| 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 | 30.7 | Very low | 71.3 | Confident | 247 Ų | 247 | 74.7 Ų | 74.7 | 100% | 1.217 | 41% | 0.405 | S | S | * | . | 0 | 99.2 | 0 | -81.3 | 175.2 | 155.8 | 0 | 0 | 107 | |||||
| 2 | G | 41.6 | Very low | 73.2 | Confident | 77 Ų | 77 | 75.9 Ų | 75.9 | 79% | 0.794 | 41% | 0.411 | S | S | * | . | trans | -66.9 | 131.3 | 175 | 0 | 0 | 0 | 0 | 0 | 108.8 | S4 | G2-S4 PolarHBondContact O-N 3.25Å; G2-S4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | K | 47.3 | Very low | 74.2 | Confident | 181 Ų | 181 | 71.5 Ų | 71.5 | 79% | 0.787 | 39% | 0.393 | S | S | * | . | trans | -58 | 115.2 | 173.5 | -71.8 | 175.1 | 178.5 | 174.1 | 0 | 107.1 | R5 | K3-R5 PolarHBondContact O-N 3.09Š| ||
| 4 | S | 50.2 | Low | 75 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 57% | 0.566 | 42% | 0.424 | S | S | * | . | trans | -58.9 | 119.6 | 176.3 | 51.3 | 0 | 0 | 0 | 0 | 108.9 | G2 L6 | G2-S4 PolarHBondContact O-N 3.25Å; G2-S4 VanDerWaalsContact O-N 3.08Å; S4-L6 PolarHBondContact O-N 2.87Å | ||
| 5 | R | 62.6 | Low | 76 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 36% | 0.362 | 42% | 0.415 | S | S | . | . | trans | -69.5 | 103.7 | 174.5 | -71.5 | -175.3 | -175.7 | -179.4 | 1.9 | 108.1 | K3 L7 D371 | K3-R5 PolarHBondContact O-N 3.09Å; R5-L7 PolarHBondContact O-N 3.17Å; R5-D371 PolarHBondContact NH2-O 3.14Å | ||
| 6 | L | 81.7 | Confident | 77.1 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -62.5 | -32.6 | -176.9 | -166.8 | 102.5 | 0 | 0 | 0 | 111.8 | S4 L30 D31 L32 L127 Q135 | S4-L6 PolarHBondContact O-N 2.87Å; L6-L30 HydrophobicContact CD2-CD1 4.05Å; L6-L30 HydrophobicContact CG-CD1 4.07Å; L6-L30 CarbonylContact O-C 3.51Å; L6-L30 WeakPolarHBondContact O-CA 3.34Å; L6-L30 WeakPolarHBondContact O-CD1 3.33Å; L6-D31 VanDerWaalsContact CD1-O 3.29Å; L6-D31 WeakPolarHBondContact CD1-O 3.18Å; L6-D31 PolarHBondContact O-N 2.89Å; L6-L32 HydrophobicContact CD1-CD2 3.97Å; L6-L32 HydrophobicContact CG-CD2 4.38Å; L6-L127 HydrophobicContact CD2-CD2 3.31Å; L6-Q135 VanDerWaalsContact CD2-OE1 3.23Å |
| 7 | L | 90.6 | Very high | 78.1 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 127.8 | -171.7 | -169.7 | 70.6 | 0 | 0 | 0 | 111 | R5 V28 L29 L30 A125 L127 V137 | R5-L7 PolarHBondContact O-N 3.17Å; L7-V28 HydrophobicContact CD1-CG1 3.5Å; L7-V28 HydrophobicContact CG-CG1 4.36Å; L7-L29 CarbonylContact C-O 3.55Å; L7-L29 WeakPolarHBondContact CA-O 3.28Å; L7-L30 HydrophobicContact CD1-CD1 4.01Å; L7-A125 HydrophobicContact CD2-CB 4.06Å; L7-A125 WeakPolarHBondContact CD2-O 3.48Å; L7-A125 HydrophobicContact CG-CB 4.31Å; L7-L127 HydrophobicContact CD2-CB 4.11Å; L7-V137 HydrophobicContact CB-CG1 4.37Å; L7-V137 HydrophobicContact CD2-CG1 3.99Å; L7-V137 HydrophobicContact CG-CG1 3.86Å |
| 8 | E | 92.9 | Very high | 79 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.9 | -179.2 | -177.3 | 168.1 | -163.7 | 0 | 0 | 111.6 | V28 L29 | E8-V28 CarbonylContact O-C 3.54Å; E8-V28 VanDerWaalsContact O-CA 3.28Å; E8-V28 WeakPolarHBondContact O-CA 3.34Å; E8-L29 HydrophobicContact CB-CB 4.37Å; E8-L29 PolarHBondContact N-O 2.76Å; E8-L29 PolarHBondContact O-N 2.85Å |
| 9 | I | 95 | Very high | 79.9 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.8 | 171.9 | -59.3 | 161.7 | 0 | 0 | 0 | 107.7 | F11 V28 L43 F100 C123 A125 V137 R139 | I9-F11 HydrophobicContact CG2-CZ 4.41Å; I9-V28 HydrophobicContact CG1-CG2 4.39Å; I9-L43 HydrophobicContact CD1-CD1 4.4Å; I9-F100 HydrophobicContact CG2-CE1 4Å; I9-F100 HydrophobicContact CG2-CZ 3.94Å; I9-C123 HydrophobicContact CD1-CB 4.01Å; I9-C123 HydrophobicContact CG2-CB 4.46Å; I9-A125 HydrophobicContact CD1-CB 3.91Å; I9-A125 HydrophobicContact CG1-CB 3.69Å; I9-V137 HydrophobicContact CD1-CG1 4.07Å; I9-V137 HydrophobicContact CG1-CG1 3.95Å; I9-R139 HydrophobicContact CB-CB 4.06Å; I9-R139 HydrophobicContact CD1-CB 3.88Å; I9-R139 HydrophobicContact CG2-CB 4.35Å; I9-R139 WeakPolarHBondContact O-CD 3.32Å; I9-R139 PolarHBondContact O-NH1 3.17Å |
| 10 | C | 95.2 | Very high | 80.6 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.7 | 174.3 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | G26 K27 | C10-G26 CarbonylContact O-C 3.49Å; C10-G26 WeakPolarHBondContact O-CA 3.3Å; C10-K27 HydrophobicContact CB-CG 4.14Å; C10-K27 PolarHBondContact N-O 3.34Å; C10-K27 PolarHBondContact O-N 2.78Å |
| 11 | F | 96.3 | Very high | 81.2 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 152.4 | 167.3 | -59.8 | -68.8 | 0 | 0 | 0 | 109.8 | I9 G13 D16 F18 V24 F100 C123 R139 F141 | I9-F11 HydrophobicContact CG2-CZ 4.41Å; F11-G13 VanDerWaalsContact C-N 3.31Å; F11-D16 HydrophobicContact CD2-CB 4.26Å; F11-D16 WeakPolarHBondContact CD2-OD1 3.28Å; F11-F18 HydrophobicContact CB-CZ 3.85Å; F11-F18 HydrophobicContact CD1-CE2 4.29Å; F11-F18 HydrophobicContact CD1-CZ 4.14Å; F11-F18 HydrophobicContact CD2-CE2 4.33Å; F11-F18 HydrophobicContact CD2-CZ 4.38Å; F11-F18 HydrophobicContact CG-CE2 4.15Å; F11-F18 AromaticContact CG-CZ 3.87Å; F11-F18 HydrophobicContact CG-CZ 3.87Å; F11-V24 HydrophobicContact CD1-CG1 3.65Å; F11-V24 HydrophobicContact CE1-CG1 3.86Å; F11-F100 HydrophobicContact CD1-CE2 4.01Å; F11-F100 AromaticContact CD1-CZ 3.93Å; F11-F100 HydrophobicContact CD1-CZ 3.93Å; F11-F100 HydrophobicContact CE1-CE2 4.07Å; F11-F100 HydrophobicContact CE1-CZ 4.02Å; F11-C123 HydrophobicContact CZ-CB 4.31Å; F11-R139 HydrophobicContact CE2-CG 3.99Å; F11-F141 HydrophobicContact CE2-CB 3.93Å; F11-F141 HydrophobicContact CE2-CD1 4.43Å; F11-F141 HydrophobicContact CZ-CB 4.07Å; F11-F141 AromaticContact CZ-CD1 3.77Å; F11-F141 HydrophobicContact CZ-CD1 3.77Å; F11-F141 HydrophobicContact CZ-CG 4.15Å |
| 12 | D | 94.3 | Very high | 84.2 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76.1 | -21.9 | 179 | -68.7 | -26.1 | 0 | 0 | 0 | 112.7 | S25 G26 | D12-S25 WeakPolarHBondContact CB-OG 3.42Å; D12-S25 PolarHBondContact N-O 2.73Å; D12-S25 WeakPolarHBondContact OD2-CB 3.31Å; D12-S25 PolarHBondContact OD2-OG 3.48Å; D12-G26 PolarHBondContact OD2-N 2.89Å |
| 13 | G | 86.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 47 Ų | 47 | 19% | 0.186 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -71.7 | 156.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F11 V15 | F11-G13 VanDerWaalsContact C-N 3.31Å; G13-V15 PolarHBondContact O-N 2.81Å |
| 14 | P | 85.2 | Confident | 89 | Confident | 126 Ų | 126 | 38.3 Ų | 38.3 | 82% | 0.818 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -71 | -18.7 | 179.8 | 30.3 | -36 | 0 | 0 | 0 | 113.2 | ||
| 15 | V | 89.6 | Confident | 91.2 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -136.5 | 148.3 | 177.9 | -65.1 | 0 | 0 | 0 | 0 | 109.6 | G13 A17 Y351 | G13-V15 PolarHBondContact O-N 2.81Å; V15-A17 HydrophobicContact CG2-CB 4.18Å; V15-A17 PolarHBondContact O-N 2.9Å; V15-Y351 HydrophobicContact CG2-CD2 3.7Å; V15-Y351 HydrophobicContact CG2-CE2 4.07Å; V15-Y351 HydrophobicContact CG2-CG 3.97Å |
| 16 | D | 92.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 32 Ų | 32 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -81.9 | 50 | 178.6 | -65.8 | -0.6 | 0 | 0 | 0 | 110.7 | F11 R139 F141 T142 | F11-D16 HydrophobicContact CD2-CB 4.26Å; F11-D16 WeakPolarHBondContact CD2-OD1 3.28Å; D16-R139 IonicContact OD1-NH2 2.75Å; D16-R139 IonicContact OD2-CZ 3.31Å; D16-R139 VanDerWaalsContact OD2-CZ 3.24Å; D16-R139 IonicContact OD2-NE 3.74Å; D16-R139 PolarHBondContact OD2-NE 3.03Å; D16-R139 IonicContact OD2-NH2 3.24Å; D16-R139 PolarHBondContact OD2-NH2 3.03Å; D16-F141 HydrophobicContact CB-CB 4.38Å; D16-T142 PolarHBondContact O-N 2.91Å |
