126-Q128 VanDerWaalsContact O-N 3.14Å; Q128-Q130 PolarHBondContact O-N 3.31Å; Q128-R216 VanDerWaalsContact OE1-CZ 3.27Å |
| 129 | F | 66.9 | Low | 82.6 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -80.8 | 8.7 | 176.5 | -68.3 | -76.8 | 0 | 0 | 0 | 113.7 | I117 I124 P126 Y131 | I117-F129 HydrophobicContact CD1-CD1 3.9Å; I117-F129 HydrophobicContact CD1-CE1 4Å; I117-F129 HydrophobicContact CD1-CG 4.35Å; I117-F129 HydrophobicContact CG1-CD1 4.29Å; I117-F129 HydrophobicContact CG1-CE1 4.05Å; I124-F129 HydrophobicContact CB-CD2 4.48Å; I124-F129 HydrophobicContact CB-CE2 3.54Å; I124-F129 HydrophobicContact CB-CZ 3.81Å; I124-F129 HydrophobicContact CD1-CZ 4.02Å; I124-F129 HydrophobicContact CG1-CZ 4.44Å; I124-F129 HydrophobicContact CG2-CD2 3.78Å; I124-F129 HydrophobicContact CG2-CE2 3.29Å; I124-F129 HydrophobicContact CG2-CZ 3.79Å; P126-F129 PolarHBondContact O-N 3.35Å; P126-F129 VanDerWaalsContact O-N 3.08Å; F129-Y131 PolarHBondContact O-N 2.89Å |
| 130 | Q | 76.4 | Confident | 83.1 | Confident | 96 Ų | 96 | 75 Ų | 75 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | trans | -62.1 | 7.2 | -167.5 | -80.6 | 177.8 | 22 | 0 | 0 | 117.6 | E127 Q128 | E127-Q130 WeakPolarHBondContact O-CG 3.39Å; E127-Q130 PolarHBondContact O-NE2 3.39Å; Q128-Q130 PolarHBondContact O-N 3.31Å | ||
| 131 | Y | 89.6 | Confident | 83.9 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | trans | -108 | 98.4 | 170.2 | -169.5 | -128.1 | 0 | 0 | 0 | 111.6 | F129 W133 R134 L137 I139 M140 G162 R163 L165 | F129-Y131 PolarHBondContact O-N 2.89Å; Y131-W133 HydrophobicContact CE1-CB 3.89Å; Y131-W133 HydrophobicContact CE2-CB 4.22Å; Y131-W133 AromaticContact CE2-CD1 3.99Å; Y131-W133 PolarHBondContact O-N 2.84Å; Y131-R134 HydrophobicContact CD1-CB 3.83Å; Y131-R134 VanDerWaalsContact O-CB 3.3Å; Y131-R134 WeakPolarHBondContact O-CB 3.33Å; Y131-R134 PolarHBondContact O-N 2.96Å; Y131-R134 VanDerWaalsContact O-N 3.12Å; Y131-L137 HydrophobicContact CE1-CD1 4.08Å; Y131-L137 WeakPolarHBondContact OH-CD1 3.36Å; Y131-I139 VanDerWaalsContact CE1-O 3.23Å; Y131-I139 WeakPolarHBondContact CE1-O 3.33Å; Y131-M140 HydrophobicContact CD1-CB 3.64Å; Y131-M140 HydrophobicContact CD1-CG 3.56Å; Y131-M140 HydrophobicContact CD2-CG 4.2Å; Y131-M140 HydrophobicContact CE1-CB 4.09Å; Y131-M140 HydrophobicContact CE1-CG 4.16Å; Y131-M140 HydrophobicContact CG-CB 4.19Å; Y131-M140 HydrophobicContact CG-CG 3.59Å; Y131-G162 WeakPolarHBondContact CE2-O 3.18Å; Y131-R163 WeakPolarHBondContact CD2-O 3.21Å; Y131-L165 WeakPolarHBondContact CE2-O 3.04Å; Y131-L165 PolarHBondContact OH-O 2.68Å | ||
| 132 | T | 91.5 | Very high | 84.5 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 76% | 0.761 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37.8 | -176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | R134 | T132-R134 PolarHBondContact O-N 3.26Š|
| 133 | W | 95.4 | Very high | 85.2 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.4 | -174.5 | -52.6 | 105.6 | 0 | 0 | 0 | 114.2 | Y131 R135 E136 L137 L165 T166 P167 | Y131-W133 HydrophobicContact CE1-CB 3.89Å; Y131-W133 HydrophobicContact CE2-CB 4.22Å; Y131-W133 AromaticContact CE2-CD1 3.99Å; Y131-W133 PolarHBondContact O-N 2.84Å; W133-R135 PolarHBondContact O-N 3.15Å; W133-E136 WeakPolarHBondContact CZ3-OE2 3.45Å; W133-E136 PolarHBondContact O-N 3.46Å; W133-L137 HydrophobicContact CB-CD1 3.83Å; W133-L137 HydrophobicContact CB-CG 4.31Å; W133-L137 WeakPolarHBondContact O-CB 3.14Å; W133-L137 PolarHBondContact O-N 2.87Å; W133-L165 VanDerWaalsContact CD1-O 3.28Å; W133-T166 HydrophobicContact CZ2-CG2 4.39Å; W133-P167 HydrophobicContact CB-CG 4.43Å; W133-P167 VanDerWaalsContact CD2-CD 3.47Å; W133-P167 HydrophobicContact CD2-CG 3.98Å; W133-P167 HydrophobicContact CE3-CG 3.78Å; W133-P167 HydrophobicContact CG-CG 4.27Å; W133-P167 HydrophobicContact CZ3-CG 4.32Å |
| 134 | R | 93.7 | Very high | 86.2 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | -175.7 | -179.6 | 175.2 | -69.1 | -78.4 | -4.4 | 113 | G114 T115 I117 Y131 T132 E136 L137 G138 | G114-R134 WeakPolarHBondContact O-CG 3.38Å; G114-R134 PolarHBondContact O-NH1 2.86Å; T115-R134 WeakPolarHBondContact O-CG 3.33Å; I117-R134 VanDerWaalsContact CG2-CD 3.41Å; I117-R134 VanDerWaalsContact CG2-CZ 3.46Å; Y131-R134 HydrophobicContact CD1-CB 3.83Å; Y131-R134 VanDerWaalsContact O-CB 3.3Å; Y131-R134 WeakPolarHBondContact O-CB 3.33Å; Y131-R134 PolarHBondContact O-N 2.96Å; Y131-R134 VanDerWaalsContact O-N 3.12Å; T132-R134 PolarHBondContact O-N 3.26Å; R134-E136 VanDerWaalsContact C-N 3.25Å; R134-E136 PolarHBondContact O-N 3.28Å; R134-L137 PolarHBondContact O-N 3.08Å; R134-G138 WeakPolarHBondContact O-CA 3.22Å; R134-G138 PolarHBondContact O-N 3.44Å |
| 135 | R | 92.4 | Very high | 87.4 | Confident | 174 Ų | 174 | 53.8 Ų | 53.8 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.2 | -32.9 | -176.9 | -167.3 | 176 | -172.6 | 107.9 | 13 | 111.5 | T115 W133 E318 | T115-R135 WeakPolarHBondContact CG2-O 3.35Å; W133-R135 PolarHBondContact O-N 3.15Å; R135-E318 IonicContact CZ-OE1 2.86Å; R135-E318 IonicContact NH1-OE1 2.66Å; R135-E318 PolarHBondContact NH1-OE1 3.02Å; R135-E318 IonicContact NH2-OE1 2.72Å; R135-E318 PolarHBondContact NH2-OE1 2.79Å |
| 136 | E | 95.3 | Very high | 88.7 | Confident | 110 Ų | 110 | 52 Ų | 52 | 51% | 0.514 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.9 | -40.2 | 178.6 | -174.7 | 177.8 | 142.4 | 0 | 0 | 112.4 | W133 R134 P167 H325 | W133-E136 WeakPolarHBondContact CZ3-OE2 3.45Å; W133-E136 PolarHBondContact O-N 3.46Å; R134-E136 VanDerWaalsContact C-N 3.25Å; R134-E136 PolarHBondContact O-N 3.28Å; E136-P167 WeakPolarHBondContact OE1-CG 2.95Å; E136-H325 PolarHBondContact O-NE2 2.89Å |
| 137 | L | 97.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -96.7 | -25.1 | -173 | -66.7 | 174.1 | 0 | 0 | 0 | 114.2 | Y131 W133 R134 I139 P167 V170 T329 | Y131-L137 HydrophobicContact CE1-CD1 4.08Å; Y131-L137 WeakPolarHBondContact OH-CD1 3.36Å; W133-L137 HydrophobicContact CB-CD1 3.83Å; W133-L137 HydrophobicContact CB-CG 4.31Å; W133-L137 WeakPolarHBondContact O-CB 3.14Å; W133-L137 PolarHBondContact O-N 2.87Å; R134-L137 PolarHBondContact O-N 3.08Å; L137-I139 HydrophobicContact CB-CG1 3.94Å; L137-I139 PolarHBondContact O-N 2.77Å; L137-I139 VanDerWaalsContact O-N 3.1Å; L137-P167 HydrophobicContact CD1-CB 4.47Å; L137-P167 HydrophobicContact CD1-CG 4.22Å; L137-P167 HydrophobicContact CD2-CB 3.95Å; L137-P167 HydrophobicContact CD2-CG 4.18Å; L137-P167 HydrophobicContact CG-CG 4.3Å; L137-V170 HydrophobicContact CD1-CG2 4.07Å; L137-T329 HydrophobicContact CD2-CG2 4.15Å; L137-T329 VanDerWaalsContact O-CB 3.26Å; L137-T329 WeakPolarHBondContact O-CB 3.23Å; L137-T329 WeakPolarHBondContact O-CG2 3.44Å; L137-T329 PolarHBondContact O-OG1 3.28Å |
| 138 | G | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 64.5 | 8.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G114 R134 G326 | G114-G138 PolarHBondContact N-O 2.78Å; R134-G138 WeakPolarHBondContact O-CA 3.22Å; R134-G138 PolarHBondContact O-N 3.44Å; G138-G326 WeakPolarHBondContact O-CA 3.3Å |
| 139 | I | 96.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 161.3 | 178.5 | 59.8 | 173.4 | 0 | 0 | 0 | 111 | F111 K112 M113 Y131 L137 V170 G326 T329 L330 L333 | F111-I139 HydrophobicContact CD1-CB 4.33Å; F111-I139 HydrophobicContact CD1-CD1 4.22Å; F111-I139 HydrophobicContact CE1-CD1 4.25Å; K112-I139 CarbonylContact O-C 3.57Å; K112-I139 WeakPolarHBondContact O-CA 3.34Å; M113-I139 HydrophobicContact CE-CG2 3.62Å; M113-I139 HydrophobicContact SD-CG2 3.76Å; Y131-I139 VanDerWaalsContact CE1-O 3.23Å; Y131-I139 WeakPolarHBondContact CE1-O 3.33Å; L137-I139 HydrophobicContact CB-CG1 3.94Å; L137-I139 PolarHBondContact O-N 2.77Å; L137-I139 VanDerWaalsContact O-N 3.1Å; I139-V170 HydrophobicContact CD1-CG1 4.21Å; I139-G326 WeakPolarHBondContact CG2-O 3.24Å; I139-T329 HydrophobicContact CD1-CG2 4.01Å; I139-T329 HydrophobicContact CG1-CG2 4.31Å; I139-L330 HydrophobicContact CD1-CD2 3.62Å; I139-L330 HydrophobicContact CD1-CG 4.15Å; I139-L330 HydrophobicContact CG2-CD1 4.29Å; I139-L330 HydrophobicContact CG2-CD2 4.47Å; I139-L330 HydrophobicContact CG2-CG 4.05Å; I139-L333 HydrophobicContact CD1-CD1 3.94Å |
| 140 | M | 95.5 | Very high | 92 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 4% | 0.044 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 130.2 | 168.4 | -176.4 | -85.9 | -65.1 | 0 | 0 | 109.6 | F111 K112 Y131 A142 | F111-M140 CarbonylContact C-O 3.43Å; F111-M140 WeakPolarHBondContact CA-O 3.26Å; K112-M140 HydrophobicContact CB-CE 4.12Å; K112-M140 HydrophobicContact CD-CE 3.68Å; K112-M140 HydrophobicContact CG-CE 3.97Å; K112-M140 PolarHBondContact N-O 3.46Å; K112-M140 PolarHBondContact O-N 3.14Å; Y131-M140 HydrophobicContact CD1-CB 3.64Å; Y131-M140 HydrophobicContact CD1-CG 3.56Å; Y131-M140 HydrophobicContact CD2-CG 4.2Å; Y131-M140 HydrophobicContact CE1-CB 4.09Å; Y131-M140 HydrophobicContact CE1-CG 4.16Å; Y131-M140 HydrophobicContact CG-CB 4.19Å; Y131-M140 HydrophobicContact CG-CG 3.59Å; M140-A142 PolarHBondContact O-N 3.24Å; M140-A142 VanDerWaalsContact O-N 3.14Å |
| 141 | L | 96.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 107.9 | 178.9 | -176.7 | 67.6 | 0 | 0 | 0 | 110.9 | F111 I144 F161 G162 L165 C174 | F111-L141 HydrophobicContact CD1-CB 4.34Å; F111-L141 HydrophobicContact CD1-CD1 4.2Å; F111-L141 HydrophobicContact CE1-CB 4.07Å; F111-L141 HydrophobicContact CE1-CD1 3.76Å; F111-L141 HydrophobicContact CZ-CD1 3.93Å; L141-I144 HydrophobicContact CD1-CB 4.21Å; L141-I144 HydrophobicContact CD2-CB 4.38Å; L141-I144 HydrophobicContact CD2-CG2 4.05Å; L141-F161 HydrophobicContact CD2-CD1 3.97Å; L141-F161 HydrophobicContact CD2-CE1 3.97Å; L141-G162 WeakPolarHBondContact O-CA 3.33Å; L141-L165 HydrophobicContact CB-CD1 4.41Å; L141-L165 HydrophobicContact CD2-CD1 3.89Å; L141-C174 HydrophobicContact CD2-CB 4.17Å |
| 142 | A | 94.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -31.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A20 D110 K112 M140 N158 K159 | A20-A142 HydrophobicContact CB-CB 3.94Å; D110-A142 HydrophobicContact CB-CB 4.15Å; D110-A142 WeakPolarHBondContact O-CB 3.33Å; D110-A142 PolarHBondContact O-N 2.97Å; D110-A142 VanDerWaalsContact OD1-CB 3.28Å; D110-A142 WeakPolarHBondContact OD1-CB 3.26Å; K112-A142 HydrophobicContact CG-CB 4.02Å; M140-A142 PolarHBondContact O-N 3.24Å; M140-A142 VanDerWaalsContact O-N 3.14Å; A142-N158 CarbonylContact O-C 3.46Å; A142-K159 WeakPolarHBondContact O-CA 3.47Å; A142-K159 PolarHBondContact O-N 3.3Å |
| 143 | G | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 155.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V19 D110 L157 | V19-G143 WeakPolarHBondContact O-CA 3.23Å; D110-G143 PolarHBondContact N-O 3.41Å; D110-G143 PolarHBondContact O-N 3.36Å; G143-L157 CarbonylContact C-O 3.58Å; G143-L157 VanDerWaalsContact CA-O 3.28Å; G143-L157 WeakPolarHBondContact CA-O 3.08Å |
| 144 | I | 96.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.9 | 179.7 | -176.1 | 168.8 | 0 | 0 | 0 | 109.8 | I108 C109 L141 I146 K156 L157 F178 | I108-I144 CarbonylContact O-C 3.5Å; I108-I144 VanDerWaalsContact O-CA 3.31Å; I108-I144 WeakPolarHBondContact O-CA 3.42Å; C109-I144 WeakPolarHBondContact SG-CD1 3.5Å; C109-I144 VanDerWaalsContact SG-CG1 3.5Å; L141-I144 HydrophobicContact CD1-CB 4.21Å; L141-I144 HydrophobicContact CD2-CB 4.38Å; L141-I144 HydrophobicContact CD2-CG2 4.05Å; I144-I146 HydrophobicContact CD1-CD1 3.65Å; I144-I146 HydrophobicContact CD1-CG1 3.77Å; I144-I146 HydrophobicContact CG1-CD1 4.2Å; I144-I146 HydrophobicContact CG1-CG1 3.77Å; I144-K156 VanDerWaalsContact O-CA 3.31Å; I144-K156 WeakPolarHBondContact O-CA 3.49Å; I144-L157 HydrophobicContact CG2-CB 3.56Å; I144-L157 HydrophobicContact CG2-CD1 4.18Å; I144-L157 HydrophobicContact CG2-CG 4.11Å; I144-L157 PolarHBondContact N-O 2.9Å; I144-L157 PolarHBondContact O-N 3.08Å; I144-F178 HydrophobicContact CD1-CB 4.12Å; I144-F178 HydrophobicContact CD1-CD2 4.4Å |
| 145 | Q | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125 | 168.1 | 177.8 | -174.6 | -71.2 | 0 | 0 | 108.1 | V19 P106 N107 I108 L154 I155 K156 | V19-Q145 HydrophobicContact CG1-CB 3.48Å; V19-Q145 VanDerWaalsContact CG1-CB 3.48Å; P106-Q145 PolarHBondContact O-NE2 2.86Å; N107-Q145 CarbonylContact C-O 3.54Å; N107-Q145 WeakPolarHBondContact CA-O 3.05Å; I108-Q145 HydrophobicContact CB-CB 4.4Å; I108-Q145 PolarHBondContact N-O 3.38Å; I108-Q145 PolarHBondContact O-N 2.91Å; Q145-L154 HydrophobicContact CG-CD2 4.25Å; Q145-I155 CarbonylContact C-O 3.6Å; Q145-I155 VanDerWaalsContact CA-O 3.3Å; Q145-I155 WeakPolarHBondContact CA-O 3.34Å; Q145-K156 HydrophobicContact CB-CG 4.27Å; Q145-K156 HydrophobicContact CG-CG 4.19Å |
| 146 | I | 95.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132 | 174.6 | -51.2 | 177.5 | 0 | 0 | 0 | 107.6 | N107 I144 I155 P177 | N107-I146 WeakPolarHBondContact OD1-CA 3.32Å; I144-I146 HydrophobicContact CD1-CD1 3.65Å; I144-I146 HydrophobicContact CD1-CG1 3.77Å; I144-I146 HydrophobicContact CG1-CD1 4.2Å; I144-I146 HydrophobicContact CG1-CG1 3.77Å; I146-I155 PolarHBondContact N-O 3.43Å; I146-I155 PolarHBondContact O-N 2.94Å; I146-P177 HydrophobicContact CD1-CB 3.96Å |
| 147 | S | 90.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.2 | 166.5 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | Q105 N107 P149 S225 | Q105-S147 WeakPolarHBondContact CG-OG 3.35Å; Q105-S147 PolarHBondContact NE2-OG 3.45Å; Q105-S147 PolarHBondContact OE1-OG 2.94Å; N107-S147 PolarHBondContact OD1-N 3.3Å; S147-P149 VanDerWaalsContact O-CD 3.29Å; S147-P149 WeakPolarHBondContact O-CD 3.43Å; S147-S225 WeakPolarHBondContact CB-OG 3.37Å |
| 148 | D | 85.7 | Confident | 90.8 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 102.9 | 166.9 | -174.1 | -22.7 | 0 | 0 | 0 | 108.5 | V150 N151 H152 C153 I155 | D148-V150 PolarHBondContact O-N 2.82Å; D148-V150 WeakPolarHBondContact OD1-CA 3.22Å; D148-V150 WeakPolarHBondContact OD1-CB 3.37Å; D148-V150 PolarHBondContact OD1-N 2.82Å; D148-N151 HydrophobicContact CB-CB 4.48Å; D148-N151 PolarHBondContact OD1-N 2.93Å; D148-N151 PolarHBondContact OD2-ND2 3.25Å; D148-H152 VanDerWaalsContact O-CA 3.3Å; D148-H152 WeakPolarHBondContact O-CA 3.07Å; D148-H152 PolarHBondContact O-N 3.04Å; D148-C153 PolarHBondContact N-O 2.87Å; D148-C153 PolarHBondContact O-N 3.38Å; D148-I155 HydrophobicContact CB-CD1 4.22Å; D148-I155 HydrophobicContact CB-CG1 4.45Å |
| 149 | P | 80.1 | Confident | 90.5 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 29% | 0.292 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -20.6 | -179.2 | 30.7 | -35.9 | 0 | 0 | 0 | 112.5 | S147 H152 I228 | S147-P149 VanDerWaalsContact O-CD 3.29Å; S147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-H152 PolarHBondContact O-CE1 3.26Å; P149-H152 PolarHBondContact O-ND1 3.45Å; P149-H152 VanDerWaalsContact O-ND1 3.08Å; P149-I228 HydrophobicContact CB-CD1 3.85Å; P149-I228 HydrophobicContact CB-CG1 4.18Å; P149-I228 HydrophobicContact CG-CD1 4.28Å |
| 150 | V | 79.7 | Confident | 90.3 | Very high | 91 Ų | 91 | 33.6 Ų | 33.6 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -47 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | D148 | D148-V150 PolarHBondContact O-N 2.82Å; D148-V150 WeakPolarHBondContact OD1-CA 3.22Å; D148-V150 WeakPolarHBondContact OD1-CB 3.37Å; D148-V150 PolarHBondContact OD1-N 2.82Å |
| 151 | N | 80.9 | Confident | 90.2 | Very high | 97 Ų | 97 | 34 Ų | 34 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 1.7 | -179.8 | -64.2 | -59.4 | 0 | 0 | 0 | 113.2 | D148 C153 | D148-N151 HydrophobicContact CB-CB 4.48Å; D148-N151 PolarHBondContact OD1-N 2.93Å; D148-N151 PolarHBondContact OD2-ND2 3.25Å; N151-C153 HydrophobicContact CB-CB 4.44Å; N151-C153 PolarHBondContact O-N 3.31Å |
| 152 | H | 82 | Confident | 90.1 | Very high | 126 Ų | 126 | 33.9 Ų | 33.9 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39.6 | -177.2 | -56.9 | -51.7 | 0 | 0 | 0 | 112.9 | D148 P149 | D148-H152 VanDerWaalsContact O-CA 3.3Å; D148-H152 WeakPolarHBondContact O-CA 3.07Å; D148-H152 PolarHBondContact O-N 3.04Å; P149-H152 PolarHBondContact O-CE1 3.26Å; P149-H152 PolarHBondContact O-ND1 3.45Å; P149-H152 VanDerWaalsContact O-ND1 3.08Å |
| 153 | C | 85.7 | Confident | 90 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 165 | -171.8 | 82.3 | 0 | 0 | 0 | 0 | 111.6 | D148 N151 T241 | D148-C153 PolarHBondContact N-O 2.87Å; D148-C153 PolarHBondContact O-N 3.38Å; N151-C153 HydrophobicContact CB-CB 4.44Å; N151-C153 PolarHBondContact O-N 3.31Å; C153-T241 VanDerWaalsContact CB-O 3.28Å; C153-T241 WeakPolarHBondContact CB-O 3.22Å |
| 154 | L | 88.2 | Confident | 90 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.7 | 173.4 | -67.8 | 177.1 | 0 | 0 | 0 | 108.7 | Q145 T241 I243 | Q145-L154 HydrophobicContact CG-CD2 4.25Å; L154-T241 PolarHBondContact N-O 3.3Å; L154-T241 VanDerWaalsContact N-O 3.17Å; L154-I243 PolarHBondContact O-N 2.83Å |
| 155 | I | 91.2 | Very high | 89.9 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.4 | 172.2 | -59.5 | 173 | 0 | 0 | 0 | 107.2 | Q145 I146 D148 L157 | Q145-I155 CarbonylContact C-O 3.6Å; Q145-I155 VanDerWaalsContact CA-O 3.3Å; Q145-I155 WeakPolarHBondContact CA-O 3.34Å; I146-I155 PolarHBondContact N-O 3.43Å; I146-I155 PolarHBondContact O-N 2.94Å; D148-I155 HydrophobicContact CB-CD1 4.22Å; D148-I155 HydrophobicContact CB-CG1 4.45Å; I155-L157 HydrophobicContact CG2-CD2 4.46Å; I155-L157 HydrophobicContact CG2-CG 4.27Å |
| 156 | K | 93.2 | Very high | 90 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 18% | 0.183 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.2 | 175.5 | -67.5 | -168.4 | 179.7 | -162 | 0 | 110.5 | A16 I144 Q145 T242 I243 | A16-K156 PolarHBondContact O-NZ 3.42Å; I144-K156 VanDerWaalsContact O-CA 3.31Å; I144-K156 WeakPolarHBondContact O-CA 3.49Å; Q145-K156 HydrophobicContact CB-CG 4.27Å; Q145-K156 HydrophobicContact CG-CG 4.19Å; K156-T242 HydrophobicContact CB-CG2 4.32Å; K156-T242 HydrophobicContact CD-CG2 3.94Å; K156-T242 HydrophobicContact CG-CG2 4.1Å; K156-I243 PolarHBondContact N-O 3.38Å; K156-I243 VanDerWaalsContact N-O 3.15Å |
| 157 | L | 93.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.5 | 174 | -48.6 | 169.2 | 0 | 0 | 0 | 109.1 | G143 I144 I155 F161 A245 I261 | G143-L157 CarbonylContact C-O 3.58Å; G143-L157 VanDerWaalsContact CA-O 3.28Å; G143-L157 WeakPolarHBondContact CA-O 3.08Å; I144-L157 HydrophobicContact CG2-CB 3.56Å; I144-L157 HydrophobicContact CG2-CD1 4.18Å; I144-L157 HydrophobicContact CG2-CG 4.11Å; I144-L157 PolarHBondContact N-O 2.9Å; I144-L157 PolarHBondContact O-N 3.08Å; I155-L157 HydrophobicContact CG2-CD2 4.46Å; I155-L157 HydrophobicContact CG2-CG 4.27Å; L157-F161 HydrophobicContact CB-CB 4.04Å; L157-F161 HydrophobicContact CB-CD1 3.58Å; L157-F161 HydrophobicContact CB-CE1 4.22Å; L157-F161 HydrophobicContact CB-CG 3.9Å; L157-F161 HydrophobicContact CD1-CD1 3.62Å; L157-F161 HydrophobicContact CD1-CD2 4.27Å; L157-F161 HydrophobicContact CD1-CE1 3.4Å; L157-F161 VanDerWaalsContact CD1-CE1 3.4Å; L157-F161 HydrophobicContact CD1-CE2 4.09Å; L157-F161 HydrophobicContact CD1-CG 4.04Å; L157-F161 HydrophobicContact CD1-CZ 3.64Å; L157-F161 HydrophobicContact CG-CD1 4.18Å; L157-F161 HydrophobicContact CG-CE1 4.42Å; L157-F161 HydrophobicContact CG-CG 4.42Å; L157-A245 HydrophobicContact CD2-CB 3.72Å; L157-I261 HydrophobicContact CD1-CD1 4.26Å |
| 158 | N | 91.8 | Very high | 90.4 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -175 | -170 | 66.9 | 29.8 | 0 | 0 | 0 | 112.1 | A142 A160 F161 G162 D246 | A142-N158 CarbonylContact O-C 3.46Å; N158-A160 PolarHBondContact O-N 2.81Å; N158-A160 VanDerWaalsContact O-N 3.11Å; N158-A160 WeakPolarHBondContact OD1-CA 3.33Å; N158-A160 WeakPolarHBondContact OD1-CB 3.16Å; N158-A160 PolarHBondContact OD1-N 3.14Å; N158-F161 WeakPolarHBondContact O-CB 3.4Å; N158-F161 PolarHBondContact O-N 3.41Å; N158-F161 VanDerWaalsContact O-N 3.14Å; N158-G162 PolarHBondContact O-N 2.82Å; N158-D246 PolarHBondContact ND2-OD1 2.68Å |
| 159 | K | 90.9 | Very high | 91 | Very high | 93 Ų | 93 | 49 Ų | 49 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56 | -26.1 | 178.1 | 71.3 | -170.6 | 178.9 | -166.9 | 0 | 114.3 | A142 R163 | A142-K159 WeakPolarHBondContact O-CA 3.47Å; A142-K159 PolarHBondContact O-N 3.3Å; K159-R163 WeakPolarHBondContact O-CB 3.38Å; K159-R163 WeakPolarHBondContact O-CD 3.31Å; K159-R163 WeakPolarHBondContact O-CG 3.35Å; K159-R163 PolarHBondContact O-N 3.1Å |
| 160 | A | 91.3 | Very high | 91.9 | Very high | 43 Ų | 43 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.7 | -46.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | N158 R163 | N158-A160 PolarHBondContact O-N 2.81Å; N158-A160 VanDerWaalsContact O-N 3.11Å; N158-A160 WeakPolarHBondContact OD1-CA 3.33Å; N158-A160 WeakPolarHBondContact OD1-CB 3.16Å; N158-A160 PolarHBondContact OD1-N 3.14Å; A160-R163 PolarHBondContact O-N 3.03Å |
| 161 | F | 93.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 170.2 | 171.7 | -104.1 | 0 | 0 | 0 | 111.6 | L141 L157 N158 R163 T164 L165 L173 I261 | L141-F161 HydrophobicContact CD2-CD1 3.97Å; L141-F161 HydrophobicContact CD2-CE1 3.97Å; L157-F161 HydrophobicContact CB-CB 4.04Å; L157-F161 HydrophobicContact CB-CD1 3.58Å; L157-F161 HydrophobicContact CB-CE1 4.22Å; L157-F161 HydrophobicContact CB-CG 3.9Å; L157-F161 HydrophobicContact CD1-CD1 3.62Å; L157-F161 HydrophobicContact CD1-CD2 4.27Å; L157-F161 HydrophobicContact CD1-CE1 3.4Å; L157-F161 VanDerWaalsContact CD1-CE1 3.4Å; L157-F161 HydrophobicContact CD1-CE2 4.09Å; L157-F161 HydrophobicContact CD1-CG 4.04Å; L157-F161 HydrophobicContact CD1-CZ 3.64Å; L157-F161 HydrophobicContact CG-CD1 4.18Å; L157-F161 HydrophobicContact CG-CE1 4.42Å; L157-F161 HydrophobicContact CG-CG 4.42Å; N158-F161 WeakPolarHBondContact O-CB 3.4Å; N158-F161 PolarHBondContact O-N 3.41Å; N158-F161 VanDerWaalsContact O-N 3.14Å; F161-R163 PolarHBondContact O-N 2.85Å; F161-R163 VanDerWaalsContact O-N 3.14Å; F161-T164 PolarHBondContact O-N 2.99Å; F161-T164 PolarHBondContact O-OG1 2.84Å; F161-L165 HydrophobicContact CD1-CD1 4.41Å; F161-L165 HydrophobicContact CE1-CD1 3.93Å; F161-L165 HydrophobicContact CE1-CD2 4.01Å; F161-L165 HydrophobicContact CE1-CG 4.34Å; F161-L165 HydrophobicContact CE2-CD2 3.95Å; F161-L165 HydrophobicContact CZ-CD1 4.38Å; F161-L165 HydrophobicContact CZ-CD2 3.63Å; F161-L165 HydrophobicContact CZ-CG 4.44Å; F161-L173 HydrophobicContact CZ-CB 4.29Å; F161-I261 HydrophobicContact CE2-CD1 3.77Å; F161-I261 HydrophobicContact CZ-CD1 4.15Å |
| 162 | G | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -29.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y131 L141 N158 T164 | Y131-G162 WeakPolarHBondContact CE2-O 3.18Å; L141-G162 WeakPolarHBondContact O-CA 3.33Å; N158-G162 PolarHBondContact O-N 2.82Å; G162-T164 VanDerWaalsContact C-N 3.31Å; G162-T164 PolarHBondContact O-N 2.7Å |
| 163 | R | 93.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.9 | -20.5 | 176.4 | -76.9 | 166.5 | -178.8 | -176.5 | -2.5 | 113.9 | Y131 K159 A160 F161 | Y131-R163 WeakPolarHBondContact CD2-O 3.21Å; K159-R163 WeakPolarHBondContact O-CB 3.38Å; K159-R163 WeakPolarHBondContact O-CD 3.31Å; K159-R163 WeakPolarHBondContact O-CG 3.35Å; K159-R163 PolarHBondContact O-N 3.1Å; A160-R163 PolarHBondContact O-N 3.03Å; F161-R163 PolarHBondContact O-N 2.85Å; F161-R163 VanDerWaalsContact O-N 3.14Å |
| 164 | T | 94.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 41% | 0.405 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -86.9 | -13.8 | 180 | 65 | 0 | 0 | 0 | 0 | 113.2 | F161 G162 T166 Q169 | F161-T164 PolarHBondContact O-N 2.99Å; F161-T164 PolarHBondContact O-OG1 2.84Å; G162-T164 VanDerWaalsContact C-N 3.31Å; G162-T164 PolarHBondContact O-N 2.7Å; T164-T166 PolarHBondContact O-N 3.33Å; T164-Q169 PolarHBondContact O-OE1 3.31Å |
| 165 | L | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -73.6 | 123.7 | -172.1 | -58.5 | 178.3 | 0 | 0 | 0 | 112.4 | Y131 W133 L141 F161 Q169 V170 L173 C174 | Y131-L165 WeakPolarHBondContact CE2-O 3.04Å; Y131-L165 PolarHBondContact OH-O 2.68Å; W133-L165 VanDerWaalsContact CD1-O 3.28Å; L141-L165 HydrophobicContact CB-CD1 4.41Å; L141-L165 HydrophobicContact CD2-CD1 3.89Å; F161-L165 HydrophobicContact CD1-CD1 4.41Å; F161-L165 HydrophobicContact CE1-CD1 3.93Å; F161-L165 HydrophobicContact CE1-CD2 4.01Å; F161-L165 HydrophobicContact CE1-CG 4.34Å; F161-L165 HydrophobicContact CE2-CD2 3.95Å; F161-L165 HydrophobicContact CZ-CD1 4.38Å; F161-L165 HydrophobicContact CZ-CD2 3.63Å; F161-L165 HydrophobicContact CZ-CG 4.44Å; L165-Q169 HydrophobicContact CB-CB 4.2Å; L165-Q169 HydrophobicContact CD2-CB 3.91Å; L165-V170 HydrophobicContact CB-CG2 3.83Å; L165-V170 HydrophobicContact CD1-CG2 4.3Å; L165-L173 HydrophobicContact CD2-CB 4.36Å; L165-L173 HydrophobicContact CD2-CD1 4.24Å; L165-C174 HydrophobicContact CD1-CB 4.24Å | ||
| 166 | T | 97.2 | Very high | 95.5 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | trans | -70.5 | 165 | 163.3 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | W133 T164 E168 Q169 V170 | W133-T166 HydrophobicContact CZ2-CG2 4.39Å; T164-T166 PolarHBondContact O-N 3.33Å; T166-E168 PolarHBondContact O-N 3.31Å; T166-Q169 PolarHBondContact O-N 2.85Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.48Å; T166-Q169 PolarHBondContact OG1-N 3.43Å; T166-Q169 PolarHBondContact OG1-OE1 3.14Å; T166-V170 WeakPolarHBondContact O-CG2 3.21Å; T166-V170 PolarHBondContact O-N 3.34Å | ||
| 167 | P | 97.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 21% | 0.208 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -48.2 | -44.1 | 174.4 | -33.5 | 38.6 | 0 | 0 | 0 | 114.1 | W133 E136 L137 V170 | W133-P167 HydrophobicContact CB-CG 4.43Å; W133-P167 VanDerWaalsContact CD2-CD 3.47Å; W133-P167 HydrophobicContact CD2-CG 3.98Å; W133-P167 HydrophobicContact CE3-CG 3.78Å; W133-P167 HydrophobicContact CG-CG 4.27Å; W133-P167 HydrophobicContact CZ3-CG 4.32Å; E136-P167 WeakPolarHBondContact OE1-CG 2.95Å; L137-P167 HydrophobicContact CD1-CB 4.47Å; L137-P167 HydrophobicContact CD1-CG 4.22Å; L137-P167 HydrophobicContact CD2-CB 3.95Å; L137-P167 HydrophobicContact CD2-CG 4.18Å; L137-P167 HydrophobicContact CG-CG 4.3Å; P167-V170 PolarHBondContact O-N 3.25Å |
| 168 | E | 97.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 38 Ų | 38 | 42% | 0.421 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.5 | -34.6 | 178.4 | -175.8 | 54.2 | -147.4 | 0 | 0 | 112.6 | T166 Y171 S172 R336 | T166-E168 PolarHBondContact O-N 3.31Å; E168-Y171 PolarHBondContact O-N 2.86Å; E168-S172 PolarHBondContact O-N 3.3Å; E168-S172 PolarHBondContact O-OG 2.98Å; E168-R336 IonicContact OE1-CZ 3.39Å; E168-R336 IonicContact OE1-NH1 3.03Å; E168-R336 PolarHBondContact OE1-NH1 2.88Å; E168-R336 IonicContact OE1-NH2 3.9Å; E168-R336 PolarHBondContact OE1-NH2 3.24Å; E168-R336 IonicContact OE2-CZ 2.72Å; E168-R336 IonicContact OE2-NH1 2.86Å; E168-R336 PolarHBondContact OE2-NH1 2.81Å; E168-R336 IonicContact OE2-NH2 3.29Å; E168-R336 PolarHBondContact OE2-NH2 3.28Å |
| 169 | Q | 98 | Very high | 96 | Very high | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -72.6 | -28.6 | 177.1 | -73 | 173.7 | -28.6 | 0 | 0 | 112.8 | T164 L165 T166 Y171 S172 L173 | T164-Q169 PolarHBondContact O-OE1 3.31Å; L165-Q169 HydrophobicContact CB-CB 4.2Å; L165-Q169 HydrophobicContact CD2-CB 3.91Å; T166-Q169 PolarHBondContact O-N 2.85Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.48Å; T166-Q169 PolarHBondContact OG1-N 3.43Å; T166-Q169 PolarHBondContact OG1-OE1 3.14Å; Q169-Y171 PolarHBondContact O-N 3.06Å; Q169-S172 WeakPolarHBondContact CA-OG 3.46Å; Q169-S172 PolarHBondContact O-N 3.21Å; Q169-L173 HydrophobicContact CB-CD1 4.06Å; Q169-L173 HydrophobicContact CB-CG 4.32Å; Q169-L173 HydrophobicContact CG-CD1 3.93Å; Q169-L173 HydrophobicContact CG-CG 4.41Å; Q169-L173 WeakPolarHBondContact O-CA 3.12Å; Q169-L173 WeakPolarHBondContact O-CB 3.48Å; Q169-L173 PolarHBondContact O-N 3.47Å |
| 170 | V | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -59.4 | -38.9 | 170.5 | 174 | 0 | 0 | 0 | 0 | 110.4 | L137 I139 L165 T166 P167 C174 V175 L333 | L137-V170 HydrophobicContact CD1-CG2 4.07Å; I139-V170 HydrophobicContact CD1-CG1 4.21Å; L165-V170 HydrophobicContact CB-CG2 3.83Å; L165-V170 HydrophobicContact CD1-CG2 4.3Å; T166-V170 WeakPolarHBondContact O-CG2 3.21Å; T166-V170 PolarHBondContact O-N 3.34Å; P167-V170 PolarHBondContact O-N 3.25Å; V170-C174 VanDerWaalsContact O-CB 3.27Å; V170-C174 WeakPolarHBondContact O-CB 3.47Å; V170-V175 PolarHBondContact O-N 3.29Å; V170-L333 HydrophobicContact CG1-CD1 3.82Å |
| 171 | Y | 98 | Very high | 96 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -70.1 | -60.3 | 172.8 | 175.4 | -103.7 | 0 | 0 | 0 | 111.9 | E168 Q169 V175 K176 L333 R336 V337 T340 | E168-Y171 PolarHBondContact O-N 2.86Å; Q169-Y171 PolarHBondContact O-N 3.06Å; Y171-V175 PolarHBondContact O-N 2.9Å; Y171-K176 WeakPolarHBondContact O-CB 3.33Å; Y171-K176 PolarHBondContact O-N 2.84Å; Y171-L333 HydrophobicContact CD2-CD2 4.22Å; Y171-L333 HydrophobicContact CG-CD2 4.47Å; Y171-R336 HydrophobicContact CD2-CB 4.3Å; Y171-R336 HydrophobicContact CD2-CG 4.08Å; Y171-R336 HydrophobicContact CE1-CG 4.46Å; Y171-R336 HydrophobicContact CE2-CB 3.87Å; Y171-R336 HydrophobicContact CE2-CG 3.56Å; Y171-V337 HydrophobicContact CE2-CG2 3.67Å; Y171-T340 PolarHBondContact OH-OG1 2.85Å |
| 172 | S | 96.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -74.5 | -31.6 | -166.6 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | E168 Q169 P177 | E168-S172 PolarHBondContact O-N 3.3Å; E168-S172 PolarHBondContact O-OG 2.98Å; Q169-S172 WeakPolarHBondContact CA-OG 3.46Å; Q169-S172 PolarHBondContact O-N 3.21Å; S172-P177 VanDerWaalsContact O-CD 3.25Å; S172-P177 WeakPolarHBondContact O-CD 3.13Å; S172-P177 WeakPolarHBondContact O-CG 3.37Å |
| 173 | L | 96.5 | Very high | 95.8 | Very high | 65 Ų | 65 | 41 Ų | 41 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -106.5 | -11.3 | -177 | -56.6 | -177.3 | 0 | 0 | 0 | 113.9 | F161 L165 Q169 | F161-L173 HydrophobicContact CZ-CB 4.29Å; L165-L173 HydrophobicContact CD2-CB 4.36Å; L165-L173 HydrophobicContact CD2-CD1 4.24Å; Q169-L173 HydrophobicContact CB-CD1 4.06Å; Q169-L173 HydrophobicContact CB-CG 4.32Å; Q169-L173 HydrophobicContact CG-CD1 3.93Å; Q169-L173 HydrophobicContact CG-CG 4.41Å; Q169-L173 WeakPolarHBondContact O-CA 3.12Å; Q169-L173 WeakPolarHBondContact O-CB 3.48Å; Q169-L173 PolarHBondContact O-N 3.47Å |
| 174 | C | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -120.9 | -70.9 | 179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | L141 L165 V170 K176 P177 F178 | L141-C174 HydrophobicContact CD2-CB 4.17Å; L165-C174 HydrophobicContact CD1-CB 4.24Å; V170-C174 VanDerWaalsContact O-CB 3.27Å; V170-C174 WeakPolarHBondContact O-CB 3.47Å; C174-K176 PolarHBondContact O-N 2.9Å; C174-P177 WeakPolarHBondContact O-CD 3.46Å; C174-F178 WeakPolarHBondContact O-CB 3.44Å; C174-F178 PolarHBondContact O-N 2.83Å |
| 175 | V | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -61.7 | -47.7 | -172 | 174 | 0 | 0 | 0 | 0 | 112.1 | V170 Y171 F178 L179 L333 M334 V337 | V170-V175 PolarHBondContact O-N 3.29Å; Y171-V175 PolarHBondContact O-N 2.9Å; V175-F178 WeakPolarHBondContact O-CB 3.38Å; V175-F178 PolarHBondContact O-N 3.48Å; V175-L179 HydrophobicContact CG1-CD1 4.38Å; V175-L179 WeakPolarHBondContact O-CG 3.38Å; V175-L179 PolarHBondContact O-N 3.06Å; V175-L333 HydrophobicContact CG1-CB 4.37Å; V175-L333 HydrophobicContact CG2-CB 4.15Å; V175-L333 HydrophobicContact CG2-CD1 4.12Å; V175-M334 HydrophobicContact CG1-CE 4.39Å; V175-M334 HydrophobicContact CG1-SD 3.99Å; V175-V337 HydrophobicContact CG1-CG2 4.06Å |
| 176 | K | 96.3 | Very high | 95.8 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -51.1 | -179.5 | 176.9 | 170.5 | -171.9 | 158.2 | 0 | 112.1 | Y171 C174 F178 L179 E341 | Y171-K176 WeakPolarHBondContact O-CB 3.33Å; Y171-K176 PolarHBondContact O-N 2.84Å; C174-K176 PolarHBondContact O-N 2.9Å; K176-F178 VanDerWaalsContact C-N 3.31Å; K176-F178 PolarHBondContact O-N 3.17Å; K176-L179 PolarHBondContact O-N 2.9Å; K176-E341 VanDerWaalsContact CE-OE1 3.27Å; K176-E341 WeakPolarHBondContact CE-OE1 3.24Å; K176-E341 IonicContact NZ-OE1 2.72Å; K176-E341 PolarHBondContact NZ-OE1 2.87Å |
| 177 | P | 95.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 16% | 0.156 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -35.2 | 175.4 | -27.4 | 36.9 | 0 | 0 | 0 | 114.4 | I146 S172 C174 L179 G180 I263 | I146-P177 HydrophobicContact CD1-CB 3.96Å; S172-P177 VanDerWaalsContact O-CD 3.25Å; S172-P177 WeakPolarHBondContact O-CD 3.13Å; S172-P177 WeakPolarHBondContact O-CG 3.37Å; C174-P177 WeakPolarHBondContact O-CD 3.46Å; P177-L179 VanDerWaalsContact C-N 3.31Å; P177-L179 PolarHBondContact O-N 2.9Å; P177-G180 PolarHBondContact O-N 3.32Å; P177-G180 VanDerWaalsContact O-N 3.08Å; P177-I263 HydrophobicContact CB-CD1 3.67Å; P177-I263 HydrophobicContact CG-CD1 4.02Å |