| 17 | A | 94.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 125.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V15 T142 Y351 L379 | V15-A17 HydrophobicContact CG2-CB 4.18Å; V15-A17 PolarHBondContact O-N 2.9Å; A17-T142 CarbonylContact C-O 3.56Å; A17-T142 WeakPolarHBondContact CA-O 3.47Å; A17-Y351 HydrophobicContact CB-CD1 3.5Å; A17-Y351 VanDerWaalsContact CB-CD1 3.5Å; A17-Y351 HydrophobicContact CB-CE1 3.58Å; A17-Y351 HydrophobicContact CB-CG 4.27Å; A17-L379 HydrophobicContact CB-CB 4.07Å; A17-L379 HydrophobicContact CB-CD1 4.34Å |
| 18 | F | 94.8 | Very high | 93.9 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.5 | -171.2 | -52.3 | -80.1 | 0 | 0 | 0 | 110.3 | F11 V24 L104 F141 T142 V143 V144 | F11-F18 HydrophobicContact CB-CZ 3.85Å; F11-F18 HydrophobicContact CD1-CE2 4.29Å; F11-F18 HydrophobicContact CD1-CZ 4.14Å; F11-F18 HydrophobicContact CD2-CE2 4.33Å; F11-F18 HydrophobicContact CD2-CZ 4.38Å; F11-F18 HydrophobicContact CG-CE2 4.15Å; F11-F18 AromaticContact CG-CZ 3.87Å; F11-F18 HydrophobicContact CG-CZ 3.87Å; F18-V24 HydrophobicContact CB-CG2 4.01Å; F18-V24 HydrophobicContact CD1-CG1 4.35Å; F18-V24 HydrophobicContact CD1-CG2 3.93Å; F18-V24 HydrophobicContact CD2-CG1 4.27Å; F18-V24 HydrophobicContact CD2-CG2 4.07Å; F18-V24 HydrophobicContact CE1-CG1 4.07Å; F18-V24 HydrophobicContact CE1-CG2 4.47Å; F18-V24 HydrophobicContact CE2-CG1 3.98Å; F18-V24 HydrophobicContact CG-CG1 4.45Å; F18-V24 HydrophobicContact CG-CG2 3.71Å; F18-V24 HydrophobicContact CZ-CG1 3.9Å; F18-L104 HydrophobicContact CB-CD1 3.79Å; F18-F141 HydrophobicContact CD2-CB 4.31Å; F18-F141 AromaticContact CD2-CD2 3.86Å; F18-F141 HydrophobicContact CD2-CD2 3.86Å; F18-F141 HydrophobicContact CD2-CG 4.37Å; F18-F141 HydrophobicContact CE2-CB 4.09Å; F18-F141 HydrophobicContact CE2-CD2 4.35Å; F18-F141 HydrophobicContact CE2-CG 4.43Å; F18-T142 PolarHBondContact N-O 3.01Å; F18-V143 CarbonylContact O-C 3.54Å; F18-V143 WeakPolarHBondContact O-CA 3.48Å; F18-V144 PolarHBondContact O-N 2.98Å |
| 19 | Y | 95 | Very high | 94.1 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 147.5 | 173.4 | -79 | -89.3 | 0 | 0 | 0 | 111.2 | T22 V144 I146 T306 V307 P338 L341 Y351 P381 Y383 | Y19-T22 WeakPolarHBondContact O-CB 3.45Å; Y19-T22 WeakPolarHBondContact O-CG2 3.25Å; Y19-T22 PolarHBondContact O-N 2.85Å; Y19-T22 PolarHBondContact O-OG1 2.81Å; Y19-V144 CarbonylContact C-O 3.56Å; Y19-V144 VanDerWaalsContact CA-O 3.31Å; Y19-V144 WeakPolarHBondContact CA-O 3.48Å; Y19-V144 HydrophobicContact CD1-CB 3.89Å; Y19-V144 HydrophobicContact CD1-CG1 3.71Å; Y19-V144 WeakPolarHBondContact CD1-O 3.42Å; Y19-V144 HydrophobicContact CE1-CB 4.15Å; Y19-V144 HydrophobicContact CE1-CG1 3.53Å; Y19-V144 HydrophobicContact CG-CB 4.27Å; Y19-I146 HydrophobicContact CD1-CG1 3.98Å; Y19-T306 PolarHBondContact OH-O 3.4Å; Y19-V307 HydrophobicContact CE1-CG2 4.29Å; Y19-P338 HydrophobicContact CD2-CG 3.78Å; Y19-P338 HydrophobicContact CE2-CG 4.44Å; Y19-P338 HydrophobicContact CG-CG 3.83Å; Y19-L341 HydrophobicContact CD2-CD1 3.99Å; Y19-L341 HydrophobicContact CE2-CD1 3.4Å; Y19-L341 VanDerWaalsContact CE2-CD1 3.4Å; Y19-Y351 VanDerWaalsContact CE2-OH 3.25Å; Y19-Y351 WeakPolarHBondContact CE2-OH 3.4Å; Y19-P381 HydrophobicContact CE1-CG 4.48Å; Y19-P381 VanDerWaalsContact OH-CB 3.3Å; Y19-P381 WeakPolarHBondContact OH-CB 3.31Å; Y19-P381 VanDerWaalsContact OH-CG 3.3Å; Y19-P381 WeakPolarHBondContact OH-CG 3.37Å; Y19-Y383 PolarHBondContact OH-OH 2.74Å |
| 20 | A | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 144.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T22 L108 V143 V144 | A20-T22 VanDerWaalsContact C-N 3.29Å; A20-T22 PolarHBondContact O-N 3.18Å; A20-L108 HydrophobicContact CB-CB 4.13Å; A20-V143 HydrophobicContact CB-CG1 4.38Å; A20-V144 PolarHBondContact N-O 3.43Å |
| 21 | G | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -11.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R103 L104 R105 D106 | G21-R103 PolarHBondContact O-NE 2.9Å; G21-R103 PolarHBondContact O-NH2 3.46Å; G21-R103 VanDerWaalsContact O-NH2 3.08Å; G21-L104 CarbonylContact C-O 3.5Å; G21-L104 WeakPolarHBondContact CA-O 3.49Å; G21-L104 PolarHBondContact N-O 3.17Å; G21-R105 PolarHBondContact N-O 3.31Å; G21-R105 VanDerWaalsContact N-O 3.1Å; G21-D106 WeakPolarHBondContact CA-OD1 3.46Å |
| 22 | T | 92.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | trans | -82.9 | 160.4 | -179 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | Y19 A20 L104 P338 | Y19-T22 WeakPolarHBondContact O-CB 3.45Å; Y19-T22 WeakPolarHBondContact O-CG2 3.25Å; Y19-T22 PolarHBondContact O-N 2.85Å; Y19-T22 PolarHBondContact O-OG1 2.81Å; A20-T22 VanDerWaalsContact C-N 3.29Å; A20-T22 PolarHBondContact O-N 3.18Å; T22-L104 PolarHBondContact O-N 3.13Å; T22-P338 HydrophobicContact CG2-CB 3.68Å; T22-P338 HydrophobicContact CG2-CG 4.18Å | ||
| 23 | Q | 95.1 | Very high | 93.4 | Very high | 115 Ų | 115 | 30.5 Ų | 30.5 | 54% | 0.537 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.6 | 166.8 | -74.3 | -176.7 | -35.6 | 0 | 0 | 110.2 | L101 F102 R103 | Q23-L101 HydrophobicContact CB-CD1 3.99Å; Q23-L101 HydrophobicContact CG-CD1 4.5Å; Q23-F102 WeakPolarHBondContact CA-O 3.49Å; Q23-R103 HydrophobicContact CG-CB 4.27Å; Q23-R103 HydrophobicContact CG-CG 4.24Å |
| 24 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.7 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | F11 F18 L101 F102 L104 | F11-V24 HydrophobicContact CD1-CG1 3.65Å; F11-V24 HydrophobicContact CE1-CG1 3.86Å; F18-V24 HydrophobicContact CB-CG2 4.01Å; F18-V24 HydrophobicContact CD1-CG1 4.35Å; F18-V24 HydrophobicContact CD1-CG2 3.93Å; F18-V24 HydrophobicContact CD2-CG1 4.27Å; F18-V24 HydrophobicContact CD2-CG2 4.07Å; F18-V24 HydrophobicContact CE1-CG1 4.07Å; F18-V24 HydrophobicContact CE1-CG2 4.47Å; F18-V24 HydrophobicContact CE2-CG1 3.98Å; F18-V24 HydrophobicContact CG-CG1 4.45Å; F18-V24 HydrophobicContact CG-CG2 3.71Å; F18-V24 HydrophobicContact CZ-CG1 3.9Å; V24-L101 WeakPolarHBondContact O-CA 3.29Å; V24-F102 HydrophobicContact CB-CD2 4.16Å; V24-F102 HydrophobicContact CB-CE1 4.04Å; V24-F102 HydrophobicContact CB-CE2 3.62Å; V24-F102 HydrophobicContact CB-CZ 3.56Å; V24-F102 HydrophobicContact CG1-CE1 3.96Å; V24-F102 HydrophobicContact CG1-CE2 4.11Å; V24-F102 HydrophobicContact CG1-CZ 3.55Å; V24-F102 HydrophobicContact CG2-CE2 3.86Å; V24-F102 HydrophobicContact CG2-CZ 4.16Å; V24-F102 PolarHBondContact N-O 2.99Å; V24-F102 PolarHBondContact O-N 2.9Å; V24-F102 VanDerWaalsContact O-N 3.08Å; V24-L104 HydrophobicContact CG2-CD1 3.85Å; V24-L104 HydrophobicContact CG2-CG 3.92Å |
| 25 | S | 96.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 34.2 Ų | 34.2 | 30% | 0.301 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 155.6 | 174.1 | 64 | 0 | 0 | 0 | 0 | 111.4 | D12 F100 | D12-S25 WeakPolarHBondContact CB-OG 3.42Å; D12-S25 PolarHBondContact N-O 2.73Å; D12-S25 WeakPolarHBondContact OD2-CB 3.31Å; D12-S25 PolarHBondContact OD2-OG 3.48Å; S25-F100 WeakPolarHBondContact CA-O 3.43Å |