| 178 | F | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -44.3 | 177.7 | 170.9 | -115.3 | 0 | 0 | 0 | 112.1 | N107 C109 I144 C174 V175 K176 G180 Y193 L221 H223 | N107-F178 HydrophobicContact CB-CD2 4.02Å; N107-F178 HydrophobicContact CB-CE2 3.77Å; N107-F178 PolarHBondContact ND2-O 3.12Å; C109-F178 HydrophobicContact CB-CD2 4.26Å; C109-F178 HydrophobicContact CB-CE2 3.95Å; C109-F178 HydrophobicContact CB-CZ 4.09Å; C109-F178 WeakPolarHBondContact SG-CD2 3.36Å; C109-F178 VanDerWaalsContact SG-CG 3.52Å; I144-F178 HydrophobicContact CD1-CB 4.12Å; I144-F178 HydrophobicContact CD1-CD2 4.4Å; C174-F178 WeakPolarHBondContact O-CB 3.44Å; C174-F178 PolarHBondContact O-N 2.83Å; V175-F178 WeakPolarHBondContact O-CB 3.38Å; V175-F178 PolarHBondContact O-N 3.48Å; K176-F178 VanDerWaalsContact C-N 3.31Å; K176-F178 PolarHBondContact O-N 3.17Å; F178-G180 PolarHBondContact O-N 3.42Å; F178-Y193 AromaticContact CE1-CE2 3.7Å; F178-Y193 HydrophobicContact CE1-CE2 3.7Å; F178-Y193 AromaticContact CE1-CZ 3.76Å; F178-Y193 HydrophobicContact CZ-CE2 4.37Å; F178-Y193 WeakPolarHBondContact CZ-OH 3.46Å; F178-L221 HydrophobicContact CE1-CB 4.12Å; F178-L221 HydrophobicContact CE1-CD2 4.38Å; F178-L221 HydrophobicContact CZ-CB 3.9Å; F178-H223 AromaticContact CE1-CD2 3.84Å; F178-H223 AromaticContact CE2-CD2 3.97Å; F178-H223 AromaticContact CZ-CD2 3.57Å; F178-H223 PolarHBondContact O-NE2 3.43Å |
| 179 | L | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.4 | 179.7 | -60.1 | 174.5 | 0 | 0 | 0 | 113.7 | V175 K176 P177 L189 A190 Y193 M334 V337 | V175-L179 HydrophobicContact CG1-CD1 4.38Å; V175-L179 WeakPolarHBondContact O-CG 3.38Å; V175-L179 PolarHBondContact O-N 3.06Å; K176-L179 PolarHBondContact O-N 2.9Å; P177-L179 VanDerWaalsContact C-N 3.31Å; P177-L179 PolarHBondContact O-N 2.9Å; L179-L189 HydrophobicContact CB-CD1 4.46Å; L179-L189 HydrophobicContact CD2-CB 3.84Å; L179-L189 HydrophobicContact CD2-CD1 4.31Å; L179-L189 WeakPolarHBondContact O-CD1 3.49Å; L179-A190 HydrophobicContact CD1-CB 4.06Å; L179-Y193 HydrophobicContact CD2-CD2 3.72Å; L179-Y193 HydrophobicContact CD2-CE2 3.63Å; L179-M334 HydrophobicContact CD1-SD 4.03Å; L179-M334 HydrophobicContact CD2-SD 4.3Å; L179-V337 HydrophobicContact CD1-CB 4.15Å; L179-V337 HydrophobicContact CD1-CG1 3.85Å; L179-V337 HydrophobicContact CD1-CG2 3.8Å |
| 180 | G | 93.2 | Very high | 95.8 | Very high | 30 Ų | 30 | 34.2 Ų | 34.2 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | trans | 87.2 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P177 F178 | P177-G180 PolarHBondContact O-N 3.32Å; P177-G180 VanDerWaalsContact O-N 3.08Å; F178-G180 PolarHBondContact O-N 3.42Å | ||
| 181 | A | 90.2 | Very high | 95.8 | Very high | 103 Ų | 103 | 38.5 Ų | 38.5 | 85% | 0.851 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -83.2 | -20.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R183 | A181-R183 PolarHBondContact O-N 2.62Š|
| 182 | D | 92 | Very high | 95.9 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | trans | -70.8 | 119.6 | 179.2 | -177 | -92.6 | 0 | 0 | 0 | 110.5 | T184 Y185 S186 L226 | D182-T184 PolarHBondContact OD1-N 2.91Å; D182-Y185 WeakPolarHBondContact OD1-CB 3.41Å; D182-Y185 PolarHBondContact OD1-N 3.42Å; D182-S186 WeakPolarHBondContact O-CB 3.4Å; D182-S186 PolarHBondContact O-N 2.88Å; D182-S186 PolarHBondContact O-OG 2.9Å; D182-L226 HydrophobicContact CB-CD2 3.8Å | ||
| 183 | R | 91.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.8 | -52.8 | -176.5 | 165.5 | 166.6 | -70.2 | 157 | 1.1 | 111.9 | A181 Y185 S186 I187 E341 A344 | A181-R183 PolarHBondContact O-N 2.62Å; R183-Y185 VanDerWaalsContact C-N 3.34Å; R183-Y185 PolarHBondContact O-N 2.99Å; R183-S186 PolarHBondContact O-N 3.49Å; R183-S186 PolarHBondContact O-OG 3.49Å; R183-I187 HydrophobicContact CG-CD1 3.87Å; R183-I187 VanDerWaalsContact O-CG1 3.29Å; R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 2.89Å; R183-E341 WeakPolarHBondContact CD-O 3.12Å; R183-E341 HydrophobicContact CG-CB 4.14Å; R183-E341 IonicContact CZ-OE2 2.99Å; R183-E341 VanDerWaalsContact CZ-OE2 3.29Å; R183-E341 PolarHBondContact NE-O 3.39Å; R183-E341 VanDerWaalsContact NE-O 3.16Å; R183-E341 IonicContact NE-OE2 2.82Å; R183-E341 PolarHBondContact NE-OE2 3.22Å; R183-E341 IonicContact NH2-OE2 3.17Å; R183-E341 PolarHBondContact NH2-OE2 3.23Å; R183-A344 PolarHBondContact NH1-O 3.44Å |
| 184 | T | 94.1 | Very high | 96 | Very high | 82 Ų | 82 | 35.4 Ų | 35.4 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.2 | -40.9 | -173.2 | -58.4 | 0 | 0 | 0 | 0 | 111 | D182 K188 | D182-T184 PolarHBondContact OD1-N 2.91Å; T184-K188 HydrophobicContact CG2-CD 4.45Å; T184-K188 VanDerWaalsContact O-CG 3.31Å; T184-K188 WeakPolarHBondContact O-CG 3.29Å; T184-K188 PolarHBondContact O-N 2.98Å |
| 185 | Y | 94.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.8 | -45.1 | 178.2 | -168.1 | -119.7 | 0 | 0 | 0 | 111.8 | D182 R183 I187 K188 L189 E224 L226 A283 | D182-Y185 WeakPolarHBondContact OD1-CB 3.41Å; D182-Y185 PolarHBondContact OD1-N 3.42Å; R183-Y185 VanDerWaalsContact C-N 3.34Å; R183-Y185 PolarHBondContact O-N 2.99Å; Y185-I187 VanDerWaalsContact C-N 3.33Å; Y185-I187 PolarHBondContact O-N 2.81Å; Y185-K188 PolarHBondContact O-N 3.15Å; Y185-K188 VanDerWaalsContact O-N 3.15Å; Y185-L189 HydrophobicContact CD1-CD1 3.61Å; Y185-L189 HydrophobicContact CD1-CG 4.15Å; Y185-L189 HydrophobicContact CE1-CD1 3.44Å; Y185-L189 VanDerWaalsContact CE1-CD1 3.44Å; Y185-L189 HydrophobicContact CE1-CD2 4.23Å; Y185-L189 HydrophobicContact CE1-CG 3.96Å; Y185-L189 HydrophobicContact CE2-CD2 4.45Å; Y185-L189 HydrophobicContact CE2-CG 4.4Å; Y185-L189 HydrophobicContact CG-CD1 4.35Å; Y185-L189 HydrophobicContact CG-CG 4.47Å; Y185-L189 WeakPolarHBondContact O-CB 3.31Å; Y185-L189 WeakPolarHBondContact O-CG 3.41Å; Y185-L189 PolarHBondContact O-N 3.12Å; Y185-E224 PolarHBondContact OH-O 3.02Å; Y185-E224 VanDerWaalsContact OH-O 3.06Å; Y185-L226 HydrophobicContact CD1-CB 4.03Å; Y185-L226 HydrophobicContact CD1-CD1 4.22Å; Y185-L226 HydrophobicContact CD2-CD1 4.17Å; Y185-L226 HydrophobicContact CE1-CB 4.1Å; Y185-L226 HydrophobicContact CE1-CD1 4.39Å; Y185-L226 HydrophobicContact CE2-CD1 4.37Å; Y185-L226 HydrophobicContact CG-CD1 4.1Å; Y185-A283 HydrophobicContact CD2-CB 4.31Å; Y185-A283 HydrophobicContact CE2-CB 3.96Å |
| 186 | S | 96 | Very high | 96.1 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | D182 R183 A190 | D182-S186 WeakPolarHBondContact O-CB 3.4Å; D182-S186 PolarHBondContact O-N 2.88Å; D182-S186 PolarHBondContact O-OG 2.9Å; R183-S186 PolarHBondContact O-N 3.49Å; R183-S186 PolarHBondContact O-OG 3.49Å; S186-A190 VanDerWaalsContact O-CB 3.3Å; S186-A190 WeakPolarHBondContact O-CB 3.38Å; S186-A190 PolarHBondContact O-N 2.78Å |
| 187 | I | 96.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 171.7 | -69.1 | 164 | 0 | 0 | 0 | 110.8 | R183 Y185 L189 A190 Q191 V338 E341 | R183-I187 HydrophobicContact CG-CD1 3.87Å; R183-I187 VanDerWaalsContact O-CG1 3.29Å; R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 2.89Å; Y185-I187 VanDerWaalsContact C-N 3.33Å; Y185-I187 PolarHBondContact O-N 2.81Å; I187-L189 VanDerWaalsContact C-N 3.35Å; I187-L189 PolarHBondContact O-N 3.17Å; I187-A190 PolarHBondContact O-N 3.46Å; I187-Q191 WeakPolarHBondContact O-CG 3.29Å; I187-Q191 PolarHBondContact O-N 3.33Å; I187-V338 HydrophobicContact CG2-CG1 4.41Å; I187-E341 HydrophobicContact CD1-CB 3.65Å; I187-E341 HydrophobicContact CG1-CB 3.62Å; I187-E341 HydrophobicContact CG1-CG 4.39Å |
| 188 | K | 97.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 38.1 Ų | 38.1 | 45% | 0.452 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -41.9 | -179.9 | -71.9 | 173.5 | 179 | 174.5 | 0 | 111.7 | T184 Y185 Q191 S192 A283 | T184-K188 HydrophobicContact CG2-CD 4.45Å; T184-K188 VanDerWaalsContact O-CG 3.31Å; T184-K188 WeakPolarHBondContact O-CG 3.29Å; T184-K188 PolarHBondContact O-N 2.98Å; Y185-K188 PolarHBondContact O-N 3.15Å; Y185-K188 VanDerWaalsContact O-N 3.15Å; K188-Q191 PolarHBondContact O-N 3.15Å; K188-S192 WeakPolarHBondContact O-CB 3.18Å; K188-S192 PolarHBondContact O-N 3.11Å; K188-A283 HydrophobicContact CB-CB 3.46Å; K188-A283 VanDerWaalsContact CB-CB 3.46Å |
| 189 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.4 | -71.8 | 173.2 | 0 | 0 | 0 | 111.3 | L179 Y185 I187 Q191 S192 Y193 H223 A283 T285 | L179-L189 HydrophobicContact CB-CD1 4.46Å; L179-L189 HydrophobicContact CD2-CB 3.84Å; L179-L189 HydrophobicContact CD2-CD1 4.31Å; L179-L189 WeakPolarHBondContact O-CD1 3.49Å; Y185-L189 HydrophobicContact CD1-CD1 3.61Å; Y185-L189 HydrophobicContact CD1-CG 4.15Å; Y185-L189 HydrophobicContact CE1-CD1 3.44Å; Y185-L189 VanDerWaalsContact CE1-CD1 3.44Å; Y185-L189 HydrophobicContact CE1-CD2 4.23Å; Y185-L189 HydrophobicContact CE1-CG 3.96Å; Y185-L189 HydrophobicContact CE2-CD2 4.45Å; Y185-L189 HydrophobicContact CE2-CG 4.4Å; Y185-L189 HydrophobicContact CG-CD1 4.35Å; Y185-L189 HydrophobicContact CG-CG 4.47Å; Y185-L189 WeakPolarHBondContact O-CB 3.31Å; Y185-L189 WeakPolarHBondContact O-CG 3.41Å; Y185-L189 PolarHBondContact O-N 3.12Å; I187-L189 VanDerWaalsContact C-N 3.35Å; I187-L189 PolarHBondContact O-N 3.17Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 2.78Å; L189-S192 WeakPolarHBondContact O-CB 3.4Å; L189-S192 PolarHBondContact O-N 3.45Å; L189-Y193 VanDerWaalsContact O-CD2 3.26Å; L189-Y193 WeakPolarHBondContact O-CD2 3.44Å; L189-Y193 PolarHBondContact O-N 2.71Å; L189-H223 VanDerWaalsContact CD1-CE1 3.42Å; L189-H223 WeakPolarHBondContact CD1-CE1 3.45Å; L189-H223 WeakPolarHBondContact CD1-ND1 3.49Å; L189-H223 HydrophobicContact CD2-CB 3.7Å; L189-A283 HydrophobicContact CD2-CB 3.9Å; L189-A283 HydrophobicContact CG-CB 4.13Å; L189-T285 HydrophobicContact CB-CG2 4.42Å; L189-T285 HydrophobicContact CD2-CG2 3.59Å |
| 190 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L179 S186 I187 S192 Y193 I194 M334 V337 V338 | L179-A190 HydrophobicContact CD1-CB 4.06Å; S186-A190 VanDerWaalsContact O-CB 3.3Å; S186-A190 WeakPolarHBondContact O-CB 3.38Å; S186-A190 PolarHBondContact O-N 2.78Å; I187-A190 PolarHBondContact O-N 3.46Å; A190-S192 PolarHBondContact O-N 3.45Å; A190-Y193 PolarHBondContact O-N 2.79Å; A190-I194 VanDerWaalsContact O-CG1 3.23Å; A190-I194 WeakPolarHBondContact O-CG1 3.49Å; A190-I194 PolarHBondContact O-N 3.36Å; A190-M334 HydrophobicContact CB-CB 4.35Å; A190-V337 HydrophobicContact CB-CB 4.12Å; A190-V337 HydrophobicContact CB-CG1 4.23Å; A190-V338 HydrophobicContact CB-CG2 3.75Å |
| 191 | Q | 98.1 | Very high | 96.8 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.1 | -71 | 173.4 | -18.3 | 0 | 0 | 112.5 | I187 K188 L189 I194 T195 V338 | I187-Q191 WeakPolarHBondContact O-CG 3.29Å; I187-Q191 PolarHBondContact O-N 3.33Å; K188-Q191 PolarHBondContact O-N 3.15Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 2.78Å; Q191-I194 PolarHBondContact O-N 2.66Å; Q191-T195 PolarHBondContact O-N 2.86Å; Q191-T195 VanDerWaalsContact O-N 3.12Å; Q191-T195 PolarHBondContact O-OG1 2.9Å; Q191-T195 VanDerWaalsContact O-OG1 3.06Å; Q191-V338 HydrophobicContact CG-CG2 3.92Å |
| 192 | S | 98.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 175.4 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | K188 L189 A190 I194 T195 Q196 A283 T285 | K188-S192 WeakPolarHBondContact O-CB 3.18Å; K188-S192 PolarHBondContact O-N 3.11Å; L189-S192 WeakPolarHBondContact O-CB 3.4Å; L189-S192 PolarHBondContact O-N 3.45Å; A190-S192 PolarHBondContact O-N 3.45Å; S192-I194 PolarHBondContact O-N 3Å; S192-T195 WeakPolarHBondContact O-CB 3.23Å; S192-T195 PolarHBondContact O-N 3.21Å; S192-T195 VanDerWaalsContact O-N 3.15Å; S192-Q196 WeakPolarHBondContact O-CG 3.26Å; S192-Q196 PolarHBondContact O-N 3.12Å; S192-A283 WeakPolarHBondContact CB-O 3.33Å; S192-A283 PolarHBondContact OG-O 3.43Å; S192-T285 WeakPolarHBondContact CB-OG1 3.39Å; S192-T285 PolarHBondContact OG-OG1 2.72Å |
| 193 | Y | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.6 | -81.9 | -57.1 | 0 | 0 | 0 | 113.4 | F178 L179 L189 A190 T195 Q196 L197 L221 I222 H223 T285 V287 M334 | F178-Y193 AromaticContact CE1-CE2 3.7Å; F178-Y193 HydrophobicContact CE1-CE2 3.7Å; F178-Y193 AromaticContact CE1-CZ 3.76Å; F178-Y193 HydrophobicContact CZ-CE2 4.37Å; F178-Y193 WeakPolarHBondContact CZ-OH 3.46Å; L179-Y193 HydrophobicContact CD2-CD2 3.72Å; L179-Y193 HydrophobicContact CD2-CE2 3.63Å; L189-Y193 VanDerWaalsContact O-CD2 3.26Å; L189-Y193 WeakPolarHBondContact O-CD2 3.44Å; L189-Y193 PolarHBondContact O-N 2.71Å; A190-Y193 PolarHBondContact O-N 2.79Å; Y193-T195 PolarHBondContact O-N 3.46Å; Y193-Q196 PolarHBondContact O-N 3.17Å; Y193-L197 VanDerWaalsContact O-CB 3.29Å; Y193-L197 WeakPolarHBondContact O-CB 3.44Å; Y193-L197 WeakPolarHBondContact O-CG 3.2Å; Y193-L197 PolarHBondContact O-N 3.22Å; Y193-L221 HydrophobicContact CD1-CD2 4.08Å; Y193-L221 HydrophobicContact CD1-CG 4.09Å; Y193-L221 HydrophobicContact CE1-CB 3.77Å; Y193-L221 HydrophobicContact CE1-CD2 4.07Å; Y193-L221 HydrophobicContact CE1-CG 3.8Å; Y193-I222 PolarHBondContact OH-N 2.53Å; Y193-I222 PolarHBondContact OH-O 3.25Å; Y193-H223 AromaticContact CE2-CD2 4Å; Y193-H223 WeakPolarHBondContact OH-CB 3.26Å; Y193-H223 PolarHBondContact OH-CD2 2.78Å; Y193-H223 VanDerWaalsContact OH-CD2 3.25Å; Y193-H223 PolarHBondContact OH-N 2.88Å; Y193-T285 HydrophobicContact CD1-CG2 4.18Å; Y193-T285 HydrophobicContact CD2-CG2 3.78Å; Y193-T285 HydrophobicContact CE1-CG2 3.99Å; Y193-T285 HydrophobicContact CE2-CG2 3.58Å; Y193-T285 HydrophobicContact CG-CG2 4.06Å; Y193-V287 HydrophobicContact CD1-CG2 3.61Å; Y193-V287 HydrophobicContact CE1-CG2 3.82Å; Y193-M334 HydrophobicContact CD2-CE 3.8Å; Y193-M334 HydrophobicContact CD2-SD 4.12Å; Y193-M334 HydrophobicContact CE2-CE 4.45Å; Y193-M334 HydrophobicContact CG-CE 3.87Å; Y193-M334 HydrophobicContact CG-SD 4.36Å |
| 194 | I | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.6 | -44.2 | 174.3 | -71.5 | 162.8 | 0 | 0 | 0 | 109.7 | A190 Q191 S192 N198 I331 M334 Q335 V338 | A190-I194 VanDerWaalsContact O-CG1 3.23Å; A190-I194 WeakPolarHBondContact O-CG1 3.49Å; A190-I194 PolarHBondContact O-N 3.36Å; Q191-I194 PolarHBondContact O-N 2.66Å; S192-I194 PolarHBondContact O-N 3Å; I194-N198 WeakPolarHBondContact CG2-ND2 3.48Å; I194-N198 VanDerWaalsContact O-CB 3.31Å; I194-N198 WeakPolarHBondContact O-CB 3.22Å; I194-N198 PolarHBondContact O-N 3Å; I194-N198 PolarHBondContact O-ND2 2.77Å; I194-I331 HydrophobicContact CG2-CG2 4.4Å; I194-M334 HydrophobicContact CD1-CB 4.06Å; I194-M334 HydrophobicContact CG1-CB 3.61Å; I194-Q335 HydrophobicContact CD1-CB 4.25Å; I194-V338 HydrophobicContact CD1-CG2 4.31Å |
| 195 | T | 98.4 | Very high | 97.7 | Very high | 85 Ų | 85 | 35.7 Ų | 35.7 | 52% | 0.521 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.3 | -48.8 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | Q191 S192 Y193 N198 R199 | Q191-T195 PolarHBondContact O-N 2.86Å; Q191-T195 VanDerWaalsContact O-N 3.12Å; Q191-T195 PolarHBondContact O-OG1 2.9Å; Q191-T195 VanDerWaalsContact O-OG1 3.06Å; S192-T195 WeakPolarHBondContact O-CB 3.23Å; S192-T195 PolarHBondContact O-N 3.21Å; S192-T195 VanDerWaalsContact O-N 3.15Å; Y193-T195 PolarHBondContact O-N 3.46Å; T195-N198 PolarHBondContact O-N 3.01Å; T195-R199 WeakPolarHBondContact O-CG 3.33Å; T195-R199 PolarHBondContact O-N 2.94Å; T195-R199 VanDerWaalsContact O-N 3.12Å |
| 196 | Q | 98.6 | Very high | 97.7 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | -179.1 | -63.9 | -73.4 | 73.5 | 0 | 0 | 112.4 | S192 Y193 N198 R199 I200 T285 V287 | S192-Q196 WeakPolarHBondContact O-CG 3.26Å; S192-Q196 PolarHBondContact O-N 3.12Å; Y193-Q196 PolarHBondContact O-N 3.17Å; Q196-N198 PolarHBondContact O-N 3.03Å; Q196-R199 WeakPolarHBondContact O-CB 3.31Å; Q196-R199 PolarHBondContact O-N 2.74Å; Q196-I200 PolarHBondContact O-N 3.33Å; Q196-T285 PolarHBondContact NE2-O 3.21Å; Q196-V287 HydrophobicContact CB-CB 4.12Å; Q196-V287 HydrophobicContact CB-CG2 3.56Å; Q196-V287 HydrophobicContact CG-CG2 4.33Å |
| 197 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.5 | -70.1 | 166.2 | 0 | 0 | 0 | 111.6 | Y193 R199 I200 L201 L219 V287 L327 L330 I331 M334 | Y193-L197 VanDerWaalsContact O-CB 3.29Å; Y193-L197 WeakPolarHBondContact O-CB 3.44Å; Y193-L197 WeakPolarHBondContact O-CG 3.2Å; Y193-L197 PolarHBondContact O-N 3.22Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 2.85Å; L197-I200 PolarHBondContact O-N 2.91Å; L197-L201 WeakPolarHBondContact O-CB 3.49Å; L197-L201 PolarHBondContact O-N 3.15Å; L197-L219 HydrophobicContact CD2-CD1 4.11Å; L197-V287 HydrophobicContact CD2-CG1 4.13Å; L197-L327 HydrophobicContact CD2-CD2 4.07Å; L197-L330 HydrophobicContact CD1-CB 3.84Å; L197-L330 HydrophobicContact CD2-CB 4.36Å; L197-L330 HydrophobicContact CD2-CD1 4.19Å; L197-I331 HydrophobicContact CB-CD1 4.06Å; L197-I331 HydrophobicContact CB-CG1 3.6Å; L197-I331 HydrophobicContact CD1-CG1 4.05Å; L197-I331 HydrophobicContact CG-CG1 4.46Å; L197-M334 HydrophobicContact CD1-CG 4.27Å |
| 198 | N | 98.7 | Very high | 97.6 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.4 | -34.6 | 174.9 | -84.3 | -61.4 | 0 | 0 | 0 | 112.4 | I194 T195 Q196 I200 L201 N202 | I194-N198 WeakPolarHBondContact CG2-ND2 3.48Å; I194-N198 VanDerWaalsContact O-CB 3.31Å; I194-N198 WeakPolarHBondContact O-CB 3.22Å; I194-N198 PolarHBondContact O-N 3Å; I194-N198 PolarHBondContact O-ND2 2.77Å; T195-N198 PolarHBondContact O-N 3.01Å; Q196-N198 PolarHBondContact O-N 3.03Å; N198-I200 VanDerWaalsContact C-N 3.35Å; N198-I200 PolarHBondContact O-N 2.96Å; N198-L201 PolarHBondContact O-N 3.48Å; N198-N202 VanDerWaalsContact O-CB 3.31Å; N198-N202 WeakPolarHBondContact O-CB 3.49Å; N198-N202 PolarHBondContact O-N 2.91Å; N198-N202 PolarHBondContact O-ND2 2.78Å |
| 199 | R | 98.6 | Very high | 97.4 | Very high | 110 Ų | 110 | 37.8 Ų | 37.8 | 42% | 0.415 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.4 | -44 | 174.3 | -68.9 | 169.3 | 63.1 | -168.9 | 0.6 | 111.7 | F76 T195 Q196 L197 W203 | F76-R199 HydrophobicContact CE1-CB 3.83Å; F76-R199 HydrophobicContact CZ-CB 3.98Å; T195-R199 WeakPolarHBondContact O-CG 3.33Å; T195-R199 PolarHBondContact O-N 2.94Å; T195-R199 VanDerWaalsContact O-N 3.12Å; Q196-R199 WeakPolarHBondContact O-CB 3.31Å; Q196-R199 PolarHBondContact O-N 2.74Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 2.85Å; R199-W203 WeakPolarHBondContact O-CB 3.41Å; R199-W203 PolarHBondContact O-N 2.87Å |
| 200 | I | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -43.8 | 176.9 | -61.5 | 175.6 | 0 | 0 | 0 | 110.4 | F76 Q196 L197 N198 W203 Y204 L219 V287 L289 L327 | F76-I200 HydrophobicContact CB-CG1 4.28Å; F76-I200 HydrophobicContact CD1-CD1 4.24Å; F76-I200 HydrophobicContact CD1-CG1 3.51Å; F76-I200 HydrophobicContact CD2-CG1 4.44Å; F76-I200 HydrophobicContact CE1-CG1 3.84Å; F76-I200 HydrophobicContact CG-CG1 3.84Å; F76-I200 HydrophobicContact CZ-CG1 4.44Å; Q196-I200 PolarHBondContact O-N 3.33Å; L197-I200 PolarHBondContact O-N 2.91Å; N198-I200 VanDerWaalsContact C-N 3.35Å; N198-I200 PolarHBondContact O-N 2.96Å; I200-W203 HydrophobicContact CG2-CE3 4.43Å; I200-W203 PolarHBondContact O-N 2.81Å; I200-Y204 VanDerWaalsContact O-CB 3.3Å; I200-Y204 WeakPolarHBondContact O-CB 3.45Å; I200-Y204 PolarHBondContact O-N 3.01Å; I200-L219 HydrophobicContact CD1-CD2 3.79Å; I200-V287 HydrophobicContact CD1-CB 4.1Å; I200-V287 HydrophobicContact CD1-CG1 3.52Å; I200-L289 HydrophobicContact CG2-CD1 3.99Å; I200-L289 HydrophobicContact CG2-CG 4.39Å; I200-L327 HydrophobicContact CB-CD2 4.33Å; I200-L327 HydrophobicContact CG2-CD1 4.19Å; I200-L327 HydrophobicContact CG2-CD2 4.09Å |
| 201 | L | 98.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.1 | 178.1 | 61.2 | 0 | 0 | 0 | 111.8 | L197 N198 Y204 V205 R324 L327 E328 I331 | L197-L201 WeakPolarHBondContact O-CB 3.49Å; L197-L201 PolarHBondContact O-N 3.15Å; N198-L201 PolarHBondContact O-N 3.48Å; L201-Y204 PolarHBondContact O-N 3.3Å; L201-V205 HydrophobicContact CD1-CG2 3.96Å; L201-V205 WeakPolarHBondContact O-CB 3.2Å; L201-V205 WeakPolarHBondContact O-CG2 3.48Å; L201-V205 PolarHBondContact O-N 2.8Å; L201-R324 HydrophobicContact CD1-CG 3.76Å; L201-L327 HydrophobicContact CB-CD1 4.18Å; L201-L327 HydrophobicContact CD1-CB 4.21Å; L201-L327 HydrophobicContact CD1-CD1 4.09Å; L201-E328 HydrophobicContact CD1-CG 4.47Å; L201-E328 HydrophobicContact CD2-CG 4.15Å; L201-I331 HydrophobicContact CD2-CD1 3.81Å |
| 202 | N | 98.2 | Very high | 96.5 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 179.2 | -68.4 | -15.6 | 0 | 0 | 0 | 111 | N198 Y204 V205 E206 | N198-N202 VanDerWaalsContact O-CB 3.31Å; N198-N202 WeakPolarHBondContact O-CB 3.49Å; N198-N202 PolarHBondContact O-N 2.91Å; N198-N202 PolarHBondContact O-ND2 2.78Å; N202-Y204 VanDerWaalsContact C-N 3.3Å; N202-Y204 PolarHBondContact O-N 3.21Å; N202-V205 PolarHBondContact O-N 3.39Å; N202-E206 VanDerWaalsContact O-CB 3.27Å; N202-E206 WeakPolarHBondContact O-CB 3.33Å; N202-E206 VanDerWaalsContact O-CG 3.3Å; N202-E206 WeakPolarHBondContact O-CG 3.33Å; N202-E206 PolarHBondContact O-N 2.98Å |
| 203 | W | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -45.7 | 173.9 | 163.6 | 77.2 | 0 | 0 | 0 | 112 | A69 L73 F76 R199 I200 Y207 G208 L212 L289 | A69-W203 PolarHBondContact O-NE1 2.88Å; L73-W203 HydrophobicContact CB-CH2 4.31Å; L73-W203 HydrophobicContact CB-CZ2 3.59Å; L73-W203 HydrophobicContact CD1-CD2 4.45Å; L73-W203 HydrophobicContact CD1-CE3 4.28Å; L73-W203 HydrophobicContact CD1-CH2 3.41Å; L73-W203 VanDerWaalsContact CD1-CH2 3.41Å; L73-W203 HydrophobicContact CD1-CZ2 3.58Å; L73-W203 HydrophobicContact CD1-CZ3 3.77Å; L73-W203 HydrophobicContact CD2-CH2 3.83Å; L73-W203 HydrophobicContact CD2-CZ2 3.74Å; L73-W203 HydrophobicContact CG-CH2 4.04Å; L73-W203 HydrophobicContact CG-CZ2 3.82Å; F76-W203 HydrophobicContact CD2-CB 4.37Å; F76-W203 HydrophobicContact CD2-CD2 4.19Å; F76-W203 HydrophobicContact CD2-CE3 4.37Å; F76-W203 HydrophobicContact CD2-CG 4.14Å; F76-W203 HydrophobicContact CE2-CB 3.55Å; F76-W203 HydrophobicContact CE2-CD2 4.21Å; F76-W203 AromaticContact CE2-CG 3.69Å; F76-W203 HydrophobicContact CE2-CG 3.69Å; F76-W203 HydrophobicContact CZ-CB 4.25Å; R199-W203 WeakPolarHBondContact O-CB 3.41Å; R199-W203 PolarHBondContact O-N 2.87Å; I200-W203 HydrophobicContact CG2-CE3 4.43Å; I200-W203 PolarHBondContact O-N 2.81Å; W203-Y207 WeakPolarHBondContact O-CA 3.43Å; W203-Y207 WeakPolarHBondContact O-CB 3.35Å; W203-Y207 PolarHBondContact O-N 3.12Å; W203-G208 PolarHBondContact O-N 2.75Å; W203-L212 HydrophobicContact CH2-CD1 4.38Å; W203-L212 HydrophobicContact CZ2-CD1 4.4Å; W203-L289 HydrophobicContact CZ3-CD1 3.89Å |
| 204 | Y | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -65.5 | -48 | -176.9 | -171.8 | -107.7 | 0 | 0 | 0 | 111.1 | I200 L201 N202 G208 A209 F214 T320 F323 | I200-Y204 VanDerWaalsContact O-CB 3.3Å; I200-Y204 WeakPolarHBondContact O-CB 3.45Å; I200-Y204 PolarHBondContact O-N 3.01Å; L201-Y204 PolarHBondContact O-N 3.3Å; N202-Y204 VanDerWaalsContact C-N 3.3Å; N202-Y204 PolarHBondContact O-N 3.21Å; Y204-G208 PolarHBondContact O-N 3.49Å; Y204-G208 VanDerWaalsContact O-N 3.14Å; Y204-A209 HydrophobicContact CD1-CB 4.33Å; Y204-A209 HydrophobicContact CE1-CB 4.07Å; Y204-A209 WeakPolarHBondContact O-CB 3.48Å; Y204-A209 PolarHBondContact O-N 3.36Å; Y204-F214 HydrophobicContact CD2-CE1 4.44Å; Y204-F214 HydrophobicContact CD2-CZ 4.31Å; Y204-F214 AromaticContact CE2-CE1 3.82Å; Y204-F214 HydrophobicContact CE2-CE1 3.82Å; Y204-F214 AromaticContact CE2-CZ 3.83Å; Y204-F214 HydrophobicContact CE2-CZ 3.83Å; Y204-T320 HydrophobicContact CE1-CG2 3.82Å; Y204-T320 WeakPolarHBondContact OH-CA 3.44Å; Y204-F323 AromaticContact CD1-CD1 3.64Å; Y204-F323 HydrophobicContact CD1-CD1 3.64Å; Y204-F323 HydrophobicContact CD1-CE1 4.06Å; Y204-F323 AromaticContact CD2-CD1 3.98Å; Y204-F323 HydrophobicContact CD2-CD1 3.98Å; Y204-F323 AromaticContact CD2-CE1 3.89Å; Y204-F323 HydrophobicContact CD2-CE1 3.89Å; Y204-F323 HydrophobicContact CE1-CB 4.3Å; Y204-F323 AromaticContact CE1-CD1 3.49Å; Y204-F323 HydrophobicContact CE1-CD1 3.49Å; Y204-F323 VanDerWaalsContact CE1-CD1 3.49Å; Y204-F323 HydrophobicContact CE1-CE1 4.29Å; Y204-F323 HydrophobicContact CE1-CG 4.32Å; Y204-F323 AromaticContact CE2-CD1 3.85Å; Y204-F323 HydrophobicContact CE2-CD1 3.85Å; Y204-F323 HydrophobicContact CE2-CE1 4.13Å; Y204-F323 AromaticContact CG-CD1 3.87Å; Y204-F323 HydrophobicContact CG-CD1 3.87Å; Y204-F323 AromaticContact CG-CE1 3.84Å; Y204-F323 HydrophobicContact CG-CE1 3.84Å; Y204-F323 AromaticContact CZ-CD1 3.58Å |
| 205 | V | 94.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 42 Ų | 42 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -65.5 | -44.4 | -179.8 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | L201 N202 R324 | L201-V205 HydrophobicContact CD1-CG2 3.96Å; L201-V205 WeakPolarHBondContact O-CB 3.2Å; L201-V205 WeakPolarHBondContact O-CG2 3.48Å; L201-V205 PolarHBondContact O-N 2.8Å; N202-V205 PolarHBondContact O-N 3.39Å; V205-R324 HydrophobicContact CG2-CG 4.38Å |
| 206 | E | 95 | Very high | 94.7 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -75.8 | -37.4 | -175 | -69.4 | 179 | -175.9 | 0 | 0 | 112.8 | N202 K210 | N202-E206 VanDerWaalsContact O-CB 3.27Å; N202-E206 WeakPolarHBondContact O-CB 3.33Å; N202-E206 VanDerWaalsContact O-CG 3.3Å; N202-E206 WeakPolarHBondContact O-CG 3.33Å; N202-E206 PolarHBondContact O-N 2.98Å; E206-K210 WeakPolarHBondContact O-CE 3.31Å; E206-K210 PolarHBondContact O-NZ 3.21Å |
| 207 | Y | 95.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 27% | 0.271 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -126.7 | -61 | -170.4 | -57 | -84.7 | 0 | 0 | 0 | 112.4 | W203 A209 K210 | W203-Y207 WeakPolarHBondContact O-CA 3.43Å; W203-Y207 WeakPolarHBondContact O-CB 3.35Å; W203-Y207 PolarHBondContact O-N 3.12Å; Y207-A209 PolarHBondContact O-N 3.25Å; Y207-K210 PolarHBondContact O-N 3.33Å; Y207-K210 VanDerWaalsContact O-N 3.08Å |
| 208 | G | 94.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -56.6 | -45.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W203 Y204 K210 E211 L212 | W203-G208 PolarHBondContact O-N 2.75Å; Y204-G208 PolarHBondContact O-N 3.49Å; Y204-G208 VanDerWaalsContact O-N 3.14Å; G208-K210 PolarHBondContact O-N 2.88Å; G208-K210 VanDerWaalsContact O-N 3.13Å; G208-E211 PolarHBondContact O-N 2.92Å; G208-E211 VanDerWaalsContact O-N 3.11Å; G208-L212 PolarHBondContact O-N 2.86Å |
| 209 | A | 92.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -21.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y204 Y207 K298 T320 | Y204-A209 HydrophobicContact CD1-CB 4.33Å; Y204-A209 HydrophobicContact CE1-CB 4.07Å; Y204-A209 WeakPolarHBondContact O-CB 3.48Å; Y204-A209 PolarHBondContact O-N 3.36Å; Y207-A209 PolarHBondContact O-N 3.25Å; A209-K298 WeakPolarHBondContact O-CD 3.3Å; A209-K298 VanDerWaalsContact O-CE 3.26Å; A209-K298 WeakPolarHBondContact O-CE 3.38Å; A209-K298 PolarHBondContact O-NZ 2.65Å; A209-T320 HydrophobicContact CB-CG2 3.46Å; A209-T320 VanDerWaalsContact CB-CG2 3.46Å |
| 210 | K | 91.3 | Very high | 94.4 | Very high | 148 Ų | 148 | 32.4 Ų | 32.4 | 64% | 0.643 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -83.5 | -25.9 | 179 | -65 | 169.6 | -176.3 | 160 | 0 | 112.5 | E206 Y207 G208 K298 | E206-K210 WeakPolarHBondContact O-CE 3.31Å; E206-K210 PolarHBondContact O-NZ 3.21Å; Y207-K210 PolarHBondContact O-N 3.33Å; Y207-K210 VanDerWaalsContact O-N 3.08Å; G208-K210 PolarHBondContact O-N 2.88Å; G208-K210 VanDerWaalsContact O-N 3.13Å; K210-K298 WeakPolarHBondContact O-CB 3.45Å |
| 211 | E | 91.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 32.4 Ų | 32.4 | 31% | 0.313 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -116 | -22.2 | -170.4 | -64.3 | -170.7 | -153.3 | 0 | 0 | 113.5 | S67 A69 G208 A297 K298 | S67-E211 WeakPolarHBondContact CB-OE2 3.3Å; S67-E211 PolarHBondContact OG-OE1 3.01Å; S67-E211 PolarHBondContact OG-OE2 2.97Å; A69-E211 HydrophobicContact CB-CB 4.42Å; A69-E211 HydrophobicContact CB-CG 4.16Å; A69-E211 VanDerWaalsContact CB-OE1 3.3Å; A69-E211 WeakPolarHBondContact CB-OE1 3.2Å; G208-E211 PolarHBondContact O-N 2.92Å; G208-E211 VanDerWaalsContact O-N 3.11Å; E211-A297 CarbonylContact O-C 3.55Å; E211-A297 WeakPolarHBondContact O-CA 3.08Å; E211-K298 PolarHBondContact O-N 3.02Å |
| 212 | L | 92.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.7 | -171.9 | -65.8 | 174.2 | 0 | 0 | 0 | 111.7 | F57 L70 L73 W203 G208 F214 W295 | F57-L212 HydrophobicContact CE2-CD1 4.48Å; L70-L212 HydrophobicContact CD2-CD1 3.74Å; L70-L212 HydrophobicContact CD2-CD2 4.08Å; L70-L212 HydrophobicContact CD2-CG 4.18Å; L73-L212 HydrophobicContact CD2-CD1 3.83Å; W203-L212 HydrophobicContact CH2-CD1 4.38Å; W203-L212 HydrophobicContact CZ2-CD1 4.4Å; G208-L212 PolarHBondContact O-N 2.86Å; L212-F214 HydrophobicContact CB-CD1 4.34Å; L212-W295 HydrophobicContact CD2-CE3 4.14Å; L212-W295 HydrophobicContact CD2-CZ3 4.34Å |
| 213 | T | 91.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.8 | 154.1 | 57.8 | 0 | 0 | 0 | 0 | 108.1 | Y119 W295 K296 K298 | Y119-T213 WeakPolarHBondContact CE1-OG1 3.44Å; Y119-T213 PolarHBondContact OH-O 3.42Å; Y119-T213 VanDerWaalsContact OH-O 3.06Å; Y119-T213 PolarHBondContact OH-OG1 3.44Å; T213-W295 CarbonylContact O-C 3.44Å; T213-W295 VanDerWaalsContact O-CA 3.3Å; T213-W295 WeakPolarHBondContact O-CA 3.12Å; T213-K296 PolarHBondContact N-O 3.01Å; T213-K296 PolarHBondContact O-N 3.2Å; T213-K296 PolarHBondContact OG1-O 3.04Å; T213-K298 HydrophobicContact CG2-CD 4.22Å; T213-K298 HydrophobicContact CG2-CG 4.06Å |
| 214 | F | 89.2 | Confident | 94.2 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.9 | 168.9 | 47.5 | -95 | 0 | 0 | 0 | 108.8 | Y204 L212 S217 R294 W295 F323 | Y204-F214 HydrophobicContact CD2-CE1 4.44Å; Y204-F214 HydrophobicContact CD2-CZ 4.31Å; Y204-F214 AromaticContact CE2-CE1 3.82Å; Y204-F214 HydrophobicContact CE2-CE1 3.82Å; Y204-F214 AromaticContact CE2-CZ 3.83Å; Y204-F214 HydrophobicContact CE2-CZ 3.83Å; L212-F214 HydrophobicContact CB-CD1 4.34Å; F214-S217 WeakPolarHBondContact CD2-OG 3.4Å; F214-R294 CarbonylContact C-O 3.59Å; F214-R294 WeakPolarHBondContact CA-O 3.4Å; F214-R294 WeakPolarHBondContact CB-O 3.33Å; F214-W295 HydrophobicContact CB-CB 4.1Å; F214-F323 HydrophobicContact CD2-CD2 4.35Å; F214-F323 HydrophobicContact CD2-CE2 4.48Å; F214-F323 HydrophobicContact CE2-CD1 4.41Å; F214-F323 AromaticContact CE2-CD2 3.44Å; F214-F323 HydrophobicContact CE2-CD2 3.44Å; F214-F323 VanDerWaalsContact CE2-CD2 3.44Å; F214-F323 HydrophobicContact CE2-CE1 4.28Å; F214-F323 AromaticContact CE2-CE2 3.35Å; F214-F323 HydrophobicContact CE2-CE2 3.35Å; F214-F323 HydrophobicContact CE2-CG 4.02Å; F214-F323 AromaticContact CE2-CZ 3.79Å; F214-F323 HydrophobicContact CE2-CZ 3.79Å; F214-F323 HydrophobicContact CZ-CD1 4.23Å; F214-F323 HydrophobicContact CZ-CD2 4.07Å; F214-F323 AromaticContact CZ-CE1 3.96Å; F214-F323 HydrophobicContact CZ-CE1 3.96Å; F214-F323 AromaticContact CZ-CE2 3.85Å; F214-F323 HydrophobicContact CZ-CE2 3.85Å; F214-F323 HydrophobicContact CZ-CG 4.27Å; F214-F323 AromaticContact CZ-CZ 3.78Å; F214-F323 HydrophobicContact CZ-CZ 3.78Å |
| 215 | C | 88.9 | Confident | 93.9 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -137.1 | 159.9 | 175 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | S217 R294 L319 | C215-S217 PolarHBondContact O-N 2.72Å; C215-R294 PolarHBondContact N-O 2.9Å; C215-R294 WeakPolarHBondContact O-CB 3.36Å; C215-R294 VanDerWaalsContact SG-CB 3.52Å; C215-L319 HydrophobicContact CB-CD2 3.73Å |
| 216 | R | 88.5 | Confident | 93.6 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 61.8 | -5.9 | -176.6 | -47.7 | -176 | 178.6 | -157.8 | -9 | 115.7 | K112 I117 Q128 | K112-R216 PolarHBondContact NZ-O 3.03Å; I117-R216 HydrophobicContact CB-CG 4.42Å; I117-R216 WeakPolarHBondContact O-CD 3.19Å; I117-R216 WeakPolarHBondContact O-CG 3.42Å; I117-R216 PolarHBondContact O-NE 3.3Å; Q128-R216 VanDerWaalsContact OE1-CZ 3.27Å |
| 217 | S | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | trans | -58.7 | 156 | 167.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | M113 F214 C215 I290 D291 | M113-S217 PolarHBondContact N-O 3.21Å; F214-S217 WeakPolarHBondContact CD2-OG 3.4Å; C215-S217 PolarHBondContact O-N 2.72Å; S217-I290 WeakPolarHBondContact CA-O 3.34Å; S217-I290 WeakPolarHBondContact CB-O 3.45Å; S217-D291 WeakPolarHBondContact CA-O 3.2Å; S217-D291 VanDerWaalsContact CB-O 3.29Å; S217-D291 WeakPolarHBondContact CB-O 3.42Å; S217-D291 PolarHBondContact OG-O 2.6Å | ||
| 218 | S | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.1 | -173.9 | -74 | 0 | 0 | 0 | 0 | 111.9 | D110 F111 L289 I290 | D110-S218 WeakPolarHBondContact OD1-CB 3.17Å; D110-S218 PolarHBondContact OD1-OG 3.09Å; F111-S218 CarbonylContact O-C 3.48Å; F111-S218 WeakPolarHBondContact O-CA 3.28Å; F111-S218 WeakPolarHBondContact O-CB 3.36Å; F111-S218 PolarHBondContact O-OG 3.13Å; S218-L289 WeakPolarHBondContact O-CA 3.49Å; S218-I290 PolarHBondContact N-O 2.96Å; S218-I290 PolarHBondContact O-N 2.9Å |
| 219 | L | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.6 | 158.5 | -78.3 | 172.5 | 0 | 0 | 0 | 109.1 | D110 F111 M113 L197 I200 L221 V287 Y288 L289 L327 L330 | D110-L219 WeakPolarHBondContact CA-O 3.3Å; F111-L219 PolarHBondContact N-O 3.26Å; F111-L219 PolarHBondContact O-N 3.36Å; M113-L219 HydrophobicContact CE-CD1 3.55Å; M113-L219 HydrophobicContact CE-CG 4.36Å; M113-L219 HydrophobicContact CG-CB 4.29Å; M113-L219 HydrophobicContact CG-CD1 4.14Å; M113-L219 HydrophobicContact CG-CG 3.91Å; M113-L219 HydrophobicContact SD-CB 4.03Å; M113-L219 HydrophobicContact SD-CD1 3.68Å; M113-L219 HydrophobicContact SD-CG 3.94Å; L197-L219 HydrophobicContact CD2-CD1 4.11Å; I200-L219 HydrophobicContact CD1-CD2 3.79Å; L219-L221 HydrophobicContact CB-CD1 3.96Å; L219-V287 HydrophobicContact CD2-CG1 3.9Å; L219-Y288 CarbonylContact C-O 3.55Å; L219-Y288 WeakPolarHBondContact CA-O 3.35Å; L219-L289 HydrophobicContact CD2-CD2 3.34Å; L219-L289 HydrophobicContact CD2-CG 3.72Å; L219-L289 HydrophobicContact CG-CD2 3.89Å; L219-L327 HydrophobicContact CD1-CD2 3.5Å; L219-L327 VanDerWaalsContact CD1-CD2 3.5Å; L219-L327 HydrophobicContact CD1-CG 4.34Å; L219-L330 HydrophobicContact CD1-CD1 3.88Å |