| 26 | G | 97.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | -163.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C10 D12 R99 F100 | C10-G26 CarbonylContact O-C 3.49Å; C10-G26 WeakPolarHBondContact O-CA 3.3Å; D12-G26 PolarHBondContact OD2-N 2.89Å; G26-R99 WeakPolarHBondContact O-CA 3.39Å; G26-F100 VanDerWaalsContact C-CE1 3.48Å; G26-F100 PolarHBondContact N-O 3.32Å; G26-F100 PolarHBondContact O-N 2.92Å |
| 27 | K | 96.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146 | 178.5 | 58.3 | -173.8 | 179.5 | 174.2 | 0 | 112.4 | C10 L29 E97 F98 R99 F100 | C10-K27 HydrophobicContact CB-CG 4.14Å; C10-K27 PolarHBondContact N-O 3.34Å; C10-K27 PolarHBondContact O-N 2.78Å; K27-L29 HydrophobicContact CD-CD2 3.86Å; K27-L29 HydrophobicContact CG-CD2 4.13Å; K27-L29 HydrophobicContact CG-CG 4.46Å; K27-E97 IonicContact NZ-OE1 3.43Å; K27-E97 PolarHBondContact NZ-OE1 2.84Å; K27-E97 IonicContact NZ-OE2 2.76Å; K27-E97 PolarHBondContact NZ-OE2 2.96Å; K27-F98 CarbonylContact C-O 3.53Å; K27-F98 WeakPolarHBondContact CA-O 3.44Å; K27-R99 HydrophobicContact CB-CG 4.33Å; K27-F100 VanDerWaalsContact C-CE1 3.47Å; K27-F100 VanDerWaalsContact N-CE1 3.26Å |
| 28 | V | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.3 | 164.2 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | L7 E8 I9 I41 L43 L76 F98 F100 A125 | L7-V28 HydrophobicContact CD1-CG1 3.5Å; L7-V28 HydrophobicContact CG-CG1 4.36Å; E8-V28 CarbonylContact O-C 3.54Å; E8-V28 VanDerWaalsContact O-CA 3.28Å; E8-V28 WeakPolarHBondContact O-CA 3.34Å; I9-V28 HydrophobicContact CG1-CG2 4.39Å; V28-I41 HydrophobicContact CG1-CG2 4.24Å; V28-L43 HydrophobicContact CG2-CD1 4.12Å; V28-L76 HydrophobicContact CB-CD1 4.1Å; V28-L76 HydrophobicContact CG2-CD1 3.58Å; V28-F98 HydrophobicContact CB-CB 4.41Å; V28-F98 PolarHBondContact N-O 3.04Å; V28-F98 PolarHBondContact O-N 3.36Å; V28-F100 HydrophobicContact CG2-CD1 4.03Å; V28-F100 HydrophobicContact CG2-CE1 4.12Å; V28-A125 HydrophobicContact CG1-CB 3.83Å; V28-A125 HydrophobicContact CG2-CB 3.83Å |
| 29 | L | 95.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.2 | 175.1 | -60.3 | -179.9 | 0 | 0 | 0 | 109.3 | L7 E8 K27 H96 E97 | L7-L29 CarbonylContact C-O 3.55Å; L7-L29 WeakPolarHBondContact CA-O 3.28Å; E8-L29 HydrophobicContact CB-CB 4.37Å; E8-L29 PolarHBondContact N-O 2.76Å; E8-L29 PolarHBondContact O-N 2.85Å; K27-L29 HydrophobicContact CD-CD2 3.86Å; K27-L29 HydrophobicContact CG-CD2 4.13Å; K27-L29 HydrophobicContact CG-CG 4.46Å; L29-H96 WeakPolarHBondContact CA-O 3Å; L29-E97 HydrophobicContact CD2-CB 4.15Å; L29-E97 HydrophobicContact CD2-CG 3.57Å |
| 30 | L | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 109.3 | 173.7 | -179.9 | 79.3 | 0 | 0 | 0 | 109.4 | L6 L7 L32 I41 L91 I95 H96 F98 L127 | L6-L30 HydrophobicContact CD2-CD1 4.05Å; L6-L30 HydrophobicContact CG-CD1 4.07Å; L6-L30 CarbonylContact O-C 3.51Å; L6-L30 WeakPolarHBondContact O-CA 3.34Å; L6-L30 WeakPolarHBondContact O-CD1 3.33Å; L7-L30 HydrophobicContact CD1-CD1 4.01Å; L30-L32 HydrophobicContact CD1-CD2 4.07Å; L30-L32 HydrophobicContact CD2-CD1 3.9Å; L30-L32 HydrophobicContact CD2-CD2 3.89Å; L30-L32 HydrophobicContact CD2-CG 3.87Å; L30-L32 HydrophobicContact CG-CD1 4.5Å; L30-L32 HydrophobicContact CG-CD2 3.85Å; L30-L32 HydrophobicContact CG-CG 3.92Å; L30-I41 HydrophobicContact CD2-CD1 4.04Å; L30-L91 HydrophobicContact CD2-CD1 3.7Å; L30-I95 WeakPolarHBondContact O-CA 3.07Å; L30-H96 HydrophobicContact CB-CB 4.36Å; L30-H96 PolarHBondContact N-O 3.31Å; L30-H96 PolarHBondContact O-N 2.91Å; L30-F98 HydrophobicContact CB-CE2 4.06Å; L30-F98 HydrophobicContact CD2-CE2 4.32Å; L30-L127 HydrophobicContact CD1-CD1 4.11Å; L30-L127 HydrophobicContact CD1-CD2 3.62Å; L30-L127 HydrophobicContact CD1-CG 4.4Å; L30-L127 HydrophobicContact CD2-CD1 4.39Å |
| 31 | D | 93.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109 | 175.4 | -175.4 | 11.4 | 0 | 0 | 0 | 110.5 | L6 I95 | L6-D31 VanDerWaalsContact CD1-O 3.29Å; L6-D31 WeakPolarHBondContact CD1-O 3.18Å; L6-D31 PolarHBondContact O-N 2.89Å; D31-I95 HydrophobicContact CB-CG1 4.35Å |
| 32 | L | 90.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.4 | -178.9 | -64.3 | -178.6 | 0 | 0 | 0 | 110.7 | L6 L30 E34 Q36 L91 K93 G94 | L6-L32 HydrophobicContact CD1-CD2 3.97Å; L6-L32 HydrophobicContact CG-CD2 4.38Å; L30-L32 HydrophobicContact CD1-CD2 4.07Å; L30-L32 HydrophobicContact CD2-CD1 3.9Å; L30-L32 HydrophobicContact CD2-CD2 3.89Å; L30-L32 HydrophobicContact CD2-CG 3.87Å; L30-L32 HydrophobicContact CG-CD1 4.5Å; L30-L32 HydrophobicContact CG-CD2 3.85Å; L30-L32 HydrophobicContact CG-CG 3.92Å; L32-E34 PolarHBondContact O-N 2.79Å; L32-Q36 HydrophobicContact CD1-CB 4.39Å; L32-Q36 HydrophobicContact CD2-CB 4.38Å; L32-Q36 HydrophobicContact CD2-CG 4.33Å; L32-L91 HydrophobicContact CD1-CB 3.53Å; L32-L91 HydrophobicContact CD1-CD1 4.35Å; L32-K93 WeakPolarHBondContact O-CA 3.35Å; L32-K93 WeakPolarHBondContact O-CG 3.47Å; L32-G94 PolarHBondContact N-O 2.87Å; L32-G94 PolarHBondContact O-N 2.98Å |
| 33 | G | 88.4 | Confident | 93.5 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 54% | 0.536 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -68.4 | -18.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K93 | G33-K93 VanDerWaalsContact O-CD 3.28Å; G33-K93 WeakPolarHBondContact O-CD 3.42Å; G33-K93 WeakPolarHBondContact O-CE 3.41Å; G33-K93 WeakPolarHBondContact O-CG 3.46Å |
| 34 | E | 89.7 | Confident | 93.6 | Very high | 115 Ų | 115 | 40.5 Ų | 40.5 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -150 | 166.3 | -179.6 | 63.5 | -179 | -178 | 0 | 0 | 110.4 | L32 Q36 | L32-E34 PolarHBondContact O-N 2.79Å; E34-Q36 HydrophobicContact CG-CG 4.03Å; E34-Q36 PolarHBondContact O-N 2.97Å |
| 35 | N | 90.2 | Very high | 93.7 | Very high | 108 Ų | 108 | 40.8 Ų | 40.8 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | trans | -64.7 | 127.1 | 175 | -61.9 | -4.9 | 0 | 0 | 0 | 109.9 | I90 L91 G92 K93 | N35-I90 HydrophobicContact CB-CG2 4.16Å; N35-L91 CarbonylContact C-O 3.49Å; N35-L91 VanDerWaalsContact CA-O 3.28Å; N35-L91 WeakPolarHBondContact CA-O 3.41Å; N35-G92 VanDerWaalsContact OD1-CA 3.31Å; N35-G92 WeakPolarHBondContact OD1-CA 3.12Å; N35-K93 PolarHBondContact OD1-N 2.8Å | ||
| 36 | Q | 88.6 | Confident | 93.7 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.8 | -178.5 | -66 | -169.9 | 20.4 | 0 | 0 | 111.7 | L32 E34 I90 L91 | L32-Q36 HydrophobicContact CD1-CB 4.39Å; L32-Q36 HydrophobicContact CD2-CB 4.38Å; L32-Q36 HydrophobicContact CD2-CG 4.33Å; E34-Q36 HydrophobicContact CG-CG 4.03Å; E34-Q36 PolarHBondContact O-N 2.97Å; Q36-I90 WeakPolarHBondContact O-CA 2.99Å; Q36-L91 PolarHBondContact N-O 2.9Å; Q36-L91 PolarHBondContact O-N 3.33Å |
| 37 | K | 90.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 39.6 Ų | 39.6 | 52% | 0.522 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 122.1 | 167.1 | -73.6 | -179 | -179.6 | -177.2 | 0 | 109.3 | L89 I90 P130 | K37-L89 WeakPolarHBondContact CA-O 3.47Å; K37-I90 HydrophobicContact CG-CD1 4.46Å; K37-I90 HydrophobicContact CG-CG1 3.68Å; K37-P130 HydrophobicContact CB-CG 4.03Å; K37-P130 VanDerWaalsContact O-CD 3.25Å; K37-P130 WeakPolarHBondContact O-CD 3.12Å |
| 38 | V | 90.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.2 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | I41 F77 S88 L89 L91 L127 | V38-I41 HydrophobicContact CG1-CD1 4.29Å; V38-I41 HydrophobicContact CG1-CG1 3.93Å; V38-F77 HydrophobicContact CB-CE1 4.17Å; V38-F77 HydrophobicContact CG1-CD1 3.96Å; V38-F77 HydrophobicContact CG1-CE1 4.02Å; V38-S88 CarbonylContact O-C 3.54Å; V38-S88 VanDerWaalsContact O-CA 3.3Å; V38-S88 WeakPolarHBondContact O-CA 3.34Å; V38-L89 PolarHBondContact N-O 2.82Å; V38-L89 PolarHBondContact O-N 2.85Å; V38-L91 HydrophobicContact CB-CD1 4.13Å; V38-L91 HydrophobicContact CB-CG 4.39Å; V38-L91 HydrophobicContact CG1-CD1 4.45Å; V38-L91 HydrophobicContact CG2-CB 4.49Å; V38-L91 HydrophobicContact CG2-CD1 3.84Å; V38-L91 HydrophobicContact CG2-CG 4.23Å; V38-L127 HydrophobicContact CB-CD1 4.49Å; V38-L127 HydrophobicContact CG1-CD1 3.65Å; V38-L127 HydrophobicContact CG2-CD1 4.06Å |
| 39 | Q | 91.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 38.2 Ų | 38.2 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | trans | -84 | -48.2 | 177.6 | -78.5 | 172.2 | -24.5 | 0 | 0 | 111.5 | G78 G79 G87 H128 P130 | Q39-G78 WeakPolarHBondContact O-CA 3.24Å; Q39-G79 PolarHBondContact O-N 3.26Å; Q39-G87 WeakPolarHBondContact CA-O 3.29Å; Q39-H128 HydrophobicContact CB-CB 4.29Å; Q39-H128 PolarHBondContact N-O 3.28Å; Q39-P130 HydrophobicContact CG-CG 3.84Å | ||
| 40 | A | 92.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 151.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | K42 F77 H128 | A40-K42 HydrophobicContact CB-CG 4.3Å; A40-F77 CarbonylContact C-O 3.56Å; A40-F77 WeakPolarHBondContact CA-O 3.47Å; A40-H128 HydrophobicContact CB-CB 4.22Å; A40-H128 PolarHBondContact N-O 2.99Å; A40-H128 WeakPolarHBondContact O-CB 3.38Å; A40-H128 PolarHBondContact O-N 2.73Å |
| 41 | I | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.7 | 163.7 | -58.5 | 171.8 | 0 | 0 | 0 | 106.2 | V28 L30 V38 L76 F77 F98 S126 L127 | V28-I41 HydrophobicContact CG1-CG2 4.24Å; L30-I41 HydrophobicContact CD2-CD1 4.04Å; V38-I41 HydrophobicContact CG1-CD1 4.29Å; V38-I41 HydrophobicContact CG1-CG1 3.93Å; I41-L76 PolarHBondContact O-N 3.26Å; I41-F77 HydrophobicContact CB-CB 4.06Å; I41-F77 HydrophobicContact CD1-CB 4.17Å; I41-F77 HydrophobicContact CD1-CD1 4.33Å; I41-F77 HydrophobicContact CG1-CB 4.25Å; I41-F77 HydrophobicContact CG1-CD1 4.44Å; I41-F77 PolarHBondContact N-O 3.19Å; I41-F77 PolarHBondContact O-N 3.08Å; I41-F98 HydrophobicContact CD1-CD1 4.43Å; I41-F98 HydrophobicContact CD1-CD2 3.57Å; I41-F98 HydrophobicContact CD1-CE1 4.09Å; I41-F98 HydrophobicContact CD1-CE2 3.15Å; I41-F98 HydrophobicContact CD1-CG 4.2Å; I41-F98 HydrophobicContact CD1-CZ 3.44Å; I41-F98 VanDerWaalsContact CD1-CZ 3.44Å; I41-S126 WeakPolarHBondContact CA-O 3.41Å; I41-L127 HydrophobicContact CD1-CD1 4.32Å; I41-L127 HydrophobicContact CG1-CD1 3.84Å |
| 42 | K | 95.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.7 | -177.8 | -51.2 | -176.2 | 178.9 | 178.9 | 0 | 110.3 | A40 T73 E74 V75 A125 S126 | A40-K42 HydrophobicContact CB-CG 4.3Å; K42-T73 HydrophobicContact CB-CG2 4.16Å; K42-T73 HydrophobicContact CD-CG2 4.44Å; K42-E74 CarbonylContact C-O 3.5Å; K42-E74 VanDerWaalsContact CA-O 3.23Å; K42-E74 WeakPolarHBondContact CA-O 3.2Å; K42-V75 HydrophobicContact CD-CG2 4.32Å; K42-V75 HydrophobicContact CG-CG2 4.17Å; K42-A125 CarbonylContact O-C 3.57Å; K42-A125 WeakPolarHBondContact O-CA 3.47Å; K42-S126 PolarHBondContact N-O 3.15Å; K42-S126 PolarHBondContact O-N 2.85Å; K42-S126 PolarHBondContact O-OG 2.91Å |
| 43 | L | 97.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.4 | 171.8 | -174.2 | 74 | 0 | 0 | 0 | 108.7 | I9 V28 V45 T73 E74 L76 F100 C123 R124 A125 | I9-L43 HydrophobicContact CD1-CD1 4.4Å; V28-L43 HydrophobicContact CG2-CD1 4.12Å; L43-V45 HydrophobicContact CD2-CG2 4.32Å; L43-V45 HydrophobicContact CG-CG2 4.4Å; L43-T73 CarbonylContact O-C 3.49Å; L43-T73 WeakPolarHBondContact O-CA 3.34Å; L43-E74 PolarHBondContact N-O 3.45Å; L43-E74 PolarHBondContact O-N 3.49Å; L43-L76 HydrophobicContact CB-CD1 3.95Å; L43-L76 HydrophobicContact CB-CD2 4.34Å; L43-L76 HydrophobicContact CB-CG 4.11Å; L43-F100 HydrophobicContact CD2-CB 3.49Å; L43-F100 VanDerWaalsContact CD2-CB 3.49Å; L43-F100 HydrophobicContact CD2-CD1 3.62Å; L43-F100 HydrophobicContact CD2-CD2 3.66Å; L43-F100 HydrophobicContact CD2-CE1 4.19Å; L43-F100 HydrophobicContact CD2-CE2 4.24Å; L43-F100 HydrophobicContact CD2-CG 3.31Å; L43-F100 HydrophobicContact CD2-CZ 4.48Å; L43-C123 HydrophobicContact CD1-CB 4.07Å; L43-R124 CarbonylContact C-O 3.52Å; L43-R124 WeakPolarHBondContact CA-O 3.06Å; L43-A125 HydrophobicContact CD1-CB 4.32Å |
| 44 | R | 97.5 | Very high | 91.9 | Very high | 85 Ų | 85 | 38.6 Ų | 38.6 | 32% | 0.321 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.8 | 170.1 | -177.6 | 176.7 | -175.2 | -160.2 | 3.4 | 109.1 | D71 E72 T73 W122 C123 R124 | R44-D71 IonicContact CZ-OD1 2.95Å; R44-D71 VanDerWaalsContact CZ-OD1 3.27Å; R44-D71 IonicContact CZ-OD2 3.86Å; R44-D71 IonicContact NE-OD1 3.27Å; R44-D71 PolarHBondContact NE-OD1 2.6Å; R44-D71 IonicContact NE-OD2 3.75Å; R44-D71 IonicContact NH2-OD1 3.04Å; R44-D71 PolarHBondContact NH2-OD1 3.4Å; R44-D71 IonicContact NH2-OD2 3.93Å; R44-D71 PolarHBondContact NH2-OD2 3.14Å; R44-E72 CarbonylContact C-O 3.55Å; R44-E72 VanDerWaalsContact CA-O 3.31Å; R44-E72 WeakPolarHBondContact CA-O 3.34Å; R44-T73 WeakPolarHBondContact CG-OG1 3.31Å; R44-W122 HydrophobicContact CG-CZ3 4.48Å; R44-C123 CarbonylContact O-C 3.55Å; R44-C123 WeakPolarHBondContact O-CA 3.28Å; R44-R124 HydrophobicContact CB-CB 4.49Å; R44-R124 PolarHBondContact N-O 2.73Å; R44-R124 PolarHBondContact O-N 2.92Å |
| 45 | V | 97.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.5 | 172.3 | -166.3 | 0 | 0 | 0 | 0 | 108 | L43 M70 D71 E72 F102 F141 | L43-V45 HydrophobicContact CD2-CG2 4.32Å; L43-V45 HydrophobicContact CG-CG2 4.4Å; V45-M70 HydrophobicContact CB-CE 3.48Å; V45-M70 VanDerWaalsContact CB-CE 3.48Å; V45-M70 HydrophobicContact CG1-CE 3.23Å; V45-M70 HydrophobicContact CG2-CE 4.4Å; V45-D71 WeakPolarHBondContact O-CA 3.5Å; V45-E72 PolarHBondContact N-O 2.85Å; V45-E72 PolarHBondContact O-N 3.3Å; V45-F102 HydrophobicContact CG1-CD2 4.12Å; V45-F102 HydrophobicContact CG1-CE1 4.36Å; V45-F102 HydrophobicContact CG1-CE2 3.67Å; V45-F102 HydrophobicContact CG1-CZ 3.8Å; V45-F102 HydrophobicContact CG2-CD1 3.69Å; V45-F102 HydrophobicContact CG2-CD2 4.28Å; V45-F102 HydrophobicContact CG2-CE1 3.71Å; V45-F102 HydrophobicContact CG2-CE2 4.3Å; V45-F102 HydrophobicContact CG2-CG 3.98Å; V45-F102 HydrophobicContact CG2-CZ 4.02Å; V45-F141 HydrophobicContact CG1-CE1 4.2Å; V45-F141 HydrophobicContact CG1-CZ 4.07Å |
| 46 | F | 97.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.7 | -170.8 | -172.2 | -92.8 | 0 | 0 | 0 | 111 | Q48 T68 M70 D71 F121 W122 | F46-Q48 HydrophobicContact CE1-CB 3.81Å; F46-Q48 HydrophobicContact CE1-CG 3.71Å; F46-Q48 HydrophobicContact CZ-CB 4.18Å; F46-Q48 HydrophobicContact CZ-CG 4.36Å; F46-T68 HydrophobicContact CE2-CG2 3.99Å; F46-T68 HydrophobicContact CZ-CG2 4.26Å; F46-M70 CarbonylContact C-O 3.5Å; F46-M70 WeakPolarHBondContact CA-O 3.44Å; F46-D71 HydrophobicContact CD2-CB 3.85Å; F46-D71 HydrophobicContact CE2-CB 4.07Å; F46-F121 CarbonylContact O-C 3.6Å; F46-F121 VanDerWaalsContact O-CA 3.3Å; F46-F121 WeakPolarHBondContact O-CA 3.18Å; F46-W122 HydrophobicContact CB-CD2 3.94Å; F46-W122 HydrophobicContact CB-CE3 3.96Å; F46-W122 HydrophobicContact CB-CH2 3.5Å; F46-W122 VanDerWaalsContact CB-CH2 3.5Å; F46-W122 HydrophobicContact CB-CZ2 3.49Å; F46-W122 VanDerWaalsContact CB-CZ2 3.49Å; F46-W122 HydrophobicContact CB-CZ3 3.72Å; F46-W122 HydrophobicContact CD1-CD2 4.46Å; F46-W122 AromaticContact CD1-CE2 3.47Å; F46-W122 VanDerWaalsContact CD1-CE2 3.47Å; F46-W122 HydrophobicContact CD1-CH2 4.14Å; F46-W122 AromaticContact CD1-CZ2 3.3Å; F46-W122 HydrophobicContact CD1-CZ2 3.3Å; F46-W122 AromaticContact CD1-NE1 3.51Å; F46-W122 HydrophobicContact CD2-CZ2 4.37Å; F46-W122 HydrophobicContact CE1-CZ2 4.07Å; F46-W122 AromaticContact CG-CE2 3.88Å; F46-W122 AromaticContact CG-CH2 3.81Å; F46-W122 HydrophobicContact CG-CH2 3.81Å; F46-W122 AromaticContact CG-CZ2 3.46Å; F46-W122 HydrophobicContact CG-CZ2 3.46Å; F46-W122 VanDerWaalsContact CG-CZ2 3.46Å; F46-W122 PolarHBondContact N-O 2.75Å; F46-W122 PolarHBondContact O-N 2.81Å |