| 220 | L | 98.2 | Very high | 87.6 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.3 | 172 | -164.2 | 71.6 | 0 | 0 | 0 | 108.5 | V19 L99 I108 C109 D110 I222 V287 Y288 I290 | V19-L220 HydrophobicContact CG2-CD1 4.17Å; L99-L220 HydrophobicContact CD1-CD2 3.84Å; I108-L220 HydrophobicContact CG2-CD1 3.51Å; I108-L220 HydrophobicContact CG2-CG 4.03Å; C109-L220 CarbonylContact O-C 3.51Å; C109-L220 WeakPolarHBondContact O-CA 3.4Å; D110-L220 HydrophobicContact CB-CD1 4.06Å; L220-I222 HydrophobicContact CD2-CD1 3.85Å; L220-I222 HydrophobicContact CD2-CG1 4.25Å; L220-I222 HydrophobicContact CG-CD1 4.21Å; L220-I222 HydrophobicContact CG-CG1 4.14Å; L220-V287 WeakPolarHBondContact O-CA 3.5Å; L220-Y288 PolarHBondContact N-O 3.39Å; L220-Y288 PolarHBondContact O-N 3.29Å; L220-I290 HydrophobicContact CB-CD1 4Å; L220-I290 HydrophobicContact CB-CG1 4.44Å; L220-I290 HydrophobicContact CD1-CD1 4.18Å; L220-I290 HydrophobicContact CD2-CD1 4.44Å; L220-I290 HydrophobicContact CG-CD1 4.45Å |
| 221 | L | 98.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.7 | 176.1 | -80.1 | 63.7 | 0 | 0 | 0 | 108.2 | I108 C109 F111 F178 Y193 L219 V287 M334 | I108-L221 CarbonylContact C-O 3.44Å; I108-L221 WeakPolarHBondContact CA-O 3.3Å; C109-L221 HydrophobicContact CB-CB 4.21Å; C109-L221 PolarHBondContact N-O 3.5Å; C109-L221 PolarHBondContact O-N 3.35Å; F111-L221 HydrophobicContact CD2-CD1 4.34Å; F111-L221 HydrophobicContact CE2-CD2 4.47Å; F178-L221 HydrophobicContact CE1-CB 4.12Å; F178-L221 HydrophobicContact CE1-CD2 4.38Å; F178-L221 HydrophobicContact CZ-CB 3.9Å; Y193-L221 HydrophobicContact CD1-CD2 4.08Å; Y193-L221 HydrophobicContact CD1-CG 4.09Å; Y193-L221 HydrophobicContact CE1-CB 3.77Å; Y193-L221 HydrophobicContact CE1-CD2 4.07Å; Y193-L221 HydrophobicContact CE1-CG 3.8Å; L219-L221 HydrophobicContact CB-CD1 3.96Å; L221-V287 HydrophobicContact CD1-CG1 4.1Å; L221-V287 HydrophobicContact CG-CG1 4.5Å; L221-V287 HydrophobicContact CG-CG2 4.26Å; L221-M334 HydrophobicContact CD2-CE 3.57Å |
| 222 | I | 98.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137 | -176.4 | -54.2 | 153.4 | 0 | 0 | 0 | 109.5 | L99 V100 F103 P106 N107 I108 Y193 L220 T285 E286 Y288 | L99-I222 HydrophobicContact CB-CD1 4.02Å; V100-I222 HydrophobicContact CG1-CD1 3.84Å; V100-I222 HydrophobicContact CG1-CG1 4.24Å; V100-I222 HydrophobicContact CG1-CG2 4.19Å; F103-I222 HydrophobicContact CD1-CG2 3.94Å; F103-I222 HydrophobicContact CD2-CG2 4Å; F103-I222 HydrophobicContact CE1-CG2 3.73Å; F103-I222 HydrophobicContact CE2-CG2 3.76Å; F103-I222 HydrophobicContact CG-CG2 4.07Å; F103-I222 HydrophobicContact CZ-CB 4.33Å; F103-I222 HydrophobicContact CZ-CG2 3.63Å; P106-I222 HydrophobicContact CB-CG2 3.93Å; N107-I222 WeakPolarHBondContact O-CA 3.27Å; I108-I222 HydrophobicContact CG1-CG1 4.47Å; I108-I222 HydrophobicContact CG1-CG2 4.48Å; I108-I222 HydrophobicContact CG2-CG1 4.3Å; Y193-I222 PolarHBondContact OH-N 2.53Å; Y193-I222 PolarHBondContact OH-O 3.25Å; L220-I222 HydrophobicContact CD2-CD1 3.85Å; L220-I222 HydrophobicContact CD2-CG1 4.25Å; L220-I222 HydrophobicContact CG-CD1 4.21Å; L220-I222 HydrophobicContact CG-CG1 4.14Å; I222-T285 WeakPolarHBondContact O-CA 3.37Å; I222-E286 HydrophobicContact CB-CB 4.4Å; I222-E286 PolarHBondContact N-O 3.25Å; I222-E286 PolarHBondContact O-N 2.9Å; I222-Y288 HydrophobicContact CD1-CD2 4.18Å; I222-Y288 HydrophobicContact CD1-CE2 4.43Å |
| 223 | H | 97.5 | Very high | 79.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 163.7 | 163.9 | 70.8 | 94.4 | 0 | 0 | 0 | 110.1 | P106 N107 F178 L189 Y193 T285 | P106-H223 CarbonylContact C-O 3.57Å; P106-H223 WeakPolarHBondContact CA-O 3.41Å; N107-H223 WeakPolarHBondContact CB-NE2 3.46Å; N107-H223 PolarHBondContact N-O 2.79Å; N107-H223 PolarHBondContact ND2-CE1 3.5Å; N107-H223 VanDerWaalsContact ND2-CE1 3.35Å; N107-H223 PolarHBondContact ND2-NE2 3.24Å; N107-H223 PolarHBondContact O-N 3.3Å; N107-H223 VanDerWaalsContact O-N 3.14Å; F178-H223 AromaticContact CE1-CD2 3.84Å; F178-H223 AromaticContact CE2-CD2 3.97Å; F178-H223 AromaticContact CZ-CD2 3.57Å; F178-H223 PolarHBondContact O-NE2 3.43Å; L189-H223 VanDerWaalsContact CD1-CE1 3.42Å; L189-H223 WeakPolarHBondContact CD1-CE1 3.45Å; L189-H223 WeakPolarHBondContact CD1-ND1 3.49Å; L189-H223 HydrophobicContact CD2-CB 3.7Å; Y193-H223 AromaticContact CE2-CD2 4Å; Y193-H223 WeakPolarHBondContact OH-CB 3.26Å; Y193-H223 PolarHBondContact OH-CD2 2.78Å; Y193-H223 VanDerWaalsContact OH-CD2 3.25Å; Y193-H223 PolarHBondContact OH-N 2.88Å; H223-T285 HydrophobicContact CB-CG2 4.15Å |
| 224 | E | 94.4 | Very high | 77.1 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 144.8 | 174.7 | -171.1 | 55.4 | -93.7 | 0 | 0 | 110.8 | F103 K104 Q105 Y185 | F103-E224 HydrophobicContact CD1-CB 4.15Å; K104-E224 PolarHBondContact N-OE2 3.2Å; Q105-E224 WeakPolarHBondContact CA-OE1 3.44Å; Q105-E224 WeakPolarHBondContact CB-OE1 3.46Å; Q105-E224 PolarHBondContact N-OE1 2.99Å; Q105-E224 PolarHBondContact N-OE2 2.79Å; Y185-E224 PolarHBondContact OH-O 3.02Å; Y185-E224 VanDerWaalsContact OH-O 3.06Å |
| 225 | S | 92 | Very high | 74.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 144.1 | 172.7 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | Q105 N107 S147 T227 | Q105-S225 WeakPolarHBondContact O-CB 3.45Å; Q105-S225 PolarHBondContact O-N 2.87Å; Q105-S225 PolarHBondContact O-OG 2.75Å; N107-S225 PolarHBondContact OD1-OG 2.92Å; S147-S225 WeakPolarHBondContact CB-OG 3.37Å; S225-T227 PolarHBondContact O-N 3.31Å |
| 226 | L | 87.4 | Confident | 71.8 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 121.4 | 174.6 | -167.7 | 69.4 | 0 | 0 | 0 | 109.5 | D182 Y185 N281 | D182-L226 HydrophobicContact CB-CD2 3.8Å; Y185-L226 HydrophobicContact CD1-CB 4.03Å; Y185-L226 HydrophobicContact CD1-CD1 4.22Å; Y185-L226 HydrophobicContact CD2-CD1 4.17Å; Y185-L226 HydrophobicContact CE1-CB 4.1Å; Y185-L226 HydrophobicContact CE1-CD1 4.39Å; Y185-L226 HydrophobicContact CE2-CD1 4.37Å; Y185-L226 HydrophobicContact CG-CD1 4.1Å; L226-N281 WeakPolarHBondContact CD1-ND2 3.46Å |
| 227 | T | 76.8 | Confident | 69.4 | Low | 75 Ų | 75 | 69.2 Ų | 69.2 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 131.7 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | S225 D229 | S225-T227 PolarHBondContact O-N 3.31Å; T227-D229 PolarHBondContact O-N 3.44Å |
| 228 | I | 68.3 | Low | 66.8 | Low | 77 Ų | 77 | 75.8 Ų | 75.8 | 40% | 0.395 | 43% | 0.429 | S | S | . | . | trans | -86.1 | 106.9 | 162.5 | -56.5 | 175.9 | 0 | 0 | 0 | 105.7 | P149 N230 | P149-I228 HydrophobicContact CB-CD1 3.85Å; P149-I228 HydrophobicContact CB-CG1 4.18Å; P149-I228 HydrophobicContact CG-CD1 4.28Å; I228-N230 PolarHBondContact O-N 2.93Å | ||
| 229 | D | 59.8 | Low | 64.1 | Low | 122 Ų | 122 | 80.7 Ų | 80.7 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | trans | -68.4 | 79.1 | 172.7 | -76.9 | -9.7 | 0 | 0 | 0 | 109.6 | T227 S231 | T227-D229 PolarHBondContact O-N 3.44Å; D229-S231 PolarHBondContact O-N 2.72Å | ||
| 230 | N | 46.8 | Very low | 61.7 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | trans | -74.9 | 85.4 | 159.9 | -77.9 | -14.5 | 0 | 0 | 0 | 107 | I228 N232 | I228-N230 PolarHBondContact O-N 2.93Å; N230-N232 PolarHBondContact O-N 3.17Å | ||
| 231 | S | 39.9 | Very low | 59.6 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 76% | 0.755 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -63.5 | 82.5 | 161.5 | 49.6 | 0 | 0 | 0 | 0 | 108.3 | D229 | D229-S231 PolarHBondContact O-N 2.72Š|
| 232 | N | 36.3 | Very low | 57.5 | Low | 144 Ų | 144 | 90.5 Ų | 90.5 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 151.3 | 84.3 | 163.2 | -78.1 | -25.4 | 0 | 0 | 0 | 108 | N230 | N230-N232 PolarHBondContact O-N 3.17Š|
| 233 | N | 35.6 | Very low | 56 | Low | 156 Ų | 156 | 95 Ų | 95 | 83% | 0.834 | 55% | 0.55 | S | S | * | . | trans | 178.4 | 87.1 | 141.7 | -87.3 | -24 | 0 | 0 | 0 | 109.3 | H235 | N233-H235 PolarHBondContact O-N 2.89Š| ||
| 234 | D | 35.2 | Very low | 54 | Low | 170 Ų | 170 | 98.6 Ų | 98.6 | 91% | 0.909 | 57% | 0.572 | S | S | * | * | trans | -67 | 73 | 158.6 | -75.9 | -30.2 | 0 | 0 | 0 | 109.5 | ||||
| 235 | H | 34.4 | Very low | 52.1 | Low | 163 Ų | 163 | 98.5 Ų | 98.5 | 76% | 0.755 | 58% | 0.579 | S | S | * | * | trans | 177.5 | 101.1 | 153.5 | -120.5 | -74.6 | 0 | 0 | 0 | 109.1 | N233 | N233-H235 PolarHBondContact O-N 2.89Š| ||
| 236 | C | 32 | Very low | 49.5 | Very low | 122 Ų | 122 | 102 Ų | 102 | 82% | 0.824 | 60% | 0.597 | S | S | * | * | trans | -143.9 | 99.3 | 145 | -161.9 | 0 | 0 | 0 | 0 | 109.1 | T238 | C236-T238 PolarHBondContact O-N 3.22Š| ||
| 237 | S | 36.6 | Very low | 47.1 | Very low | 83 Ų | 83 | 105.2 Ų | 105.2 | 58% | 0.58 | 61% | 0.614 | S | S | * | * | trans | -54.4 | 133.8 | 168.2 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | S239 | S237-S239 PolarHBondContact O-N 3.25Š| ||
| 238 | T | 40.2 | Very low | 44.9 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 85% | 0.853 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -37.4 | 95.9 | 174.7 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | C236 | C236-T238 PolarHBondContact O-N 3.22Š|
| 239 | S | 40.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 111.3 Ų | 111.3 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | trans | -148.1 | 57.8 | 164.4 | -73 | 0 | 0 | 0 | 0 | 108 | S237 T241 | S237-S239 PolarHBondContact O-N 3.25Å; S239-T241 PolarHBondContact O-N 3.26Å | ||
| 240 | S | 47.5 | Very low | 41.3 | Very low | 61 Ų | 61 | 112.3 Ų | 112.3 | 43% | 0.427 | 66% | 0.659 | S | S | . | * | trans | -59.8 | 109 | 164.8 | -60.4 | 0 | 0 | 0 | 0 | 107.6 | T242 | S240-T242 PolarHBondContact O-N 3.01Š| ||
| 241 | T | 54.2 | Low | 40.3 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | trans | -67.1 | 126.2 | 173 | -60.4 | 0 | 0 | 0 | 0 | 107.2 | C153 L154 S239 | C153-T241 VanDerWaalsContact CB-O 3.28Å; C153-T241 WeakPolarHBondContact CB-O 3.22Å; L154-T241 PolarHBondContact N-O 3.3Å; L154-T241 VanDerWaalsContact N-O 3.17Å; S239-T241 PolarHBondContact O-N 3.26Å | ||
| 242 | T | 54 | Low | 39.6 | Very low | 70 Ų | 70 | 113.8 Ų | 113.8 | 43% | 0.429 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.6 | 173.6 | -58.2 | 0 | 0 | 0 | 0 | 107.7 | K156 S240 | K156-T242 HydrophobicContact CB-CG2 4.32Å; K156-T242 HydrophobicContact CD-CG2 3.94Å; K156-T242 HydrophobicContact CG-CG2 4.1Å; S240-T242 PolarHBondContact O-N 3.01Å |
| 243 | I | 66.6 | Low | 39.1 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 48% | 0.482 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.7 | 168.8 | -58.5 | 176.5 | 0 | 0 | 0 | 107 | L154 K156 | L154-I243 PolarHBondContact O-N 2.83Å; K156-I243 PolarHBondContact N-O 3.38Å; K156-I243 VanDerWaalsContact N-O 3.15Å |
| 244 | T | 55.8 | Low | 38.6 | Very low | 77 Ų | 77 | 111.4 Ų | 111.4 | 47% | 0.472 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 114 | 169 | -47.3 | 0 | 0 | 0 | 0 | 107.5 | D246 | T244-D246 PolarHBondContact O-N 2.85Å |
| 245 | A | 53.9 | Low | 38.3 | Very low | 42 Ų | 42 | 111.7 Ų | 111.7 | 35% | 0.347 | 66% | 0.664 | S | S | . | * | trans | -83.5 | 90 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L157 N247 | L157-A245 HydrophobicContact CD2-CB 3.72Å; A245-N247 PolarHBondContact O-N 2.98Å | ||
| 246 | D | 38.5 | Very low | 37.9 | Very low | 82 Ų | 82 | 109.7 Ų | 109.7 | 44% | 0.439 | 66% | 0.663 | S | S | . | * | trans | -84.6 | 105.6 | 169.4 | -77.8 | -27.9 | 0 | 0 | 0 | 109 | N158 T244 Q248 | N158-D246 PolarHBondContact ND2-OD1 2.68Å; T244-D246 PolarHBondContact O-N 2.85Å; D246-Q248 PolarHBondContact O-N 2.76Å | ||
| 247 | N | 37.1 | Very low | 37.6 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | trans | -70 | 82.7 | 166.5 | -77 | -8.4 | 0 | 0 | 0 | 108.6 | A245 S249 | A245-N247 PolarHBondContact O-N 2.98Å; N247-S249 PolarHBondContact O-N 2.73Å | ||
| 248 | Q | 30.2 | Very low | 37.3 | Very low | 163 Ų | 163 | 111.8 Ų | 111.8 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | trans | -60.3 | 126.6 | 167.7 | -69.8 | -174 | 0.9 | 0 | 0 | 109.2 | D246 V250 | D246-Q248 PolarHBondContact O-N 2.76Å; Q248-V250 PolarHBondContact O-N 3.39Å | ||
| 249 | S | 26 | Very low | 36.7 | Very low | 117 Ų | 117 | 110 Ų | 110 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -0.1 | 94.8 | 168.4 | 61.6 | 0 | 0 | 0 | 0 | 116.5 | N247 | N247-S249 PolarHBondContact O-N 2.73Š| ||
| 250 | V | 26.7 | Very low | 36.2 | Very low | 143 Ų | 143 | 112.1 Ų | 112.1 | 87% | 0.867 | 66% | 0.661 | S | S | * | * | trans | -100.5 | 102.1 | 159.3 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | Q248 | Q248-V250 PolarHBondContact O-N 3.39Š| ||
| 251 | N | 24.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 112.4 Ų | 112.4 | 78% | 0.781 | 66% | 0.657 | S | S | * | * | trans | -53.7 | 150.8 | 166.4 | -91 | -21.7 | 0 | 0 | 0 | 110.7 | ||||
| 252 | S | 25.1 | Very low | 35 | Very low | 110 Ų | 110 | 112.9 Ų | 112.9 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -13.6 | 136.4 | 170.1 | -58.9 | 0 | 0 | 0 | 0 | 118.6 | ||
| 253 | S | 25.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 113.1 Ų | 113.1 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | trans | 100.5 | 115.9 | 153.1 | -51.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 254 | N | 26.2 | Very low | 32.8 | Very low | 145 Ų | 145 | 112 Ų | 112 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | trans | 93.2 | 122.4 | 153.3 | -57.1 | -13.3 | 0 | 0 | 0 | 118 | T256 | N254-T256 PolarHBondContact O-N 2.72Å; N254-T256 PolarHBondContact O-OG1 2.71Å | ||
| 255 | D | 29 | Very low | 31.7 | Very low | 176 Ų | 176 | 113.8 Ų | 113.8 | 94% | 0.941 | 68% | 0.676 | S | S | * | * | trans | -20.1 | 97 | 161 | -72.3 | -45.1 | 0 | 0 | 0 | 112.8 | ||||
| 256 | T | 24.6 | Very low | 30.4 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | trans | -123.1 | 107.4 | 156.5 | -46.4 | 0 | 0 | 0 | 0 | 104.9 | N254 N258 | N254-T256 PolarHBondContact O-N 2.72Å; N254-T256 PolarHBondContact O-OG1 2.71Å; T256-N258 PolarHBondContact O-N 3.42Å; T256-N258 VanDerWaalsContact O-N 3.1Å | ||
| 257 | T | 26.1 | Very low | 30.3 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -37.8 | 116.2 | 167.9 | 47.2 | 0 | 0 | 0 | 0 | 108.8 | S259 | T257-S259 VanDerWaalsContact C-N 3.33Å; T257-S259 PolarHBondContact O-N 2.72Å | ||
| 258 | N | 30.5 | Very low | 29.9 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | trans | -51.2 | 103.6 | 171.5 | -97 | -22.6 | 0 | 0 | 0 | 107.2 | T256 D260 | T256-N258 PolarHBondContact O-N 3.42Å; T256-N258 VanDerWaalsContact O-N 3.1Å; N258-D260 PolarHBondContact O-N 3.01Å; N258-D260 VanDerWaalsContact O-N 3.15Å | ||
| 259 | S | 27.7 | Very low | 29.8 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 115.1 | 177.8 | 50.4 | 0 | 0 | 0 | 0 | 107.9 | T257 I261 | T257-S259 VanDerWaalsContact C-N 3.33Å; T257-S259 PolarHBondContact O-N 2.72Å; S259-I261 PolarHBondContact O-N 3.39Å | ||
| 260 | D | 30.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | 14.6 | 93.4 | 153.5 | -53.3 | -39.6 | 0 | 0 | 0 | 114.1 | N258 P262 | N258-D260 PolarHBondContact O-N 3.01Å; N258-D260 VanDerWaalsContact O-N 3.15Å; D260-P262 VanDerWaalsContact O-CD 3.27Å; D260-P262 WeakPolarHBondContact O-CD 3.3Å; D260-P262 VanDerWaalsContact O-N 3.15Å | ||
| 261 | I | 42 | Very low | 30.7 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 35% | 0.349 | 70% | 0.701 | S | S | . | * | trans | -58.2 | 118.7 | 151.6 | -58.7 | 177.1 | 0 | 0 | 0 | 103.9 | L157 F161 S259 I263 | L157-I261 HydrophobicContact CD1-CD1 4.26Å; F161-I261 HydrophobicContact CE2-CD1 3.77Å; F161-I261 HydrophobicContact CZ-CD1 4.15Å; S259-I261 PolarHBondContact O-N 3.39Å; I261-I263 HydrophobicContact CG2-CD1 4.45Å; I261-I263 HydrophobicContact CG2-CG1 3.88Å; I261-I263 PolarHBondContact O-N 3.28Å | ||
| 262 | P | 35.2 | Very low | 31 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -77.3 | 66.2 | -176.3 | 33 | -33.3 | 0 | 0 | 0 | 108.6 | D260 S264 | D260-P262 VanDerWaalsContact O-CD 3.27Å; D260-P262 WeakPolarHBondContact O-CD 3.3Å; D260-P262 VanDerWaalsContact O-N 3.15Å; P262-S264 PolarHBondContact O-N 3.42Å; P262-S264 VanDerWaalsContact O-N 3.16Å | ||
| 263 | I | 39.8 | Very low | 31.7 | Very low | 74 Ų | 74 | 115.4 Ų | 115.4 | 38% | 0.379 | 68% | 0.682 | S | S | . | * | trans | -75.7 | 95 | 154 | -52.6 | -174.1 | 0 | 0 | 0 | 102.7 | P177 I261 S265 | P177-I263 HydrophobicContact CB-CD1 3.67Å; P177-I263 HydrophobicContact CG-CD1 4.02Å; I261-I263 HydrophobicContact CG2-CD1 4.45Å; I261-I263 HydrophobicContact CG2-CG1 3.88Å; I261-I263 PolarHBondContact O-N 3.28Å; I263-S265 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.34Å | ||