| 47 | G | 97.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 127.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y69 M70 R120 | G47-Y69 PolarHBondContact O-N 2.92Å; G47-M70 PolarHBondContact N-O 3.08Å; G47-M70 PolarHBondContact O-N 2.88Å; G47-M70 VanDerWaalsContact O-N 3.15Å; G47-R120 CarbonylContact C-O 3.59Å; G47-R120 VanDerWaalsContact CA-O 3.29Å; G47-R120 WeakPolarHBondContact CA-O 3.44Å |
| 48 | Q | 97.2 | Very high | 87.2 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.3 | 176.6 | 78.6 | 176.1 | 27 | 0 | 0 | 113.2 | F46 E66 E67 Y118 V119 R120 | F46-Q48 HydrophobicContact CE1-CB 3.81Å; F46-Q48 HydrophobicContact CE1-CG 3.71Å; F46-Q48 HydrophobicContact CZ-CB 4.18Å; F46-Q48 HydrophobicContact CZ-CG 4.36Å; Q48-E66 PolarHBondContact NE2-OE1 3.32Å; Q48-E66 VanDerWaalsContact NE2-OE1 3.09Å; Q48-E67 CarbonylContact C-O 3.58Å; Q48-E67 WeakPolarHBondContact CA-O 3.37Å; Q48-E67 WeakPolarHBondContact CB-O 3.23Å; Q48-Y118 HydrophobicContact CG-CE2 4.09Å; Q48-Y118 PolarHBondContact NE2-OH 3.4Å; Q48-Y118 VanDerWaalsContact NE2-OH 3.08Å; Q48-V119 WeakPolarHBondContact O-CA 3.48Å; Q48-R120 PolarHBondContact N-O 2.98Å; Q48-R120 PolarHBondContact O-N 3.37Å |
| 49 | A | 97 | Very high | 86.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 145.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E66 E67 Y69 Y118 V119 L276 | A49-E66 CarbonylContact O-C 3.57Å; A49-E66 VanDerWaalsContact O-CA 3.29Å; A49-E66 WeakPolarHBondContact O-CA 3.49Å; A49-E67 HydrophobicContact CB-CB 4.41Å; A49-E67 PolarHBondContact N-O 3.05Å; A49-E67 PolarHBondContact O-N 3.43Å; A49-Y69 HydrophobicContact CB-CE2 3.61Å; A49-Y69 WeakPolarHBondContact CB-OH 3.49Å; A49-Y69 VanDerWaalsContact N-CE2 3.33Å; A49-Y118 CarbonylContact C-O 3.51Å; A49-Y118 VanDerWaalsContact CA-O 3.23Å; A49-Y118 WeakPolarHBondContact CA-O 3.39Å; A49-V119 HydrophobicContact CB-CG2 4.03Å; A49-L276 HydrophobicContact CB-CB 4.45Å; A49-L276 HydrophobicContact CB-CD1 4.1Å |
| 50 | A | 94.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 140.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P63 E65 E66 G117 Y118 | A50-P63 HydrophobicContact CB-CB 4.1Å; A50-P63 HydrophobicContact CB-CG 4.02Å; A50-E65 WeakPolarHBondContact CA-O 3.42Å; A50-E66 HydrophobicContact CB-CG 4.05Å; A50-G117 CarbonylContact O-C 3.59Å; A50-G117 WeakPolarHBondContact O-CA 3.41Å; A50-Y118 HydrophobicContact CB-CD1 4.35Å; A50-Y118 HydrophobicContact CB-CD2 4.25Å; A50-Y118 HydrophobicContact CB-CE1 3.77Å; A50-Y118 HydrophobicContact CB-CE2 3.67Å; A50-Y118 PolarHBondContact N-O 3.01Å; A50-Y118 PolarHBondContact O-N 2.74Å |
| 51 | V | 93 | Very high | 84.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.9 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 109.5 | I53 S64 E65 F225 L276 I277 | V51-I53 HydrophobicContact CG1-CB 4.18Å; V51-I53 HydrophobicContact CG1-CD1 4.01Å; V51-I53 HydrophobicContact CG1-CG1 3.81Å; V51-I53 PolarHBondContact O-N 2.93Å; V51-S64 PolarHBondContact O-N 2.83Å; V51-S64 PolarHBondContact O-OG 2.83Å; V51-E65 PolarHBondContact N-O 2.82Å; V51-F225 HydrophobicContact CG1-CB 3.94Å; V51-F225 HydrophobicContact CG2-CB 4.39Å; V51-F225 HydrophobicContact CG2-CD1 4.39Å; V51-L276 HydrophobicContact CG2-CB 3.79Å; V51-L276 HydrophobicContact CG2-CD1 4.44Å; V51-I277 HydrophobicContact CG2-CG1 4.13Å |
| 52 | L | 88.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | trans | -99.5 | 32.6 | -170 | -60.3 | -176.9 | 0 | 0 | 0 | 113.1 | P59 T60 P63 Y116 Y118 | L52-P59 WeakPolarHBondContact O-CA 3.44Å; L52-T60 WeakPolarHBondContact CB-O 3.35Å; L52-T60 PolarHBondContact O-N 3Å; L52-T60 PolarHBondContact O-OG1 2.82Å; L52-P63 HydrophobicContact CD2-CB 4.21Å; L52-P63 HydrophobicContact CD2-CG 3.79Å; L52-Y116 PolarHBondContact N-O 3.1Å; L52-Y118 HydrophobicContact CD1-CD1 4.06Å; L52-Y118 HydrophobicContact CD1-CE1 4.09Å; L52-Y118 HydrophobicContact CD2-CE1 4.22Å; L52-Y118 HydrophobicContact CG-CD1 4.45Å; L52-Y118 HydrophobicContact CG-CE1 4.34Å | ||
| 53 | I | 79.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -113.3 | 138.4 | -172.4 | -44.5 | 177.5 | 0 | 0 | 0 | 111 | V51 S64 Y116 F225 C234 | V51-I53 HydrophobicContact CG1-CB 4.18Å; V51-I53 HydrophobicContact CG1-CD1 4.01Å; V51-I53 HydrophobicContact CG1-CG1 3.81Å; V51-I53 PolarHBondContact O-N 2.93Å; I53-S64 WeakPolarHBondContact O-CB 3.49Å; I53-S64 PolarHBondContact O-OG 2.83Å; I53-Y116 HydrophobicContact CD1-CD1 4.25Å; I53-Y116 HydrophobicContact CD1-CG 4.34Å; I53-Y116 HydrophobicContact CG1-CD1 4.09Å; I53-Y116 HydrophobicContact CG1-CG 4.43Å; I53-Y116 WeakPolarHBondContact CG1-O 3.41Å; I53-F225 HydrophobicContact CD1-CB 3.44Å; I53-F225 VanDerWaalsContact CD1-CB 3.44Å; I53-F225 HydrophobicContact CD1-CD1 4.47Å; I53-F225 HydrophobicContact CD1-CD2 3.89Å; I53-F225 HydrophobicContact CD1-CG 3.7Å; I53-C234 HydrophobicContact CD1-CB 3.38Å; I53-C234 HydrophobicContact CG2-CB 4.42Å; I53-C234 VanDerWaalsContact CG2-SG 3.57Å |
| 54 | R | 68.9 | Low | 83 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | trans | -121.1 | -172 | 168.8 | -68 | -169.9 | -174.2 | 171.4 | -8.3 | 109.7 | S56 T60 | R54-S56 PolarHBondContact O-N 3.39Å; R54-S56 VanDerWaalsContact O-O 3.11Å; R54-T60 HydrophobicContact CB-CG2 3.95Å; R54-T60 HydrophobicContact CG-CG2 3.68Å | ||
| 55 | K | 63.2 | Low | 82.7 | Confident | 189 Ų | 189 | 58.6 Ų | 58.6 | 82% | 0.822 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -54.5 | -14.6 | 178.2 | -66.3 | -176.9 | 178.7 | -179.8 | 0 | 114.7 | ||
| 56 | S | 61.2 | Low | 82.6 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -97.1 | 146.6 | 174.3 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | R54 K58 | R54-S56 PolarHBondContact O-N 3.39Å; R54-S56 VanDerWaalsContact O-O 3.11Å; S56-K58 PolarHBondContact O-N 2.87Å |
| 57 | D | 63.8 | Low | 82.5 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -64.4 | 3 | 174.9 | -68.6 | -28.3 | 0 | 0 | 0 | 115 | ||
| 58 | K | 70.6 | Confident | 82.5 | Confident | 160 Ų | 160 | 68.3 Ų | 68.3 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -95.9 | 136.3 | 177.9 | -65.8 | -172 | 179.6 | -177 | 0 | 111 | S56 | S56-K58 PolarHBondContact O-N 2.87Š|
| 59 | P | 68.4 | Low | 82.5 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 146 | 174.2 | 29.3 | -35.1 | 0 | 0 | 0 | 110.7 | L52 P115 | L52-P59 WeakPolarHBondContact O-CA 3.44Å; P59-P115 HydrophobicContact CB-CB 4.47Å; P59-P115 WeakPolarHBondContact CB-O 3.49Å; P59-P115 HydrophobicContact CG-CB 4.41Å |
| 60 | T | 74.1 | Confident | 82.4 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | trans | -117.8 | 146.6 | -176.9 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | L52 R54 N62 | L52-T60 WeakPolarHBondContact CB-O 3.35Å; L52-T60 PolarHBondContact O-N 3Å; L52-T60 PolarHBondContact O-OG1 2.82Å; R54-T60 HydrophobicContact CB-CG2 3.95Å; R54-T60 HydrophobicContact CG-CG2 3.68Å; T60-N62 VanDerWaalsContact C-N 3.33Å; T60-N62 PolarHBondContact O-N 2.98Å; T60-N62 PolarHBondContact OG1-O 2.87Å; T60-N62 VanDerWaalsContact OG1-O 3.12Å | ||