| 264 | S | 34.7 | Very low | 32.1 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 49% | 0.49 | 68% | 0.677 | S | S | . | * | trans | -46.8 | 98.3 | -179.8 | 159.4 | 0 | 0 | 0 | 0 | 110.1 | P262 N266 | P262-S264 PolarHBondContact O-N 3.42Å; P262-S264 VanDerWaalsContact O-N 3.16Å; S264-N266 PolarHBondContact O-N 3.4Å | ||
| 265 | S | 32.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -85.8 | 41.9 | 165.9 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | I263 G267 | I263-S265 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.34Å; S265-G267 PolarHBondContact O-N 2.85Å | ||
| 266 | N | 26.7 | Very low | 32.8 | Very low | 139 Ų | 139 | 111.8 Ų | 111.8 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -77.3 | 73.3 | 165.7 | -104.8 | 0.2 | 0 | 0 | 0 | 109 | S264 N268 | S264-N266 PolarHBondContact O-N 3.4Å; N266-N268 PolarHBondContact O-N 3.06Å | ||
| 267 | G | 34.8 | Very low | 33.4 | Very low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 31.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S265 | S265-G267 PolarHBondContact O-N 2.85Š|
| 268 | N | 30 | Very low | 33.8 | Very low | 155 Ų | 155 | 111.9 Ų | 111.9 | 83% | 0.829 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 10 | -175.6 | -88.3 | -20 | 0 | 0 | 0 | 117.5 | N266 | N266-N268 PolarHBondContact O-N 3.06Š|
| 269 | N | 28.4 | Very low | 34.3 | Very low | 154 Ų | 154 | 108.7 Ų | 108.7 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | -140.8 | 35.9 | 175 | -86 | -29 | 0 | 0 | 0 | 114 | ||||
| 270 | I | 37.1 | Very low | 35.1 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 59% | 0.585 | 67% | 0.668 | S | S | * | * | trans | -101.2 | 59.9 | 170.7 | -50.3 | 179.3 | 0 | 0 | 0 | 108.3 | I273 | I270-I273 HydrophobicContact CG2-CB 4.34Å; I270-I273 HydrophobicContact CG2-CD1 3.27Å; I270-I273 HydrophobicContact CG2-CG1 3.48Å; I270-I273 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 271 | S | 33.1 | Very low | 36.4 | Very low | 103 Ų | 103 | 109.4 Ų | 109.4 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | -91.3 | 1.9 | 175.5 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 272 | N | 30.8 | Very low | 38 | Very low | 148 Ų | 148 | 111.2 Ų | 111.2 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -118.9 | 18 | -175.6 | -72.7 | 6.7 | 0 | 0 | 0 | 114.1 | S274 | N272-S274 VanDerWaalsContact C-N 3.33Å; N272-S274 PolarHBondContact O-N 3.3Å; N272-S274 VanDerWaalsContact O-N 3.14Å | ||
| 273 | I | 40.6 | Very low | 40.5 | Very low | 71 Ų | 71 | 107 Ų | 107 | 36% | 0.364 | 64% | 0.642 | S | S | . | * | trans | -79.2 | 93.3 | 160.5 | -63.3 | 178.2 | 0 | 0 | 0 | 105.9 | I270 S275 | I270-I273 HydrophobicContact CG2-CB 4.34Å; I270-I273 HydrophobicContact CG2-CD1 3.27Å; I270-I273 HydrophobicContact CG2-CG1 3.48Å; I270-I273 VanDerWaalsContact CG2-CG1 3.48Å; I273-S275 PolarHBondContact O-N 3.48Å | ||
| 274 | S | 34.8 | Very low | 43 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | trans | -66.1 | 99.8 | 172.4 | 59.7 | 0 | 0 | 0 | 0 | 108.6 | N272 D276 | N272-S274 VanDerWaalsContact C-N 3.33Å; N272-S274 PolarHBondContact O-N 3.3Å; N272-S274 VanDerWaalsContact O-N 3.14Å; S274-D276 PolarHBondContact O-N 3.2Å | ||
| 275 | S | 39.2 | Very low | 46 | Very low | 105 Ų | 105 | 104.6 Ų | 104.6 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 8.2 | 169 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | I273 S277 | I273-S275 PolarHBondContact O-N 3.48Å; S275-S277 PolarHBondContact O-N 2.84Å |
| 276 | D | 30.4 | Very low | 49.1 | Very low | 155 Ų | 155 | 101 Ų | 101 | 83% | 0.829 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 17.2 | -175.9 | -81.8 | -4.9 | 0 | 0 | 0 | 114.6 | S274 | S274-D276 PolarHBondContact O-N 3.2Š|
| 277 | S | 36 | Very low | 52.5 | Low | 82 Ų | 82 | 94.7 Ų | 94.7 | 57% | 0.573 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -94.6 | 115.1 | 155.8 | -66.5 | 0 | 0 | 0 | 0 | 107.6 | S275 G279 | S275-S277 PolarHBondContact O-N 2.84Å; S277-G279 PolarHBondContact O-N 3.06Å |
| 278 | D | 35.3 | Very low | 55.5 | Low | 168 Ų | 168 | 93.6 Ų | 93.6 | 90% | 0.898 | 54% | 0.535 | S | S | * | . | trans | -57.7 | 26.8 | 165.5 | -92.1 | -33.4 | 0 | 0 | 0 | 113.3 | H280 | D278-H280 PolarHBondContact O-N 2.84Å; D278-H280 VanDerWaalsContact O-N 3.12Å | ||
| 279 | G | 40.9 | Very low | 58.8 | Low | 55 Ų | 55 | 86.2 Ų | 86.2 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | trans | -68.5 | 103.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S277 N281 | S277-G279 PolarHBondContact O-N 3.06Å; G279-N281 PolarHBondContact O-N 2.75Å | ||
| 280 | H | 44.8 | Very low | 62 | Low | 172 Ų | 172 | 80.3 Ų | 80.3 | 80% | 0.796 | 46% | 0.464 | S | S | * | . | trans | -52 | 83.1 | 166 | -68.8 | -76.4 | 0 | 0 | 0 | 110.7 | D278 T282 | D278-H280 PolarHBondContact O-N 2.84Å; D278-H280 VanDerWaalsContact O-N 3.12Å; H280-T282 HydrophobicContact CB-CG2 4.13Å; H280-T282 PolarHBondContact O-N 3.27Å | ||
| 281 | N | 57.8 | Low | 64.7 | Low | 92 Ų | 92 | 76.8 Ų | 76.8 | 49% | 0.492 | 45% | 0.446 | S | S | . | . | trans | -70.4 | 77.6 | 159.6 | -92.8 | -9.5 | 0 | 0 | 0 | 106.2 | L226 G279 A283 | L226-N281 WeakPolarHBondContact CD1-ND2 3.46Å; G279-N281 PolarHBondContact O-N 2.75Å; N281-A283 PolarHBondContact O-N 2.88Å | ||
| 282 | T | 74.9 | Confident | 67.6 | Low | 105 Ų | 105 | 71.9 Ų | 71.9 | 64% | 0.644 | 41% | 0.411 | S | S | * | . | trans | -60.1 | 121.7 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 106.5 | H280 H284 | H280-T282 HydrophobicContact CB-CG2 4.13Å; H280-T282 PolarHBondContact O-N 3.27Å; T282-H284 PolarHBondContact O-N 3.14Å | ||
| 283 | A | 87.8 | Confident | 70.4 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -70.4 | 76.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109 | Y185 K188 L189 S192 N281 | Y185-A283 HydrophobicContact CD2-CB 4.31Å; Y185-A283 HydrophobicContact CE2-CB 3.96Å; K188-A283 HydrophobicContact CB-CB 3.46Å; K188-A283 VanDerWaalsContact CB-CB 3.46Å; L189-A283 HydrophobicContact CD2-CB 3.9Å; L189-A283 HydrophobicContact CG-CB 4.13Å; S192-A283 WeakPolarHBondContact CB-O 3.33Å; S192-A283 PolarHBondContact OG-O 3.43Å; N281-A283 PolarHBondContact O-N 2.88Å | ||
| 284 | H | 91.8 | Very high | 72.8 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | trans | -80.9 | 125.9 | -178.9 | 179.4 | 64 | 0 | 0 | 0 | 109.5 | T282 E286 | T282-H284 PolarHBondContact O-N 3.14Å; H284-E286 IonicContact CE1-OE1 2.73Å; H284-E286 PolarHBondContact CE1-OE1 3.36Å; H284-E286 WeakPolarHBondContact NE2-CG 3.31Å; H284-E286 IonicContact NE2-OE1 2.76Å; H284-E286 PolarHBondContact NE2-OE1 2.93Å | ||
| 285 | T | 97.6 | Very high | 75.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.5 | 179.4 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | L189 S192 Y193 Q196 I222 H223 | L189-T285 HydrophobicContact CB-CG2 4.42Å; L189-T285 HydrophobicContact CD2-CG2 3.59Å; S192-T285 WeakPolarHBondContact CB-OG1 3.39Å; S192-T285 PolarHBondContact OG-OG1 2.72Å; Y193-T285 HydrophobicContact CD1-CG2 4.18Å; Y193-T285 HydrophobicContact CD2-CG2 3.78Å; Y193-T285 HydrophobicContact CE1-CG2 3.99Å; Y193-T285 HydrophobicContact CE2-CG2 3.58Å; Y193-T285 HydrophobicContact CG-CG2 4.06Å; Q196-T285 PolarHBondContact NE2-O 3.21Å; I222-T285 WeakPolarHBondContact O-CA 3.37Å; H223-T285 HydrophobicContact CB-CG2 4.15Å |
| 286 | E | 97.9 | Very high | 78.1 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.1 | 175.5 | -72.7 | -65.8 | 155.2 | 0 | 0 | 109.9 | F103 I222 H284 Y288 | F103-E286 HydrophobicContact CE2-CG 4.34Å; F103-E286 HydrophobicContact CZ-CB 4.25Å; F103-E286 HydrophobicContact CZ-CG 3.92Å; I222-E286 HydrophobicContact CB-CB 4.4Å; I222-E286 PolarHBondContact N-O 3.25Å; I222-E286 PolarHBondContact O-N 2.9Å; H284-E286 IonicContact CE1-OE1 2.73Å; H284-E286 PolarHBondContact CE1-OE1 3.36Å; H284-E286 WeakPolarHBondContact NE2-CG 3.31Å; H284-E286 IonicContact NE2-OE1 2.76Å; H284-E286 PolarHBondContact NE2-OE1 2.93Å; E286-Y288 HydrophobicContact CB-CD2 4.36Å; E286-Y288 HydrophobicContact CB-CE2 3.65Å; E286-Y288 HydrophobicContact CG-CE2 4.24Å; E286-Y288 VanDerWaalsContact OE2-CZ 3.24Å; E286-Y288 PolarHBondContact OE2-OH 2.9Å |
| 287 | V | 98.6 | Very high | 81 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 121.2 | -179.9 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | Y193 Q196 L197 I200 L219 L220 L221 | Y193-V287 HydrophobicContact CD1-CG2 3.61Å; Y193-V287 HydrophobicContact CE1-CG2 3.82Å; Q196-V287 HydrophobicContact CB-CB 4.12Å; Q196-V287 HydrophobicContact CB-CG2 3.56Å; Q196-V287 HydrophobicContact CG-CG2 4.33Å; L197-V287 HydrophobicContact CD2-CG1 4.13Å; I200-V287 HydrophobicContact CD1-CB 4.1Å; I200-V287 HydrophobicContact CD1-CG1 3.52Å; L219-V287 HydrophobicContact CD2-CG1 3.9Å; L220-V287 WeakPolarHBondContact O-CA 3.5Å; L221-V287 HydrophobicContact CD1-CG1 4.1Å; L221-V287 HydrophobicContact CG-CG1 4.5Å; L221-V287 HydrophobicContact CG-CG2 4.26Å |
| 288 | Y | 98.5 | Very high | 83.4 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.7 | -178.3 | -62.7 | -76.8 | 0 | 0 | 0 | 112.4 | F76 L99 L219 L220 I222 E286 | F76-Y288 CarbonylContact O-C 3.53Å; F76-Y288 WeakPolarHBondContact O-CA 3.34Å; L99-Y288 HydrophobicContact CB-CD2 4.13Å; L99-Y288 HydrophobicContact CB-CE2 4.2Å; L99-Y288 HydrophobicContact CD1-CD2 3.61Å; L99-Y288 HydrophobicContact CD1-CE2 4.39Å; L99-Y288 HydrophobicContact CD1-CG 3.7Å; L99-Y288 HydrophobicContact CD2-CD1 3.93Å; L99-Y288 HydrophobicContact CD2-CD2 3.74Å; L99-Y288 HydrophobicContact CD2-CE1 3.98Å; L99-Y288 HydrophobicContact CD2-CE2 3.77Å; L99-Y288 HydrophobicContact CD2-CG 3.82Å; L99-Y288 HydrophobicContact CG-CD2 4.03Å; L99-Y288 HydrophobicContact CG-CE2 4.33Å; L99-Y288 HydrophobicContact CG-CG 4.32Å; L219-Y288 CarbonylContact C-O 3.55Å; L219-Y288 WeakPolarHBondContact CA-O 3.35Å; L220-Y288 PolarHBondContact N-O 3.39Å; L220-Y288 PolarHBondContact O-N 3.29Å; I222-Y288 HydrophobicContact CD1-CD2 4.18Å; I222-Y288 HydrophobicContact CD1-CE2 4.43Å; E286-Y288 HydrophobicContact CB-CD2 4.36Å; E286-Y288 HydrophobicContact CB-CE2 3.65Å; E286-Y288 HydrophobicContact CG-CE2 4.24Å; E286-Y288 VanDerWaalsContact OE2-CZ 3.24Å; E286-Y288 PolarHBondContact OE2-OH 2.9Å |
| 289 | L | 98.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.9 | 164.1 | -69.5 | 164.6 | 0 | 0 | 0 | 109.9 | L73 F76 I77 I200 W203 S218 L219 F292 F323 | L73-L289 HydrophobicContact CD1-CD1 3.82Å; F76-L289 HydrophobicContact CB-CD1 4.47Å; F76-L289 PolarHBondContact O-N 3.37Å; I77-L289 HydrophobicContact CG2-CB 3.97Å; I200-L289 HydrophobicContact CG2-CD1 3.99Å; I200-L289 HydrophobicContact CG2-CG 4.39Å; W203-L289 HydrophobicContact CZ3-CD1 3.89Å; S218-L289 WeakPolarHBondContact O-CA 3.49Å; L219-L289 HydrophobicContact CD2-CD2 3.34Å; L219-L289 HydrophobicContact CD2-CG 3.72Å; L219-L289 HydrophobicContact CG-CD2 3.89Å; L289-F292 HydrophobicContact CB-CE1 4.17Å; L289-F292 HydrophobicContact CB-CZ 3.63Å; L289-F292 WeakPolarHBondContact O-CE2 3.45Å; L289-F292 WeakPolarHBondContact O-CZ 3.45Å; L289-F323 HydrophobicContact CD2-CE2 3.92Å; L289-F323 HydrophobicContact CD2-CZ 3.57Å |
| 290 | I | 96.6 | Very high | 85.7 | Confident | 30 Ų | 30 | 55 Ų | 55 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 172.5 | -179 | 65.1 | 168.8 | 0 | 0 | 0 | 111.1 | P78 L99 S217 S218 L220 | P78-I290 HydrophobicContact CG-CG2 4.16Å; L99-I290 HydrophobicContact CD1-CG2 4.17Å; S217-I290 WeakPolarHBondContact CA-O 3.34Å; S217-I290 WeakPolarHBondContact CB-O 3.45Å; S218-I290 PolarHBondContact N-O 2.96Å; S218-I290 PolarHBondContact O-N 2.9Å; L220-I290 HydrophobicContact CB-CD1 4Å; L220-I290 HydrophobicContact CB-CG1 4.44Å; L220-I290 HydrophobicContact CD1-CD1 4.18Å; L220-I290 HydrophobicContact CD2-CD1 4.44Å; L220-I290 HydrophobicContact CG-CD1 4.45Å |
| 291 | D | 93.1 | Very high | 85.6 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | trans | 61.1 | 77 | 178.2 | -168.7 | 6.6 | 0 | 0 | 0 | 113 | K112 S217 V293 | K112-D291 IonicContact NZ-OD2 2.81Å; K112-D291 PolarHBondContact NZ-OD2 3.4Å; S217-D291 WeakPolarHBondContact CA-O 3.2Å; S217-D291 VanDerWaalsContact CB-O 3.29Å; S217-D291 WeakPolarHBondContact CB-O 3.42Å; S217-D291 PolarHBondContact OG-O 2.6Å; D291-V293 WeakPolarHBondContact OD1-CG2 3.32Å | ||
| 292 | F | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -100.8 | 32.4 | -178.4 | -56.4 | -77.7 | 0 | 0 | 0 | 112.7 | E54 F57 Y58 I77 L289 R294 | E54-F292 HydrophobicContact CG-CB 4.24Å; E54-F292 PolarHBondContact OE1-N 2.72Å; F57-F292 HydrophobicContact CB-CB 3.95Å; F57-F292 HydrophobicContact CD1-CB 3.4Å; F57-F292 AromaticContact CD1-CD1 3.98Å; F57-F292 HydrophobicContact CD1-CD1 3.98Å; F57-F292 AromaticContact CD1-CD2 3.48Å; F57-F292 HydrophobicContact CD1-CD2 3.48Å; F57-F292 VanDerWaalsContact CD1-CD2 3.48Å; F57-F292 HydrophobicContact CD1-CE2 4.19Å; F57-F292 AromaticContact CD1-CG 3.33Å; F57-F292 HydrophobicContact CD1-CG 3.33Å; F57-F292 HydrophobicContact CD2-CB 4.07Å; F57-F292 HydrophobicContact CD2-CD1 4.34Å; F57-F292 HydrophobicContact CD2-CG 4.3Å; F57-F292 HydrophobicContact CE1-CB 3.82Å; F57-F292 AromaticContact CE1-CD1 3.45Å; F57-F292 HydrophobicContact CE1-CD1 3.45Å; F57-F292 VanDerWaalsContact CE1-CD1 3.45Å; F57-F292 AromaticContact CE1-CD2 3.24Å; F57-F292 HydrophobicContact CE1-CD2 3.24Å; F57-F292 AromaticContact CE1-CE1 3.7Å; F57-F292 HydrophobicContact CE1-CE1 3.7Å; F57-F292 AromaticContact CE1-CE2 3.5Å; F57-F292 HydrophobicContact CE1-CE2 3.5Å; F57-F292 VanDerWaalsContact CE1-CE2 3.5Å; F57-F292 AromaticContact CE1-CG 3.19Å; F57-F292 HydrophobicContact CE1-CG 3.19Å; F57-F292 AromaticContact CE1-CZ 3.71Å; F57-F292 HydrophobicContact CE1-CZ 3.71Å; F57-F292 HydrophobicContact CE2-CB 4.42Å; F57-F292 AromaticContact CE2-CD1 3.84Å; F57-F292 HydrophobicContact CE2-CD1 3.84Å; F57-F292 HydrophobicContact CE2-CE1 4.32Å; F57-F292 HydrophobicContact CE2-CG 4.17Å; F57-F292 HydrophobicContact CG-CB 3.52Å; F57-F292 HydrophobicContact CG-CD1 4.38Å; F57-F292 HydrophobicContact CG-CD2 4.44Å; F57-F292 AromaticContact CG-CG 3.89Å; F57-F292 HydrophobicContact CG-CG 3.89Å; F57-F292 HydrophobicContact CZ-CB 4.28Å; F57-F292 AromaticContact CZ-CD1 3.34Å; F57-F292 HydrophobicContact CZ-CD1 3.34Å; F57-F292 HydrophobicContact CZ-CD2 4.04Å; F57-F292 AromaticContact CZ-CE1 3.49Å; F57-F292 HydrophobicContact CZ-CE1 3.49Å; F57-F292 VanDerWaalsContact CZ-CE1 3.49Å; F57-F292 HydrophobicContact CZ-CE2 4.17Å; F57-F292 AromaticContact CZ-CG 3.62Å; F57-F292 HydrophobicContact CZ-CG 3.62Å; F57-F292 AromaticContact CZ-CZ 3.9Å; F57-F292 HydrophobicContact CZ-CZ 3.9Å; Y58-F292 AromaticContact CE2-CD2 3.99Å; Y58-F292 HydrophobicContact CE2-CD2 3.99Å; I77-F292 HydrophobicContact CB-CE2 4.28Å; I77-F292 HydrophobicContact CB-CZ 4.42Å; I77-F292 HydrophobicContact CG2-CE2 3.82Å; I77-F292 HydrophobicContact CG2-CZ 3.49Å; I77-F292 VanDerWaalsContact CG2-CZ 3.49Å; L289-F292 HydrophobicContact CB-CE1 4.17Å; L289-F292 HydrophobicContact CB-CZ 3.63Å; L289-F292 WeakPolarHBondContact O-CE2 3.45Å; L289-F292 WeakPolarHBondContact O-CZ 3.45Å; F292-R294 PolarHBondContact O-N 2.69Å | ||
| 293 | V | 90.1 | Very high | 83.3 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -66.4 | -28.1 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | R50 R53 E54 D291 | R50-V293 HydrophobicContact CB-CG1 3.91Å; R50-V293 HydrophobicContact CG-CG1 4.21Å; R53-V293 PolarHBondContact NE-O 2.53Å; E54-V293 HydrophobicContact CB-CG2 4.18Å; D291-V293 WeakPolarHBondContact OD1-CG2 3.32Å |
| 294 | R | 90.5 | Very high | 80.8 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -122.2 | 82.7 | -177.7 | -60.2 | -63.6 | -169.2 | 107.4 | -6.2 | 110.1 | D122 F214 C215 F292 | D122-R294 IonicContact OD1-NH1 2.72Å; D122-R294 PolarHBondContact OD1-NH1 3.08Å; D122-R294 IonicContact OD2-NH1 3.46Å; D122-R294 PolarHBondContact OD2-NH1 3.19Å; F214-R294 CarbonylContact C-O 3.59Å; F214-R294 WeakPolarHBondContact CA-O 3.4Å; F214-R294 WeakPolarHBondContact CB-O 3.33Å; C215-R294 PolarHBondContact N-O 2.9Å; C215-R294 WeakPolarHBondContact O-CB 3.36Å; C215-R294 VanDerWaalsContact SG-CB 3.52Å; F292-R294 PolarHBondContact O-N 2.69Å |