| 61 | R | 74.8 | Confident | 82.5 | Confident | 216 Ų | 216 | 72.1 Ų | 72.1 | 82% | 0.815 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -65.5 | -34.4 | -179.6 | -171.7 | 174 | 177.4 | 161 | 0.1 | 113.4 | ||
| 62 | N | 83.2 | Confident | 82.7 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -96.3 | 125 | -177.8 | -65.4 | 7.1 | 0 | 0 | 0 | 109.7 | T60 | T60-N62 VanDerWaalsContact C-N 3.33Å; T60-N62 PolarHBondContact O-N 2.98Å; T60-N62 PolarHBondContact OG1-O 2.87Å; T60-N62 VanDerWaalsContact OG1-O 3.12Å |
| 63 | P | 86.3 | Confident | 83.1 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 20% | 0.201 | 39% | 0.386 | C | S | . | . | trans | -53.5 | 139.7 | 177 | -28.5 | 37.1 | 0 | 0 | 0 | 113.6 | A50 L52 E66 | A50-P63 HydrophobicContact CB-CB 4.1Å; A50-P63 HydrophobicContact CB-CG 4.02Å; L52-P63 HydrophobicContact CD2-CB 4.21Å; L52-P63 HydrophobicContact CD2-CG 3.79Å; P63-E66 HydrophobicContact CB-CG 3.34Å; P63-E66 HydrophobicContact CG-CG 3.92Å; P63-E66 WeakPolarHBondContact CG-OE1 3.12Å | ||
| 64 | S | 87.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 82.5 Ų | 82.5 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -83.6 | -36.4 | 170.9 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | V51 I53 S227 K229 | V51-S64 PolarHBondContact O-N 2.83Å; V51-S64 PolarHBondContact O-OG 2.83Å; I53-S64 WeakPolarHBondContact O-CB 3.49Å; I53-S64 PolarHBondContact O-OG 2.83Å; S64-S227 WeakPolarHBondContact CB-OG 3.26Å; S64-S227 WeakPolarHBondContact OG-CB 3.12Å; S64-S227 PolarHBondContact OG-OG 3.19Å; S64-K229 WeakPolarHBondContact O-CD 3.38Å; S64-K229 WeakPolarHBondContact O-CE 3.44Å; S64-K229 PolarHBondContact O-NZ 2.9Å |
| 65 | E | 91.7 | Very high | 85 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.2 | 177.4 | -156.1 | 76 | -152.4 | 0 | 0 | 107.6 | A50 V51 K228 L276 | A50-E65 WeakPolarHBondContact CA-O 3.42Å; V51-E65 PolarHBondContact N-O 2.82Å; E65-K228 PolarHBondContact OE2-N 2.88Å; E65-L276 HydrophobicContact CB-CD1 4.32Å; E65-L276 HydrophobicContact CB-CD2 4.19Å; E65-L276 HydrophobicContact CG-CD1 4.26Å; E65-L276 HydrophobicContact CG-CD2 3.59Å |
| 66 | E | 94.7 | Very high | 86.5 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.2 | -178.6 | -63.9 | 179.8 | 102.6 | 0 | 0 | 109.4 | Q48 A49 A50 P63 | Q48-E66 PolarHBondContact NE2-OE1 3.32Å; Q48-E66 VanDerWaalsContact NE2-OE1 3.09Å; A49-E66 CarbonylContact O-C 3.57Å; A49-E66 VanDerWaalsContact O-CA 3.29Å; A49-E66 WeakPolarHBondContact O-CA 3.49Å; A50-E66 HydrophobicContact CB-CG 4.05Å; P63-E66 HydrophobicContact CB-CG 3.34Å; P63-E66 HydrophobicContact CG-CG 3.92Å; P63-E66 WeakPolarHBondContact CG-OE1 3.12Å |
| 67 | E | 95.7 | Very high | 87.9 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 111.1 | 176.4 | -176.4 | 177.1 | -156.2 | 0 | 0 | 108.3 | Q48 A49 Y69 N275 L276 | Q48-E67 CarbonylContact C-O 3.58Å; Q48-E67 WeakPolarHBondContact CA-O 3.37Å; Q48-E67 WeakPolarHBondContact CB-O 3.23Å; A49-E67 HydrophobicContact CB-CB 4.41Å; A49-E67 PolarHBondContact N-O 3.05Å; A49-E67 PolarHBondContact O-N 3.43Å; E67-Y69 HydrophobicContact CB-CE1 4.34Å; E67-Y69 HydrophobicContact CG-CD1 4.22Å; E67-Y69 HydrophobicContact CG-CE1 3.53Å; E67-Y69 WeakPolarHBondContact OE2-CE1 3.45Å; E67-Y69 PolarHBondContact OE2-OH 2.82Å; E67-N275 PolarHBondContact OE1-ND2 3.12Å; E67-N275 PolarHBondContact OE2-N 3.08Å; E67-N275 VanDerWaalsContact OE2-N 3.1Å; E67-L276 HydrophobicContact CB-CD1 3.77Å; E67-L276 HydrophobicContact CB-CG 4.13Å |
| 68 | T | 97.4 | Very high | 89.1 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.5 | 177.1 | -52.3 | 0 | 0 | 0 | 0 | 109.7 | F46 D71 | F46-T68 HydrophobicContact CE2-CG2 3.99Å; F46-T68 HydrophobicContact CZ-CG2 4.26Å; T68-D71 HydrophobicContact CG2-CB 4.13Å |
| 69 | Y | 96.9 | Very high | 89.3 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -33.2 | 176.3 | -57.2 | -58.7 | 0 | 0 | 0 | 112.3 | G47 A49 E67 R105 L108 P109 V119 F121 G273 C274 | G47-Y69 PolarHBondContact O-N 2.92Å; A49-Y69 HydrophobicContact CB-CE2 3.61Å; A49-Y69 WeakPolarHBondContact CB-OH 3.49Å; A49-Y69 VanDerWaalsContact N-CE2 3.33Å; E67-Y69 HydrophobicContact CB-CE1 4.34Å; E67-Y69 HydrophobicContact CG-CD1 4.22Å; E67-Y69 HydrophobicContact CG-CE1 3.53Å; E67-Y69 WeakPolarHBondContact OE2-CE1 3.45Å; E67-Y69 PolarHBondContact OE2-OH 2.82Å; Y69-R105 PolarHBondContact O-NH1 2.96Å; Y69-L108 HydrophobicContact CG-CD2 4.46Å; Y69-P109 HydrophobicContact CD1-CG 4.44Å; Y69-P109 HydrophobicContact CD2-CG 3.78Å; Y69-P109 HydrophobicContact CE1-CG 4.13Å; Y69-P109 HydrophobicContact CE2-CG 3.4Å; Y69-P109 HydrophobicContact CG-CG 4.3Å; Y69-V119 HydrophobicContact CE2-CG1 4.11Å; Y69-F121 HydrophobicContact CD2-CZ 4.21Å; Y69-G273 WeakPolarHBondContact CE1-O 3.37Å; Y69-C274 WeakPolarHBondContact OH-CA 3.36Å; Y69-C274 PolarHBondContact OH-SG 3.17Å |
| 70 | M | 95.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 137.2 | -177.2 | -157.9 | 171.6 | 128.2 | 0 | 0 | 110.4 | V45 F46 G47 E72 F102 L104 | V45-M70 HydrophobicContact CB-CE 3.48Å; V45-M70 VanDerWaalsContact CB-CE 3.48Å; V45-M70 HydrophobicContact CG1-CE 3.23Å; V45-M70 HydrophobicContact CG2-CE 4.4Å; F46-M70 CarbonylContact C-O 3.5Å; F46-M70 WeakPolarHBondContact CA-O 3.44Å; G47-M70 PolarHBondContact N-O 3.08Å; G47-M70 PolarHBondContact O-N 2.88Å; G47-M70 VanDerWaalsContact O-N 3.15Å; M70-E72 HydrophobicContact CE-CB 4.48Å; M70-E72 HydrophobicContact CG-CG 4.17Å; M70-F102 HydrophobicContact CE-CD2 4.03Å; M70-F102 HydrophobicContact CE-CE2 4.42Å; M70-L104 HydrophobicContact SD-CD2 4.33Å |
| 71 | D | 97.5 | Very high | 88.1 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 88 | 174.5 | -170.4 | 2.7 | 0 | 0 | 0 | 108.1 | R44 V45 F46 T68 | R44-D71 IonicContact CZ-OD1 2.95Å; R44-D71 VanDerWaalsContact CZ-OD1 3.27Å; R44-D71 IonicContact CZ-OD2 3.86Å; R44-D71 IonicContact NE-OD1 3.27Å; R44-D71 PolarHBondContact NE-OD1 2.6Å; R44-D71 IonicContact NE-OD2 3.75Å; R44-D71 IonicContact NH2-OD1 3.04Å; R44-D71 PolarHBondContact NH2-OD1 3.4Å; R44-D71 IonicContact NH2-OD2 3.93Å; R44-D71 PolarHBondContact NH2-OD2 3.14Å; V45-D71 WeakPolarHBondContact O-CA 3.5Å; F46-D71 HydrophobicContact CD2-CB 3.85Å; F46-D71 HydrophobicContact CE2-CB 4.07Å; T68-D71 HydrophobicContact CG2-CB 4.13Å |
| 72 | E | 96.7 | Very high | 86.8 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.1 | -172.4 | -66.5 | 174.7 | -164.6 | 0 | 0 | 108.3 | R44 V45 M70 R105 | R44-E72 CarbonylContact C-O 3.55Å; R44-E72 VanDerWaalsContact CA-O 3.31Å; R44-E72 WeakPolarHBondContact CA-O 3.34Å; V45-E72 PolarHBondContact N-O 2.85Å; V45-E72 PolarHBondContact O-N 3.3Å; M70-E72 HydrophobicContact CE-CB 4.48Å; M70-E72 HydrophobicContact CG-CG 4.17Å; E72-R105 IonicContact OE1-CZ 2.88Å; E72-R105 IonicContact OE1-NE 3.04Å; E72-R105 IonicContact OE1-NH2 3.84Å; E72-R105 PolarHBondContact OE1-NH2 3.07Å |
| 73 | T | 96.5 | Very high | 84.8 | Confident | 86 Ų | 86 | 65 Ų | 65 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.9 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | K42 L43 R44 | K42-T73 HydrophobicContact CB-CG2 4.16Å; K42-T73 HydrophobicContact CD-CG2 4.44Å; L43-T73 CarbonylContact O-C 3.49Å; L43-T73 WeakPolarHBondContact O-CA 3.34Å; R44-T73 WeakPolarHBondContact CG-OG1 3.31Å |