| 295 | W | 93.1 | Very high | 78.3 | Confident | 48 Ų | 48 | 60 Ų | 60 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.7 | 177.4 | 75.7 | -76.5 | 0 | 0 | 0 | 110.6 | R53 M56 F57 L212 T213 F214 A297 | R53-W295 PolarHBondContact O-NE1 2.97Å; M56-W295 HydrophobicContact CB-CZ2 4.27Å; F57-W295 HydrophobicContact CB-CD2 4.1Å; F57-W295 HydrophobicContact CB-CG 4.13Å; F57-W295 HydrophobicContact CB-CZ2 4.17Å; F57-W295 HydrophobicContact CD2-CB 4.16Å; F57-W295 AromaticContact CD2-CD2 3.65Å; F57-W295 HydrophobicContact CD2-CD2 3.65Å; F57-W295 AromaticContact CD2-CE3 3.92Å; F57-W295 HydrophobicContact CD2-CE3 3.92Å; F57-W295 AromaticContact CD2-CG 3.75Å; F57-W295 HydrophobicContact CD2-CG 3.75Å; F57-W295 HydrophobicContact CG-CD2 4.36Å; F57-W295 HydrophobicContact CG-CG 4.33Å; L212-W295 HydrophobicContact CD2-CE3 4.14Å; L212-W295 HydrophobicContact CD2-CZ3 4.34Å; T213-W295 CarbonylContact O-C 3.44Å; T213-W295 VanDerWaalsContact O-CA 3.3Å; T213-W295 WeakPolarHBondContact O-CA 3.12Å; F214-W295 HydrophobicContact CB-CB 4.1Å; W295-A297 HydrophobicContact CZ3-CB 4.2Å |
| 296 | K | 91.9 | Very high | 75.5 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.9 | 168 | -61.6 | 177.1 | -176.4 | 163.3 | 0 | 110.1 | Y119 E121 T213 | Y119-K296 HydrophobicContact CD1-CD 4.04Å; Y119-K296 VanDerWaalsContact CD1-NZ 3.26Å; Y119-K296 HydrophobicContact CE1-CD 3.65Å; Y119-K296 HydrophobicContact CE1-CG 4.15Å; Y119-K296 HydrophobicContact CE2-CD 4.22Å; Y119-K296 HydrophobicContact CE2-CG 4.21Å; Y119-K296 HydrophobicContact CG-CD 4.46Å; Y119-K296 PolarHBondContact OH-N 3Å; E121-K296 IonicContact OE1-NZ 2.77Å; E121-K296 PolarHBondContact OE1-NZ 3.18Å; E121-K296 IonicContact OE2-NZ 2.92Å; T213-K296 PolarHBondContact N-O 3.01Å; T213-K296 PolarHBondContact O-N 3.2Å; T213-K296 PolarHBondContact OG1-O 3.04Å |
| 297 | A | 90.9 | Very high | 72.6 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | E211 W295 | E211-A297 CarbonylContact O-C 3.55Å; E211-A297 WeakPolarHBondContact O-CA 3.08Å; W295-A297 HydrophobicContact CZ3-CB 4.2Å |
| 298 | K | 87.2 | Confident | 69.5 | Low | 62 Ų | 62 | 74 Ų | 74 | 27% | 0.27 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -79 | 116.9 | 167.8 | -67 | -171.6 | 178 | -176 | 0 | 107.5 | A209 K210 E211 T213 T320 | A209-K298 WeakPolarHBondContact O-CD 3.3Å; A209-K298 VanDerWaalsContact O-CE 3.26Å; A209-K298 WeakPolarHBondContact O-CE 3.38Å; A209-K298 PolarHBondContact O-NZ 2.65Å; K210-K298 WeakPolarHBondContact O-CB 3.45Å; E211-K298 PolarHBondContact O-N 3.02Å; T213-K298 HydrophobicContact CG2-CD 4.22Å; T213-K298 HydrophobicContact CG2-CG 4.06Å; K298-T320 PolarHBondContact NZ-OG1 2.86Å |
| 299 | S | 71.8 | Confident | 66.6 | Low | 77 Ų | 77 | 75.3 Ų | 75.3 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 138.7 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 110 | T301 | S299-T301 PolarHBondContact O-N 2.79Å; S299-T301 VanDerWaalsContact O-N 3.17Å; S299-T301 PolarHBondContact OG-O 3.32Å |
| 300 | S | 51.4 | Low | 63.9 | Low | 122 Ų | 122 | 80.4 Ų | 80.4 | 85% | 0.853 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -65 | -12.2 | 172.6 | 50 | 0 | 0 | 0 | 0 | 113.7 | ||
| 301 | T | 43.8 | Very low | 61.7 | Low | 98 Ų | 98 | 81.5 Ų | 81.5 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | trans | -102.2 | 98.4 | 178.5 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | S299 | S299-T301 PolarHBondContact O-N 2.79Å; S299-T301 VanDerWaalsContact O-N 3.17Å; S299-T301 PolarHBondContact OG-O 3.32Å | ||
| 302 | N | 42 | Very low | 59.7 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | trans | -178 | 39.5 | 148.3 | -89.7 | -14.9 | 0 | 0 | 0 | 113.7 | N304 | N302-N304 VanDerWaalsContact C-N 3.29Š| ||
| 303 | D | 42.4 | Very low | 57.8 | Low | 133 Ų | 133 | 91.1 Ų | 91.1 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -85 | 6.5 | 168.4 | -80.8 | -25.9 | 0 | 0 | 0 | 113.9 | ||
| 304 | N | 36.1 | Very low | 56.2 | Low | 150 Ų | 150 | 93.4 Ų | 93.4 | 80% | 0.802 | 56% | 0.563 | S | S | * | * | trans | -110.3 | 2.7 | -177 | -79.7 | -11.5 | 0 | 0 | 0 | 116.7 | N302 I306 | N302-N304 VanDerWaalsContact C-N 3.29Å; N304-I306 PolarHBondContact O-N 3.28Å | ||
| 305 | D | 37.3 | Very low | 54.5 | Low | 110 Ų | 110 | 94.9 Ų | 94.9 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | trans | -87.9 | 78.9 | 169.9 | -86.8 | -12.7 | 0 | 0 | 0 | 110.3 | S307 | D305-S307 VanDerWaalsContact C-N 3.28Š| ||
| 306 | I | 38.8 | Very low | 53.2 | Low | 159 Ų | 159 | 94.3 Ų | 94.3 | 82% | 0.815 | 57% | 0.572 | S | S | * | * | trans | -83.8 | -0.6 | 171.9 | -64.4 | 178.3 | 0 | 0 | 0 | 111.7 | N304 | N304-I306 PolarHBondContact O-N 3.28Š| ||
| 307 | S | 38.8 | Very low | 52.6 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -103.5 | 97.9 | -178 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | D305 | D305-S307 VanDerWaalsContact C-N 3.28Š|
| 308 | G | 33.1 | Very low | 52.3 | Low | 80 Ų | 80 | 91.5 Ų | 91.5 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 90.5 | 120.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 309 | G | 37.8 | Very low | 52.3 | Low | 67 Ų | 67 | 89 Ų | 89 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 97.5 | 143.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S311 | G309-S311 VanDerWaalsContact O-CA 3.26Å; G309-S311 WeakPolarHBondContact O-CA 3.32Å; G309-S311 PolarHBondContact O-N 3.48Å |
| 310 | C | 40.6 | Very low | 53.1 | Low | 108 Ų | 108 | 86 Ų | 86 | 73% | 0.73 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -42.1 | 100.7 | 176.2 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 311 | S | 51.2 | Low | 55 | Low | 52 Ų | 52 | 84.1 Ų | 84.1 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | trans | -64.1 | 146.7 | -154.4 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | G309 N313 C314 | G309-S311 VanDerWaalsContact O-CA 3.26Å; G309-S311 WeakPolarHBondContact O-CA 3.32Å; G309-S311 PolarHBondContact O-N 3.48Å; S311-N313 PolarHBondContact O-N 2.79Å; S311-N313 WeakPolarHBondContact OG-CB 3.48Å; S311-N313 PolarHBondContact OG-N 2.94Å; S311-C314 VanDerWaalsContact O-CB 3.31Å; S311-C314 WeakPolarHBondContact O-CB 3.36Å; S311-C314 PolarHBondContact O-N 3.24Å | ||
| 312 | K | 49.9 | Very low | 57.4 | Low | 157 Ų | 157 | 79.6 Ų | 79.6 | 68% | 0.683 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -47.1 | -23.5 | 169.2 | -70.4 | 173.3 | -179.9 | 161.9 | 0 | 112.6 | S316 | K312-S316 PolarHBondContact O-N 2.81Å |
| 313 | N | 54.3 | Low | 59.9 | Low | 84 Ų | 84 | 75.5 Ų | 75.5 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.5 | -27.4 | 174.4 | -66.6 | -6.2 | 0 | 0 | 0 | 114.1 | S311 S316 C317 | S311-N313 PolarHBondContact O-N 2.79Å; S311-N313 WeakPolarHBondContact OG-CB 3.48Å; S311-N313 PolarHBondContact OG-N 2.94Å; N313-S316 PolarHBondContact O-OG 2.88Å; N313-S316 VanDerWaalsContact O-OG 3.08Å; N313-C317 PolarHBondContact O-N 2.9Å |
| 314 | C | 56.6 | Low | 62.5 | Low | 58 Ų | 58 | 74.2 Ų | 74.2 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.8 | -28.3 | 178.3 | -171 | 0 | 0 | 0 | 0 | 113 | S311 C317 E318 | S311-C314 VanDerWaalsContact O-CB 3.31Å; S311-C314 WeakPolarHBondContact O-CB 3.36Å; S311-C314 PolarHBondContact O-N 3.24Å; C314-C317 VanDerWaalsContact C-SG 3.52Å; C314-C317 PolarHBondContact O-SG 2.83Å; C314-E318 PolarHBondContact O-N 3.11Å |
| 315 | W | 56 | Low | 65.4 | Low | 92 Ų | 92 | 69.7 Ų | 69.7 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -89.2 | -32.7 | 179.1 | -77.1 | 106.9 | 0 | 0 | 0 | 112.8 | V116 P120 C317 E318 L319 | V116-W315 HydrophobicContact CG1-CZ3 4.44Å; P120-W315 HydrophobicContact CB-CD2 4.13Å; P120-W315 HydrophobicContact CB-CG 4.14Å; P120-W315 HydrophobicContact CG-CB 3.49Å; P120-W315 VanDerWaalsContact CG-CB 3.49Å; P120-W315 VanDerWaalsContact CG-CD1 3.46Å; P120-W315 HydrophobicContact CG-CD2 3.34Å; P120-W315 HydrophobicContact CG-CE3 3.9Å; P120-W315 HydrophobicContact CG-CG 3.14Å; W315-C317 PolarHBondContact O-N 2.92Å; W315-E318 HydrophobicContact CE3-CB 4.34Å; W315-E318 VanDerWaalsContact CE3-OE2 3.27Å; W315-E318 WeakPolarHBondContact CZ3-OE2 3.44Å; W315-E318 PolarHBondContact O-N 3.35Å; W315-L319 PolarHBondContact O-N 2.81Å |
| 316 | S | 65.7 | Low | 68.2 | Low | 36 Ų | 36 | 64.5 Ų | 64.5 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -34.3 | 170.1 | 74.9 | 0 | 0 | 0 | 0 | 110.4 | K312 N313 T320 | K312-S316 PolarHBondContact O-N 2.81Å; N313-S316 PolarHBondContact O-OG 2.88Å; N313-S316 VanDerWaalsContact O-OG 3.08Å; S316-T320 VanDerWaalsContact O-CB 3.23Å; S316-T320 WeakPolarHBondContact O-CB 3.35Å; S316-T320 PolarHBondContact O-N 2.88Å; S316-T320 VanDerWaalsContact O-N 3.13Å; S316-T320 PolarHBondContact O-OG1 3.5Å |
| 317 | C | 78.2 | Confident | 71.1 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.3 | -44.7 | 171.8 | 78.2 | 0 | 0 | 0 | 0 | 112.2 | N313 C314 W315 L319 T320 D321 | N313-C317 PolarHBondContact O-N 2.9Å; C314-C317 VanDerWaalsContact C-SG 3.52Å; C314-C317 PolarHBondContact O-SG 2.83Å; W315-C317 PolarHBondContact O-N 2.92Å; C317-L319 VanDerWaalsContact C-N 3.35Å; C317-L319 PolarHBondContact O-N 2.91Å; C317-T320 PolarHBondContact O-N 2.91Å; C317-T320 VanDerWaalsContact O-N 3.09Å; C317-D321 WeakPolarHBondContact O-CB 3.41Å; C317-D321 VanDerWaalsContact O-CG 3.24Å; C317-D321 PolarHBondContact O-N 3.44Å |
| 318 | E | 84.4 | Confident | 73.9 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.8 | -169.8 | 166.2 | -162.9 | 0 | 0 | 113.7 | V116 R135 C314 W315 G322 | V116-E318 HydrophobicContact CG1-CG 3.69Å; V116-E318 WeakPolarHBondContact CG1-OE1 3.49Å; V116-E318 HydrophobicContact CG2-CG 4.33Å; R135-E318 IonicContact CZ-OE1 2.86Å; R135-E318 IonicContact NH1-OE1 2.66Å; R135-E318 PolarHBondContact NH1-OE1 3.02Å; R135-E318 IonicContact NH2-OE1 2.72Å; R135-E318 PolarHBondContact NH2-OE1 2.79Å; C314-E318 PolarHBondContact O-N 3.11Å; W315-E318 HydrophobicContact CE3-CB 4.34Å; W315-E318 VanDerWaalsContact CE3-OE2 3.27Å; W315-E318 WeakPolarHBondContact CZ3-OE2 3.44Å; W315-E318 PolarHBondContact O-N 3.35Å; E318-G322 WeakPolarHBondContact O-CA 3.33Å; E318-G322 PolarHBondContact O-N 3.44Å |
| 319 | L | 88.2 | Confident | 77 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 172.9 | -77.3 | 163.6 | 0 | 0 | 0 | 112.2 | V116 Y119 C215 W315 C317 F323 | V116-L319 HydrophobicContact CG2-CD2 3.53Å; V116-L319 HydrophobicContact CG2-CG 3.96Å; Y119-L319 HydrophobicContact CD1-CD1 3.44Å; Y119-L319 VanDerWaalsContact CD1-CD1 3.44Å; Y119-L319 HydrophobicContact CE1-CD1 3.39Å; Y119-L319 HydrophobicContact CG-CD1 4.42Å; C215-L319 HydrophobicContact CB-CD2 3.73Å; W315-L319 PolarHBondContact O-N 2.81Å; C317-L319 VanDerWaalsContact C-N 3.35Å; C317-L319 PolarHBondContact O-N 2.91Å; L319-F323 WeakPolarHBondContact O-CB 3.46Å; L319-F323 PolarHBondContact O-N 3.36Å; L319-F323 VanDerWaalsContact O-N 3.15Å |
| 320 | T | 88.1 | Confident | 79.9 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -53.3 | -176.8 | -56.3 | 0 | 0 | 0 | 0 | 111 | Y204 A209 K298 S316 C317 G322 F323 R324 | Y204-T320 HydrophobicContact CE1-CG2 3.82Å; Y204-T320 WeakPolarHBondContact OH-CA 3.44Å; A209-T320 HydrophobicContact CB-CG2 3.46Å; A209-T320 VanDerWaalsContact CB-CG2 3.46Å; K298-T320 PolarHBondContact NZ-OG1 2.86Å; S316-T320 VanDerWaalsContact O-CB 3.23Å; S316-T320 WeakPolarHBondContact O-CB 3.35Å; S316-T320 PolarHBondContact O-N 2.88Å; S316-T320 VanDerWaalsContact O-N 3.13Å; S316-T320 PolarHBondContact O-OG1 3.5Å; C317-T320 PolarHBondContact O-N 2.91Å; C317-T320 VanDerWaalsContact O-N 3.09Å; T320-G322 VanDerWaalsContact C-N 3.3Å; T320-G322 PolarHBondContact O-N 2.87Å; T320-F323 PolarHBondContact O-N 3.41Å; T320-R324 WeakPolarHBondContact O-CB 3.43Å; T320-R324 PolarHBondContact O-N 2.9Å |
| 321 | D | 92.3 | Very high | 82.7 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.6 | -36.3 | 179.4 | -63.4 | -27.9 | 0 | 0 | 0 | 110.8 | C317 R324 H325 | C317-D321 WeakPolarHBondContact O-CB 3.41Å; C317-D321 VanDerWaalsContact O-CG 3.24Å; C317-D321 PolarHBondContact O-N 3.44Å; D321-R324 PolarHBondContact O-N 3.36Å; D321-H325 WeakPolarHBondContact O-CB 3.37Å; D321-H325 PolarHBondContact O-N 3.44Å |
| 322 | G | 93.6 | Very high | 85 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T115 E318 T320 G326 | T115-G322 WeakPolarHBondContact OG1-CA 3.48Å; E318-G322 WeakPolarHBondContact O-CA 3.33Å; E318-G322 PolarHBondContact O-N 3.44Å; T320-G322 VanDerWaalsContact C-N 3.3Å; T320-G322 PolarHBondContact O-N 2.87Å; G322-G326 PolarHBondContact O-N 3.02Å; G322-G326 VanDerWaalsContact O-N 3.11Å |
| 323 | F | 94.9 | Very high | 87.3 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 175.1 | 179.3 | -93.6 | 0 | 0 | 0 | 111.4 | M113 Y204 F214 L289 L319 T320 H325 G326 L327 | M113-F323 HydrophobicContact CB-CD2 3.41Å; M113-F323 VanDerWaalsContact CB-CD2 3.41Å; M113-F323 HydrophobicContact CB-CE2 3.48Å; M113-F323 VanDerWaalsContact CB-CE2 3.48Å; M113-F323 HydrophobicContact CG-CD2 4.17Å; M113-F323 HydrophobicContact CG-CE2 3.7Å; Y204-F323 AromaticContact CD1-CD1 3.64Å; Y204-F323 HydrophobicContact CD1-CD1 3.64Å; Y204-F323 HydrophobicContact CD1-CE1 4.06Å; Y204-F323 AromaticContact CD2-CD1 3.98Å; Y204-F323 HydrophobicContact CD2-CD1 3.98Å; Y204-F323 AromaticContact CD2-CE1 3.89Å; Y204-F323 HydrophobicContact CD2-CE1 3.89Å; Y204-F323 HydrophobicContact CE1-CB 4.3Å; Y204-F323 AromaticContact CE1-CD1 3.49Å; Y204-F323 HydrophobicContact CE1-CD1 3.49Å; Y204-F323 VanDerWaalsContact CE1-CD1 3.49Å; Y204-F323 HydrophobicContact CE1-CE1 4.29Å; Y204-F323 HydrophobicContact CE1-CG 4.32Å; Y204-F323 AromaticContact CE2-CD1 3.85Å; Y204-F323 HydrophobicContact CE2-CD1 3.85Å; Y204-F323 HydrophobicContact CE2-CE1 4.13Å; Y204-F323 AromaticContact CG-CD1 3.87Å; Y204-F323 HydrophobicContact CG-CD1 3.87Å; Y204-F323 AromaticContact CG-CE1 3.84Å; Y204-F323 HydrophobicContact CG-CE1 3.84Å; Y204-F323 AromaticContact CZ-CD1 3.58Å; F214-F323 HydrophobicContact CD2-CD2 4.35Å; F214-F323 HydrophobicContact CD2-CE2 4.48Å; F214-F323 HydrophobicContact CE2-CD1 4.41Å; F214-F323 AromaticContact CE2-CD2 3.44Å; F214-F323 HydrophobicContact CE2-CD2 3.44Å; F214-F323 VanDerWaalsContact CE2-CD2 3.44Å; F214-F323 HydrophobicContact CE2-CE1 4.28Å; F214-F323 AromaticContact CE2-CE2 3.35Å; F214-F323 HydrophobicContact CE2-CE2 3.35Å; F214-F323 HydrophobicContact CE2-CG 4.02Å; F214-F323 AromaticContact CE2-CZ 3.79Å; F214-F323 HydrophobicContact CE2-CZ 3.79Å; F214-F323 HydrophobicContact CZ-CD1 4.23Å; F214-F323 HydrophobicContact CZ-CD2 4.07Å; F214-F323 AromaticContact CZ-CE1 3.96Å; F214-F323 HydrophobicContact CZ-CE1 3.96Å; F214-F323 AromaticContact CZ-CE2 3.85Å; F214-F323 HydrophobicContact CZ-CE2 3.85Å; F214-F323 HydrophobicContact CZ-CG 4.27Å; F214-F323 AromaticContact CZ-CZ 3.78Å; F214-F323 HydrophobicContact CZ-CZ 3.78Å; L289-F323 HydrophobicContact CD2-CE2 3.92Å; L289-F323 HydrophobicContact CD2-CZ 3.57Å; L319-F323 WeakPolarHBondContact O-CB 3.46Å; L319-F323 PolarHBondContact O-N 3.36Å; L319-F323 VanDerWaalsContact O-N 3.15Å; T320-F323 PolarHBondContact O-N 3.41Å; F323-H325 VanDerWaalsContact C-N 3.35Å; F323-H325 PolarHBondContact O-N 3.37Å; F323-G326 PolarHBondContact O-N 2.96Å; F323-L327 HydrophobicContact CD1-CD1 3.99Å; F323-L327 HydrophobicContact CE1-CD1 3.41Å; F323-L327 VanDerWaalsContact CE1-CD1 3.41Å; F323-L327 HydrophobicContact CE1-CG 4.14Å; F323-L327 HydrophobicContact CZ-CD1 4.03Å; F323-L327 HydrophobicContact CZ-CG 4.36Å; F323-L327 PolarHBondContact O-N 2.89Å; F323-L327 VanDerWaalsContact O-N 3.12Å |
| 324 | R | 95.9 | Very high | 89.4 | Confident | 106 Ų | 106 | 37 Ų | 37 | 40% | 0.4 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.5 | -47.7 | 174.3 | 179.3 | -173.8 | 163.2 | -129.9 | -8.3 | 111.6 | L201 V205 T320 D321 G326 L327 E328 | L201-R324 HydrophobicContact CD1-CG 3.76Å; V205-R324 HydrophobicContact CG2-CG 4.38Å; T320-R324 WeakPolarHBondContact O-CB 3.43Å; T320-R324 PolarHBondContact O-N 2.9Å; D321-R324 PolarHBondContact O-N 3.36Å; R324-G326 VanDerWaalsContact C-N 3.27Å; R324-G326 PolarHBondContact O-N 3.41Å; R324-L327 WeakPolarHBondContact O-CB 3.46Å; R324-L327 PolarHBondContact O-N 3.24Å; R324-L327 VanDerWaalsContact O-N 3.15Å; R324-E328 IonicContact CZ-OE1 3.04Å; R324-E328 IonicContact NE-OE1 3.72Å; R324-E328 PolarHBondContact NE-OE1 3.4Å; R324-E328 IonicContact NH2-OE1 3.76Å; R324-E328 PolarHBondContact NH2-OE1 3.32Å; R324-E328 IonicContact NH2-OE2 3.2Å; R324-E328 WeakPolarHBondContact O-CG 3.31Å; R324-E328 PolarHBondContact O-N 3.05Å |
| 325 | H | 96.7 | Very high | 91.4 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 26% | 0.259 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.5 | -37.5 | 177.6 | 178.5 | 62.8 | 0 | 0 | 0 | 112.1 | E136 D321 F323 E328 T329 | E136-H325 PolarHBondContact O-NE2 2.89Å; D321-H325 WeakPolarHBondContact O-CB 3.37Å; D321-H325 PolarHBondContact O-N 3.44Å; F323-H325 VanDerWaalsContact C-N 3.35Å; F323-H325 PolarHBondContact O-N 3.37Å; H325-E328 PolarHBondContact O-N 3.12Å; H325-T329 WeakPolarHBondContact O-CB 3.37Å; H325-T329 PolarHBondContact O-N 2.88Å; H325-T329 PolarHBondContact O-OG1 3.06Å |