| 74 | E | 94.9 | Very high | 82.7 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.4 | 176.7 | -169.7 | -177.6 | 177.6 | 0 | 0 | 110 | K42 L43 L76 | K42-E74 CarbonylContact C-O 3.5Å; K42-E74 VanDerWaalsContact CA-O 3.23Å; K42-E74 WeakPolarHBondContact CA-O 3.2Å; L43-E74 PolarHBondContact N-O 3.45Å; L43-E74 PolarHBondContact O-N 3.49Å; E74-L76 HydrophobicContact CB-CD2 4.37Å; E74-L76 HydrophobicContact CG-CD2 3.98Å |
| 75 | V | 94.5 | Very high | 80.6 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 42% | 0.418 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109 | 171.6 | -176 | 0 | 0 | 0 | 0 | 108 | K42 F77 G78 | K42-V75 HydrophobicContact CD-CG2 4.32Å; K42-V75 HydrophobicContact CG-CG2 4.17Å; V75-F77 WeakPolarHBondContact CG1-O 3.34Å; V75-G78 WeakPolarHBondContact CG1-O 3.13Å |
| 76 | L | 93.9 | Very high | 78.7 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 15% | 0.152 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -24.9 | -178.2 | -54.2 | -175.6 | 0 | 0 | 0 | 112.7 | V28 I41 L43 E74 F98 F100 | V28-L76 HydrophobicContact CB-CD1 4.1Å; V28-L76 HydrophobicContact CG2-CD1 3.58Å; I41-L76 PolarHBondContact O-N 3.26Å; L43-L76 HydrophobicContact CB-CD1 3.95Å; L43-L76 HydrophobicContact CB-CD2 4.34Å; L43-L76 HydrophobicContact CB-CG 4.11Å; E74-L76 HydrophobicContact CB-CD2 4.37Å; E74-L76 HydrophobicContact CG-CD2 3.98Å; L76-F98 HydrophobicContact CB-CB 3.98Å; L76-F98 HydrophobicContact CD1-CB 4.1Å; L76-F100 HydrophobicContact CD1-CB 4.32Å; L76-F100 HydrophobicContact CD1-CD1 4.43Å; L76-F100 HydrophobicContact CD2-CB 3.82Å |
| 77 | F | 92.1 | Very high | 77.1 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 18% | 0.18 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 142.2 | 179.2 | -179.1 | -100.1 | 0 | 0 | 0 | 110.5 | V38 A40 I41 V75 L89 L91 F98 | V38-F77 HydrophobicContact CB-CE1 4.17Å; V38-F77 HydrophobicContact CG1-CD1 3.96Å; V38-F77 HydrophobicContact CG1-CE1 4.02Å; A40-F77 CarbonylContact C-O 3.56Å; A40-F77 WeakPolarHBondContact CA-O 3.47Å; I41-F77 HydrophobicContact CB-CB 4.06Å; I41-F77 HydrophobicContact CD1-CB 4.17Å; I41-F77 HydrophobicContact CD1-CD1 4.33Å; I41-F77 HydrophobicContact CG1-CB 4.25Å; I41-F77 HydrophobicContact CG1-CD1 4.44Å; I41-F77 PolarHBondContact N-O 3.19Å; I41-F77 PolarHBondContact O-N 3.08Å; V75-F77 WeakPolarHBondContact CG1-O 3.34Å; F77-L89 HydrophobicContact CE1-CB 3.97Å; F77-L89 HydrophobicContact CE1-CD1 4.03Å; F77-L89 HydrophobicContact CE2-CD1 3.79Å; F77-L89 HydrophobicContact CZ-CB 3.64Å; F77-L89 HydrophobicContact CZ-CD1 3.38Å; F77-L89 HydrophobicContact CZ-CG 4.13Å; F77-L91 HydrophobicContact CE1-CD1 4.09Å; F77-L91 HydrophobicContact CE1-CD2 4.13Å; F77-L91 HydrophobicContact CE1-CG 4.11Å; F77-L91 HydrophobicContact CE2-CD2 4.06Å; F77-L91 HydrophobicContact CZ-CD1 4.32Å; F77-L91 HydrophobicContact CZ-CD2 3.54Å; F77-L91 HydrophobicContact CZ-CG 4.02Å; F77-F98 HydrophobicContact CB-CD1 3.72Å; F77-F98 HydrophobicContact CB-CE1 3.57Å; F77-F98 HydrophobicContact CB-CZ 4.34Å; F77-F98 HydrophobicContact CD1-CE1 4.44Å; F77-F98 HydrophobicContact CD2-CD1 4.26Å; F77-F98 AromaticContact CD2-CE1 3.5Å; F77-F98 HydrophobicContact CD2-CE1 3.5Å; F77-F98 VanDerWaalsContact CD2-CE1 3.5Å; F77-F98 HydrophobicContact CD2-CZ 4.32Å; F77-F98 HydrophobicContact CE2-CE1 4.26Å; F77-F98 HydrophobicContact CG-CD1 4.24Å; F77-F98 AromaticContact CG-CE1 3.59Å; F77-F98 HydrophobicContact CG-CE1 3.59Å; F77-F98 HydrophobicContact CG-CZ 4.2Å |
| 78 | G | 87.7 | Confident | 76 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.9 | -153.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q39 V75 N80 | Q39-G78 WeakPolarHBondContact O-CA 3.24Å; V75-G78 WeakPolarHBondContact CG1-O 3.13Å; G78-N80 PolarHBondContact O-N 3.05Å |
| 79 | G | 75.6 | Confident | 75.4 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 42% | 0.423 | 46% | 0.461 | S | S | . | . | trans | 78.3 | 6.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q39 E81 | Q39-G79 PolarHBondContact O-N 3.26Å; G79-E81 PolarHBondContact O-N 2.75Å; G79-E81 VanDerWaalsContact O-N 3.14Å | ||
| 80 | N | 62.7 | Low | 75 | Confident | 138 Ų | 138 | 81.6 Ų | 81.6 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | trans | -73 | 105.9 | 172.3 | -76.4 | -6.1 | 0 | 0 | 0 | 110.5 | G78 S82 | G78-N80 PolarHBondContact O-N 3.05Å; N80-S82 PolarHBondContact O-N 2.9Å; N80-S82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | E | 54.8 | Low | 74.7 | Confident | 188 Ų | 188 | 82.3 Ų | 82.3 | 88% | 0.879 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.3 | 173.7 | -69.4 | -89.8 | 132 | 0 | 0 | 113.3 | G79 S83 | G79-E81 PolarHBondContact O-N 2.75Å; G79-E81 VanDerWaalsContact O-N 3.14Å; E81-S83 VanDerWaalsContact C-N 3.32Å; E81-S83 PolarHBondContact O-N 2.95Å |
| 82 | S | 46.5 | Very low | 74.5 | Confident | 122 Ų | 122 | 80 Ų | 80 | 85% | 0.853 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 11.2 | -165.3 | -44.7 | 0 | 0 | 0 | 0 | 116.5 | N80 | N80-S82 PolarHBondContact O-N 2.9Å; N80-S82 VanDerWaalsContact O-N 3.13Å |
| 83 | S | 40.6 | Very low | 74.3 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | trans | -133.3 | 103.2 | 176.3 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | E81 T85 A86 | E81-S83 VanDerWaalsContact C-N 3.32Å; E81-S83 PolarHBondContact O-N 2.95Å; S83-T85 PolarHBondContact O-N 2.8Å; S83-A86 PolarHBondContact O-N 3.26Å | ||
| 84 | L | 44 | Very low | 74.1 | Confident | 182 Ų | 182 | 80.9 Ų | 80.9 | 95% | 0.953 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -0.8 | -179.7 | -72.1 | 162.5 | 0 | 0 | 0 | 114.5 | ||
| 85 | T | 42.6 | Very low | 74.1 | Confident | 141 Ų | 141 | 82.5 Ų | 82.5 | 87% | 0.865 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.8 | 6.6 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 116.1 | S83 | S83-T85 PolarHBondContact O-N 2.8Š|
| 86 | A | 50.7 | Low | 74.1 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.3 | 18.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | S83 S88 | S83-A86 PolarHBondContact O-N 3.26Å; A86-S88 PolarHBondContact O-N 3.32Å |
| 87 | G | 62.3 | Low | 74.2 | Confident | 48 Ų | 48 | 84.6 Ų | 84.6 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | trans | -67.4 | 5.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q39 | Q39-G87 WeakPolarHBondContact CA-O 3.29Š| ||
| 88 | S | 71.4 | Confident | 74.5 | Confident | 39 Ų | 39 | 83.7 Ų | 83.7 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | trans | -133.1 | 123.6 | 173.5 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | V38 A86 | V38-S88 CarbonylContact O-C 3.54Å; V38-S88 VanDerWaalsContact O-CA 3.3Å; V38-S88 WeakPolarHBondContact O-CA 3.34Å; A86-S88 PolarHBondContact O-N 3.32Å | ||
| 89 | L | 85 | Confident | 74.9 | Confident | 91 Ų | 91 | 91.4 Ų | 91.4 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 142.7 | 175.8 | -65.9 | 170.1 | 0 | 0 | 0 | 109.3 | K37 V38 F77 L91 | K37-L89 WeakPolarHBondContact CA-O 3.47Å; V38-L89 PolarHBondContact N-O 2.82Å; V38-L89 PolarHBondContact O-N 2.85Å; F77-L89 HydrophobicContact CE1-CB 3.97Å; F77-L89 HydrophobicContact CE1-CD1 4.03Å; F77-L89 HydrophobicContact CE2-CD1 3.79Å; F77-L89 HydrophobicContact CZ-CB 3.64Å; F77-L89 HydrophobicContact CZ-CD1 3.38Å; F77-L89 HydrophobicContact CZ-CG 4.13Å; L89-L91 PolarHBondContact O-N 3.12Å |