| 326 | G | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M113 G138 I139 G322 F323 R324 T329 L330 | M113-G326 VanDerWaalsContact CE-C 3.46Å; G138-G326 WeakPolarHBondContact O-CA 3.3Å; I139-G326 WeakPolarHBondContact CG2-O 3.24Å; G322-G326 PolarHBondContact O-N 3.02Å; G322-G326 VanDerWaalsContact O-N 3.11Å; F323-G326 PolarHBondContact O-N 2.96Å; R324-G326 VanDerWaalsContact C-N 3.27Å; R324-G326 PolarHBondContact O-N 3.41Å; G326-T329 PolarHBondContact O-N 3.06Å; G326-L330 PolarHBondContact O-N 3.35Å |
| 327 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 173.5 | -79.9 | 165.2 | 0 | 0 | 0 | 111.6 | M113 L197 I200 L201 L219 F323 R324 T329 L330 I331 | M113-L327 HydrophobicContact CE-CG 4.39Å; L197-L327 HydrophobicContact CD2-CD2 4.07Å; I200-L327 HydrophobicContact CB-CD2 4.33Å; I200-L327 HydrophobicContact CG2-CD1 4.19Å; I200-L327 HydrophobicContact CG2-CD2 4.09Å; L201-L327 HydrophobicContact CB-CD1 4.18Å; L201-L327 HydrophobicContact CD1-CB 4.21Å; L201-L327 HydrophobicContact CD1-CD1 4.09Å; L219-L327 HydrophobicContact CD1-CD2 3.5Å; L219-L327 VanDerWaalsContact CD1-CD2 3.5Å; L219-L327 HydrophobicContact CD1-CG 4.34Å; F323-L327 HydrophobicContact CD1-CD1 3.99Å; F323-L327 HydrophobicContact CE1-CD1 3.41Å; F323-L327 VanDerWaalsContact CE1-CD1 3.41Å; F323-L327 HydrophobicContact CE1-CG 4.14Å; F323-L327 HydrophobicContact CZ-CD1 4.03Å; F323-L327 HydrophobicContact CZ-CG 4.36Å; F323-L327 PolarHBondContact O-N 2.89Å; F323-L327 VanDerWaalsContact O-N 3.12Å; R324-L327 WeakPolarHBondContact O-CB 3.46Å; R324-L327 PolarHBondContact O-N 3.24Å; R324-L327 VanDerWaalsContact O-N 3.15Å; L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 3.45Å; L327-L330 PolarHBondContact O-N 2.66Å; L327-I331 WeakPolarHBondContact O-CG1 3.46Å; L327-I331 PolarHBondContact O-N 3.18Å |
| 328 | E | 98.6 | Very high | 95.8 | Very high | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | 177.8 | -70.2 | 176.5 | 174.1 | 0 | 0 | 112 | L201 R324 H325 I331 K332 | L201-E328 HydrophobicContact CD1-CG 4.47Å; L201-E328 HydrophobicContact CD2-CG 4.15Å; R324-E328 IonicContact CZ-OE1 3.04Å; R324-E328 IonicContact NE-OE1 3.72Å; R324-E328 PolarHBondContact NE-OE1 3.4Å; R324-E328 IonicContact NH2-OE1 3.76Å; R324-E328 PolarHBondContact NH2-OE1 3.32Å; R324-E328 IonicContact NH2-OE2 3.2Å; R324-E328 WeakPolarHBondContact O-CG 3.31Å; R324-E328 PolarHBondContact O-N 3.05Å; H325-E328 PolarHBondContact O-N 3.12Å; E328-I331 PolarHBondContact O-N 3.2Å; E328-K332 WeakPolarHBondContact O-CB 3.34Å; E328-K332 VanDerWaalsContact O-CG 3.28Å; E328-K332 WeakPolarHBondContact O-CG 3.46Å; E328-K332 PolarHBondContact O-N 3.44Å |
| 329 | T | 98.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | L137 I139 H325 G326 L327 I331 K332 L333 | L137-T329 HydrophobicContact CD2-CG2 4.15Å; L137-T329 VanDerWaalsContact O-CB 3.26Å; L137-T329 WeakPolarHBondContact O-CB 3.23Å; L137-T329 WeakPolarHBondContact O-CG2 3.44Å; L137-T329 PolarHBondContact O-OG1 3.28Å; I139-T329 HydrophobicContact CD1-CG2 4.01Å; I139-T329 HydrophobicContact CG1-CG2 4.31Å; H325-T329 WeakPolarHBondContact O-CB 3.37Å; H325-T329 PolarHBondContact O-N 2.88Å; H325-T329 PolarHBondContact O-OG1 3.06Å; G326-T329 PolarHBondContact O-N 3.06Å; L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 3.45Å; T329-I331 VanDerWaalsContact C-N 3.33Å; T329-I331 PolarHBondContact O-N 3.09Å; T329-K332 PolarHBondContact O-N 3.22Å; T329-L333 HydrophobicContact CG2-CD1 4.07Å; T329-L333 VanDerWaalsContact O-CG 3.3Å; T329-L333 WeakPolarHBondContact O-CG 3.38Å; T329-L333 PolarHBondContact O-N 2.89Å |
| 330 | L | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.6 | -70.6 | 173.3 | 0 | 0 | 0 | 111.7 | F111 M113 I139 L197 L219 G326 L327 K332 L333 M334 | F111-L330 HydrophobicContact CD1-CD2 4.41Å; F111-L330 HydrophobicContact CD2-CD1 4.43Å; F111-L330 HydrophobicContact CD2-CD2 3.93Å; F111-L330 HydrophobicContact CE1-CD2 4.37Å; F111-L330 HydrophobicContact CE2-CD2 3.88Å; F111-L330 HydrophobicContact CG-CD2 4.19Å; F111-L330 HydrophobicContact CZ-CD2 4.11Å; M113-L330 HydrophobicContact CE-CD1 3.97Å; M113-L330 HydrophobicContact SD-CD1 4.16Å; I139-L330 HydrophobicContact CD1-CD2 3.62Å; I139-L330 HydrophobicContact CD1-CG 4.15Å; I139-L330 HydrophobicContact CG2-CD1 4.29Å; I139-L330 HydrophobicContact CG2-CD2 4.47Å; I139-L330 HydrophobicContact CG2-CG 4.05Å; L197-L330 HydrophobicContact CD1-CB 3.84Å; L197-L330 HydrophobicContact CD2-CB 4.36Å; L197-L330 HydrophobicContact CD2-CD1 4.19Å; L219-L330 HydrophobicContact CD1-CD1 3.88Å; G326-L330 PolarHBondContact O-N 3.35Å; L327-L330 PolarHBondContact O-N 2.66Å; L330-K332 PolarHBondContact O-N 2.98Å; L330-L333 HydrophobicContact CD2-CD1 4.49Å; L330-L333 PolarHBondContact O-N 3.36Å; L330-M334 WeakPolarHBondContact O-CG 3.43Å; L330-M334 PolarHBondContact O-N 3.06Å |
| 331 | I | 98.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 176 | -69 | 163.2 | 0 | 0 | 0 | 110.8 | I194 L197 L201 L327 E328 T329 L333 M334 Q335 | I194-I331 HydrophobicContact CG2-CG2 4.4Å; L197-I331 HydrophobicContact CB-CD1 4.06Å; L197-I331 HydrophobicContact CB-CG1 3.6Å; L197-I331 HydrophobicContact CD1-CG1 4.05Å; L197-I331 HydrophobicContact CG-CG1 4.46Å; L201-I331 HydrophobicContact CD2-CD1 3.81Å; L327-I331 WeakPolarHBondContact O-CG1 3.46Å; L327-I331 PolarHBondContact O-N 3.18Å; E328-I331 PolarHBondContact O-N 3.2Å; T329-I331 VanDerWaalsContact C-N 3.33Å; T329-I331 PolarHBondContact O-N 3.09Å; I331-L333 VanDerWaalsContact C-N 3.34Å; I331-L333 PolarHBondContact O-N 2.85Å; I331-M334 PolarHBondContact O-N 3.11Å; I331-Q335 WeakPolarHBondContact O-CB 3.37Å; I331-Q335 PolarHBondContact O-N 3.13Å |
| 332 | K | 98.7 | Very high | 96.1 | Very high | 130 Ų | 130 | 38 Ų | 38 | 57% | 0.565 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -61.5 | -40.3 | 176.8 | -74.5 | 168.7 | -176.4 | 169.8 | 0 | 112.4 | E328 T329 L330 Q335 R336 | E328-K332 WeakPolarHBondContact O-CB 3.34Å; E328-K332 VanDerWaalsContact O-CG 3.28Å; E328-K332 WeakPolarHBondContact O-CG 3.46Å; E328-K332 PolarHBondContact O-N 3.44Å; T329-K332 PolarHBondContact O-N 3.22Å; L330-K332 PolarHBondContact O-N 2.98Å; K332-Q335 PolarHBondContact O-N 2.99Å; K332-R336 WeakPolarHBondContact O-CB 3.44Å; K332-R336 PolarHBondContact O-N 3.08Å |
| 333 | L | 98.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 177.2 | -71.4 | 166.1 | 0 | 0 | 0 | 111.6 | I139 V170 Y171 V175 T329 L330 I331 R336 V337 | I139-L333 HydrophobicContact CD1-CD1 3.94Å; V170-L333 HydrophobicContact CG1-CD1 3.82Å; Y171-L333 HydrophobicContact CD2-CD2 4.22Å; Y171-L333 HydrophobicContact CG-CD2 4.47Å; V175-L333 HydrophobicContact CG1-CB 4.37Å; V175-L333 HydrophobicContact CG2-CB 4.15Å; V175-L333 HydrophobicContact CG2-CD1 4.12Å; T329-L333 HydrophobicContact CG2-CD1 4.07Å; T329-L333 VanDerWaalsContact O-CG 3.3Å; T329-L333 WeakPolarHBondContact O-CG 3.38Å; T329-L333 PolarHBondContact O-N 2.89Å; L330-L333 HydrophobicContact CD2-CD1 4.49Å; L330-L333 PolarHBondContact O-N 3.36Å; I331-L333 VanDerWaalsContact C-N 3.34Å; I331-L333 PolarHBondContact O-N 2.85Å; L333-R336 WeakPolarHBondContact O-CB 3.49Å; L333-R336 PolarHBondContact O-N 2.93Å; L333-V337 PolarHBondContact O-N 3.17Å |
| 334 | M | 98.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 174.2 | -63.9 | -60.8 | 179.8 | 0 | 0 | 111.5 | V175 L179 A190 Y193 I194 L197 L221 L330 I331 R336 V337 V338 | V175-M334 HydrophobicContact CG1-CE 4.39Å; V175-M334 HydrophobicContact CG1-SD 3.99Å; L179-M334 HydrophobicContact CD1-SD 4.03Å; L179-M334 HydrophobicContact CD2-SD 4.3Å; A190-M334 HydrophobicContact CB-CB 4.35Å; Y193-M334 HydrophobicContact CD2-CE 3.8Å; Y193-M334 HydrophobicContact CD2-SD 4.12Å; Y193-M334 HydrophobicContact CE2-CE 4.45Å; Y193-M334 HydrophobicContact CG-CE 3.87Å; Y193-M334 HydrophobicContact CG-SD 4.36Å; I194-M334 HydrophobicContact CD1-CB 4.06Å; I194-M334 HydrophobicContact CG1-CB 3.61Å; L197-M334 HydrophobicContact CD1-CG 4.27Å; L221-M334 HydrophobicContact CD2-CE 3.57Å; L330-M334 WeakPolarHBondContact O-CG 3.43Å; L330-M334 PolarHBondContact O-N 3.06Å; I331-M334 PolarHBondContact O-N 3.11Å; M334-R336 VanDerWaalsContact C-N 3.28Å; M334-R336 PolarHBondContact O-N 2.78Å; M334-V337 WeakPolarHBondContact O-CB 3.49Å; M334-V337 PolarHBondContact O-N 3.17Å; M334-V338 PolarHBondContact O-N 3Å |
| 335 | Q | 98.5 | Very high | 93.1 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 176.5 | -174 | 61.2 | 53.4 | 0 | 0 | 111.4 | I194 I331 K332 V337 V338 D339 | I194-Q335 HydrophobicContact CD1-CB 4.25Å; I331-Q335 WeakPolarHBondContact O-CB 3.37Å; I331-Q335 PolarHBondContact O-N 3.13Å; K332-Q335 PolarHBondContact O-N 2.99Å; Q335-V337 PolarHBondContact O-N 2.82Å; Q335-V338 WeakPolarHBondContact O-CB 3.38Å; Q335-V338 PolarHBondContact O-N 3.47Å; Q335-V338 VanDerWaalsContact O-N 3.08Å; Q335-D339 PolarHBondContact NE2-OD1 2.94Å; Q335-D339 VanDerWaalsContact O-CG 3.27Å; Q335-D339 PolarHBondContact O-N 3.5Å |
| 336 | R | 98 | Very high | 91.5 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.3 | -34.4 | 175 | -176 | 178.6 | 172.6 | -174.8 | -3.6 | 112.6 | E168 Y171 K332 L333 M334 T340 | E168-R336 IonicContact OE1-CZ 3.39Å; E168-R336 IonicContact OE1-NH1 3.03Å; E168-R336 PolarHBondContact OE1-NH1 2.88Å; E168-R336 IonicContact OE1-NH2 3.9Å; E168-R336 PolarHBondContact OE1-NH2 3.24Å; E168-R336 IonicContact OE2-CZ 2.72Å; E168-R336 IonicContact OE2-NH1 2.86Å; E168-R336 PolarHBondContact OE2-NH1 2.81Å; E168-R336 IonicContact OE2-NH2 3.29Å; E168-R336 PolarHBondContact OE2-NH2 3.28Å; Y171-R336 HydrophobicContact CD2-CB 4.3Å; Y171-R336 HydrophobicContact CD2-CG 4.08Å; Y171-R336 HydrophobicContact CE1-CG 4.46Å; Y171-R336 HydrophobicContact CE2-CB 3.87Å; Y171-R336 HydrophobicContact CE2-CG 3.56Å; K332-R336 WeakPolarHBondContact O-CB 3.44Å; K332-R336 PolarHBondContact O-N 3.08Å; L333-R336 WeakPolarHBondContact O-CB 3.49Å; L333-R336 PolarHBondContact O-N 2.93Å; M334-R336 VanDerWaalsContact C-N 3.28Å; M334-R336 PolarHBondContact O-N 2.78Å; R336-T340 VanDerWaalsContact O-CB 3.23Å; R336-T340 WeakPolarHBondContact O-CB 3.45Å; R336-T340 PolarHBondContact O-N 2.94Å; R336-T340 PolarHBondContact O-OG1 3.4Å |
| 337 | V | 97.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | Y171 V175 L179 A190 L333 M334 Q335 D339 T340 E341 | Y171-V337 HydrophobicContact CE2-CG2 3.67Å; V175-V337 HydrophobicContact CG1-CG2 4.06Å; L179-V337 HydrophobicContact CD1-CB 4.15Å; L179-V337 HydrophobicContact CD1-CG1 3.85Å; L179-V337 HydrophobicContact CD1-CG2 3.8Å; A190-V337 HydrophobicContact CB-CB 4.12Å; A190-V337 HydrophobicContact CB-CG1 4.23Å; L333-V337 PolarHBondContact O-N 3.17Å; M334-V337 WeakPolarHBondContact O-CB 3.49Å; M334-V337 PolarHBondContact O-N 3.17Å; Q335-V337 PolarHBondContact O-N 2.82Å; V337-D339 VanDerWaalsContact C-N 3.34Å; V337-D339 PolarHBondContact O-N 2.87Å; V337-T340 PolarHBondContact O-N 2.87Å; V337-E341 HydrophobicContact CG1-CG 4.18Å; V337-E341 WeakPolarHBondContact O-CB 3.3Å; V337-E341 WeakPolarHBondContact O-CG 3.3Å; V337-E341 PolarHBondContact O-N 3.07Å |
| 338 | V | 97.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.4 | -48.2 | 177.6 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | I187 A190 Q191 I194 M334 Q335 N342 | I187-V338 HydrophobicContact CG2-CG1 4.41Å; A190-V338 HydrophobicContact CB-CG2 3.75Å; Q191-V338 HydrophobicContact CG-CG2 3.92Å; I194-V338 HydrophobicContact CD1-CG2 4.31Å; M334-V338 PolarHBondContact O-N 3Å; Q335-V338 WeakPolarHBondContact O-CB 3.38Å; Q335-V338 PolarHBondContact O-N 3.47Å; Q335-V338 VanDerWaalsContact O-N 3.08Å; V338-N342 WeakPolarHBondContact O-CB 3.27Å; V338-N342 PolarHBondContact O-N 3.37Å; V338-N342 VanDerWaalsContact O-N 3.13Å; V338-N342 PolarHBondContact O-ND2 2.84Å; V338-N342 VanDerWaalsContact O-ND2 3.11Å |
| 339 | D | 96 | Very high | 85.3 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | -176 | -59.8 | -19.3 | 0 | 0 | 0 | 112.4 | Q335 V337 S343 | Q335-D339 PolarHBondContact NE2-OD1 2.94Å; Q335-D339 VanDerWaalsContact O-CG 3.27Å; Q335-D339 PolarHBondContact O-N 3.5Å; V337-D339 VanDerWaalsContact C-N 3.34Å; V337-D339 PolarHBondContact O-N 2.87Å; D339-S343 WeakPolarHBondContact O-CB 3.12Å; D339-S343 PolarHBondContact O-N 3.41Å; D339-S343 VanDerWaalsContact O-N 3.11Å; D339-S343 PolarHBondContact O-OG 2.48Å |
| 340 | T | 92.4 | Very high | 84.6 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | -178.4 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | Y171 R336 V337 S343 A344 | Y171-T340 PolarHBondContact OH-OG1 2.85Å; R336-T340 VanDerWaalsContact O-CB 3.23Å; R336-T340 WeakPolarHBondContact O-CB 3.45Å; R336-T340 PolarHBondContact O-N 2.94Å; R336-T340 PolarHBondContact O-OG1 3.4Å; V337-T340 PolarHBondContact O-N 2.87Å; T340-S343 PolarHBondContact O-N 3.24Å; T340-A344 PolarHBondContact O-N 2.81Å |
| 341 | E | 86.7 | Confident | 83.8 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.3 | -30 | -176.8 | -66 | -55.9 | 152.2 | 0 | 0 | 112.8 | K176 R183 I187 V337 | K176-E341 VanDerWaalsContact CE-OE1 3.27Å; K176-E341 WeakPolarHBondContact CE-OE1 3.24Å; K176-E341 IonicContact NZ-OE1 2.72Å; K176-E341 PolarHBondContact NZ-OE1 2.87Å; R183-E341 WeakPolarHBondContact CD-O 3.12Å; R183-E341 HydrophobicContact CG-CB 4.14Å; R183-E341 IonicContact CZ-OE2 2.99Å; R183-E341 VanDerWaalsContact CZ-OE2 3.29Å; R183-E341 PolarHBondContact NE-O 3.39Å; R183-E341 VanDerWaalsContact NE-O 3.16Å; R183-E341 IonicContact NE-OE2 2.82Å; R183-E341 PolarHBondContact NE-OE2 3.22Å; R183-E341 IonicContact NH2-OE2 3.17Å; R183-E341 PolarHBondContact NH2-OE2 3.23Å; I187-E341 HydrophobicContact CD1-CB 3.65Å; I187-E341 HydrophobicContact CG1-CB 3.62Å; I187-E341 HydrophobicContact CG1-CG 4.39Å; V337-E341 HydrophobicContact CG1-CG 4.18Å; V337-E341 WeakPolarHBondContact O-CB 3.3Å; V337-E341 WeakPolarHBondContact O-CG 3.3Å; V337-E341 PolarHBondContact O-N 3.07Å |
| 342 | N | 84.4 | Confident | 83 | Confident | 66 Ų | 66 | 76.9 Ų | 76.9 | 35% | 0.353 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70 | -38 | 170.3 | -72.3 | -21.8 | 0 | 0 | 0 | 112.5 | V338 A344 E345 | V338-N342 WeakPolarHBondContact O-CB 3.27Å; V338-N342 PolarHBondContact O-N 3.37Å; V338-N342 VanDerWaalsContact O-N 3.13Å; V338-N342 PolarHBondContact O-ND2 2.84Å; V338-N342 VanDerWaalsContact O-ND2 3.11Å; N342-A344 VanDerWaalsContact C-N 3.32Å; N342-A344 PolarHBondContact O-N 3.48Å; N342-E345 WeakPolarHBondContact O-CB 3.38Å; N342-E345 PolarHBondContact O-N 3.4Å |
| 343 | S | 81.2 | Confident | 82.1 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | -178.6 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | D339 T340 E345 I346 E347 | D339-S343 WeakPolarHBondContact O-CB 3.12Å; D339-S343 PolarHBondContact O-N 3.41Å; D339-S343 VanDerWaalsContact O-N 3.11Å; D339-S343 PolarHBondContact O-OG 2.48Å; T340-S343 PolarHBondContact O-N 3.24Å; S343-E345 PolarHBondContact O-N 2.78Å; S343-I346 PolarHBondContact O-N 3.15Å; S343-I346 VanDerWaalsContact O-N 3.17Å; S343-E347 PolarHBondContact O-N 3.49Å |
| 344 | A | 74.7 | Confident | 81 | Confident | 25 Ų | 25 | 77.4 Ų | 77.4 | 21% | 0.207 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -76.2 | -4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R183 T340 N342 | R183-A344 PolarHBondContact NH1-O 3.44Å; T340-A344 PolarHBondContact O-N 2.81Å; N342-A344 VanDerWaalsContact C-N 3.32Å; N342-A344 PolarHBondContact O-N 3.48Å |
| 345 | E | 65.2 | Low | 79.9 | Confident | 120 Ų | 120 | 82.4 Ų | 82.4 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -79.5 | -34.9 | 165.9 | -168 | 174.9 | -174.2 | 0 | 0 | 111.1 | N342 S343 Q348 | N342-E345 WeakPolarHBondContact O-CB 3.38Å; N342-E345 PolarHBondContact O-N 3.4Å; S343-E345 PolarHBondContact O-N 2.78Å; E345-Q348 PolarHBondContact O-N 3.25Å |
| 346 | I | 63.9 | Low | 78.6 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 67% | 0.667 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.9 | -35.3 | -179.4 | -59.5 | 173.9 | 0 | 0 | 0 | 111.6 | S343 Q348 C349 | S343-I346 PolarHBondContact O-N 3.15Å; S343-I346 VanDerWaalsContact O-N 3.17Å; I346-Q348 PolarHBondContact O-N 3.24Å; I346-C349 PolarHBondContact O-N 2.77Å |
| 347 | E | 59.5 | Low | 77.1 | Confident | 172 Ų | 172 | 82.4 Ų | 82.4 | 80% | 0.804 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.3 | 179 | -68.5 | -175.6 | 170.5 | 0 | 0 | 114 | S343 | S343-E347 PolarHBondContact O-N 3.49Š|
| 348 | Q | 55.3 | Low | 75.4 | Confident | 159 Ų | 159 | 89.1 Ų | 89.1 | 74% | 0.743 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -7.4 | 179.5 | -68.8 | -177.3 | -3.8 | 0 | 0 | 113.7 | E345 I346 | E345-Q348 PolarHBondContact O-N 3.25Å; I346-Q348 PolarHBondContact O-N 3.24Å |
| 349 | C | 47.9 | Very low | 73.4 | Confident | 167 Ų | 167 | 96.4 Ų | 96.4 | 100% | 1.128 | 53% | 0.526 | S | S | * | . | trans | -97.9 | 0 | 173.9 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | I346 | I346-C349 PolarHBondContact O-N 2.77Š|
Retrieved 349 of 349 residues in 112.6 ms
(Link to these results)