| 90 | I | 88.7 | Confident | 76 | Confident | 113 Ų | 113 | 89.7 Ų | 89.7 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 114.4 | 172.7 | -62.6 | 170.2 | 0 | 0 | 0 | 107.4 | N35 Q36 K37 | N35-I90 HydrophobicContact CB-CG2 4.16Å; Q36-I90 WeakPolarHBondContact O-CA 2.99Å; K37-I90 HydrophobicContact CG-CD1 4.46Å; K37-I90 HydrophobicContact CG-CG1 3.68Å |
| 91 | L | 91 | Very high | 77.6 | Confident | 18 Ų | 18 | 87.6 Ų | 87.6 | 9% | 0.094 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.9 | 167.4 | -67.9 | -178 | 0 | 0 | 0 | 108.8 | L30 L32 N35 Q36 V38 F77 L89 F98 | L30-L91 HydrophobicContact CD2-CD1 3.7Å; L32-L91 HydrophobicContact CD1-CB 3.53Å; L32-L91 HydrophobicContact CD1-CD1 4.35Å; N35-L91 CarbonylContact C-O 3.49Å; N35-L91 VanDerWaalsContact CA-O 3.28Å; N35-L91 WeakPolarHBondContact CA-O 3.41Å; Q36-L91 PolarHBondContact N-O 2.9Å; Q36-L91 PolarHBondContact O-N 3.33Å; V38-L91 HydrophobicContact CB-CD1 4.13Å; V38-L91 HydrophobicContact CB-CG 4.39Å; V38-L91 HydrophobicContact CG1-CD1 4.45Å; V38-L91 HydrophobicContact CG2-CB 4.49Å; V38-L91 HydrophobicContact CG2-CD1 3.84Å; V38-L91 HydrophobicContact CG2-CG 4.23Å; F77-L91 HydrophobicContact CE1-CD1 4.09Å; F77-L91 HydrophobicContact CE1-CD2 4.13Å; F77-L91 HydrophobicContact CE1-CG 4.11Å; F77-L91 HydrophobicContact CE2-CD2 4.06Å; F77-L91 HydrophobicContact CZ-CD1 4.32Å; F77-L91 HydrophobicContact CZ-CD2 3.54Å; F77-L91 HydrophobicContact CZ-CG 4.02Å; L89-L91 PolarHBondContact O-N 3.12Å; L91-F98 HydrophobicContact CD1-CZ 3.9Å |
| 92 | G | 92.3 | Very high | 79.6 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -68 | 162.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N35 H96 | N35-G92 VanDerWaalsContact OD1-CA 3.31Å; N35-G92 WeakPolarHBondContact OD1-CA 3.12Å; G92-H96 PolarHBondContact O-NE2 2.62Å |
| 93 | K | 92.2 | Very high | 81.9 | Confident | 151 Ų | 151 | 80.2 Ų | 80.2 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -54.6 | 140.5 | 167.7 | 176.6 | -178.7 | -179.7 | 177.7 | 0 | 110.6 | L32 G33 N35 | L32-K93 WeakPolarHBondContact O-CA 3.35Å; L32-K93 WeakPolarHBondContact O-CG 3.47Å; G33-K93 VanDerWaalsContact O-CD 3.28Å; G33-K93 WeakPolarHBondContact O-CD 3.42Å; G33-K93 WeakPolarHBondContact O-CE 3.41Å; G33-K93 WeakPolarHBondContact O-CG 3.46Å; N35-K93 PolarHBondContact OD1-N 2.8Å |
| 94 | G | 93.6 | Very high | 84.5 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 28% | 0.278 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.5 | -171.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L32 H96 | L32-G94 PolarHBondContact N-O 2.87Å; L32-G94 PolarHBondContact O-N 2.98Å; G94-H96 PolarHBondContact O-CD2 2.78Å |
| 95 | I | 94.1 | Very high | 86.9 | Confident | 118 Ų | 118 | 74.2 Ų | 74.2 | 61% | 0.605 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126 | -179.1 | -57.8 | 172.3 | 0 | 0 | 0 | 109.1 | L30 D31 | L30-I95 WeakPolarHBondContact O-CA 3.07Å; D31-I95 HydrophobicContact CB-CG1 4.35Å |
| 96 | H | 95.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 73 Ų | 73 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.5 | 173.9 | -58.3 | -94.1 | 0 | 0 | 0 | 109.6 | L29 L30 G92 G94 F98 | L29-H96 WeakPolarHBondContact CA-O 3Å; L30-H96 HydrophobicContact CB-CB 4.36Å; L30-H96 PolarHBondContact N-O 3.31Å; L30-H96 PolarHBondContact O-N 2.91Å; G92-H96 PolarHBondContact O-NE2 2.62Å; G94-H96 PolarHBondContact O-CD2 2.78Å; H96-F98 HydrophobicContact CB-CE2 3.62Å; H96-F98 HydrophobicContact CB-CZ 3.79Å |
| 97 | E | 96.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 75.8 Ų | 75.8 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.9 | 179.1 | -50.1 | -158.8 | 149.2 | 0 | 0 | 110.6 | K27 L29 | K27-E97 IonicContact NZ-OE1 3.43Å; K27-E97 PolarHBondContact NZ-OE1 2.84Å; K27-E97 IonicContact NZ-OE2 2.76Å; K27-E97 PolarHBondContact NZ-OE2 2.96Å; L29-E97 HydrophobicContact CD2-CB 4.15Å; L29-E97 HydrophobicContact CD2-CG 3.57Å |
| 98 | F | 96.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 73.7 Ų | 73.7 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 106.4 | 176.1 | -54.8 | -82.1 | 0 | 0 | 0 | 109.1 | K27 V28 L30 I41 L76 F77 L91 H96 | K27-F98 CarbonylContact C-O 3.53Å; K27-F98 WeakPolarHBondContact CA-O 3.44Å; V28-F98 HydrophobicContact CB-CB 4.41Å; V28-F98 PolarHBondContact N-O 3.04Å; V28-F98 PolarHBondContact O-N 3.36Å; L30-F98 HydrophobicContact CB-CE2 4.06Å; L30-F98 HydrophobicContact CD2-CE2 4.32Å; I41-F98 HydrophobicContact CD1-CD1 4.43Å; I41-F98 HydrophobicContact CD1-CD2 3.57Å; I41-F98 HydrophobicContact CD1-CE1 4.09Å; I41-F98 HydrophobicContact CD1-CE2 3.15Å; I41-F98 HydrophobicContact CD1-CG 4.2Å; I41-F98 HydrophobicContact CD1-CZ 3.44Å; I41-F98 VanDerWaalsContact CD1-CZ 3.44Å; L76-F98 HydrophobicContact CB-CB 3.98Å; L76-F98 HydrophobicContact CD1-CB 4.1Å; F77-F98 HydrophobicContact CB-CD1 3.72Å; F77-F98 HydrophobicContact CB-CE1 3.57Å; F77-F98 HydrophobicContact CB-CZ 4.34Å; F77-F98 HydrophobicContact CD1-CE1 4.44Å; F77-F98 HydrophobicContact CD2-CD1 4.26Å; F77-F98 AromaticContact CD2-CE1 3.5Å; F77-F98 HydrophobicContact CD2-CE1 3.5Å; F77-F98 VanDerWaalsContact CD2-CE1 3.5Å; F77-F98 HydrophobicContact CD2-CZ 4.32Å; F77-F98 HydrophobicContact CE2-CE1 4.26Å; F77-F98 HydrophobicContact CG-CD1 4.24Å; F77-F98 AromaticContact CG-CE1 3.59Å; F77-F98 HydrophobicContact CG-CE1 3.59Å; F77-F98 HydrophobicContact CG-CZ 4.2Å; L91-F98 HydrophobicContact CD1-CZ 3.9Å; H96-F98 HydrophobicContact CB-CE2 3.62Å; H96-F98 HydrophobicContact CB-CZ 3.79Å |
| 99 | R | 97.7 | Very high | 94 | Very high | 189 Ų | 189 | 71.9 Ų | 71.9 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 148.6 | -179.5 | -72.5 | -172.2 | 171.9 | 137.2 | 1.3 | 111.5 | G26 K27 | G26-R99 WeakPolarHBondContact O-CA 3.39Å; K27-R99 HydrophobicContact CB-CG 4.33Å |
| 100 | F | 97.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155.4 | 173.1 | 59.8 | -101.9 | 0 | 0 | 0 | 110.3 | I9 F11 S25 G26 K27 V28 L43 L76 F102 | I9-F100 HydrophobicContact CG2-CE1 4Å; I9-F100 HydrophobicContact CG2-CZ 3.94Å; F11-F100 HydrophobicContact CD1-CE2 4.01Å; F11-F100 AromaticContact CD1-CZ 3.93Å; F11-F100 HydrophobicContact CD1-CZ 3.93Å; F11-F100 HydrophobicContact CE1-CE2 4.07Å; F11-F100 HydrophobicContact CE1-CZ 4.02Å; S25-F100 WeakPolarHBondContact CA-O 3.43Å; G26-F100 VanDerWaalsContact C-CE1 3.48Å; G26-F100 PolarHBondContact N-O 3.32Å; G26-F100 PolarHBondContact O-N 2.92Å; K27-F100 VanDerWaalsContact C-CE1 3.47Å; K27-F100 VanDerWaalsContact N-CE1 3.26Å; V28-F100 HydrophobicContact CG2-CD1 4.03Å; V28-F100 HydrophobicContact CG2-CE1 4.12Å; L43-F100 HydrophobicContact CD2-CB 3.49Å; L43-F100 VanDerWaalsContact CD2-CB 3.49Å; L43-F100 HydrophobicContact CD2-CD1 3.62Å; L43-F100 HydrophobicContact CD2-CD2 3.66Å; L43-F100 HydrophobicContact CD2-CE1 4.19Å; L43-F100 HydrophobicContact CD2-CE2 4.24Å; L43-F100 HydrophobicContact CD2-CG 3.31Å; L43-F100 HydrophobicContact CD2-CZ 4.48Å; L76-F100 HydrophobicContact CD1-CB 4.32Å; L76-F100 HydrophobicContact CD1-CD1 4.43Å; L76-F100 HydrophobicContact CD2-CB 3.82Å; F100-F102 AromaticContact CD2-CD1 3.97Å; F100-F102 HydrophobicContact CD2-CD1 3.97Å; F100-F102 AromaticContact CD2-CE1 3.88Å; F100-F102 HydrophobicContact CD2-CE1 3.88Å; F100-F102 HydrophobicContact CE2-CD1 4.39Å; F100-F102 AromaticContact CE2-CE1 3.83Å; F100-F102 HydrophobicContact CE2-CE1 3.83Å |
| 101 | L | 96.7 | Very high | 95 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 118.9 | 175.3 | 176.4 | 64.1 | 0 | 0 | 0 | 108.8 | Q23 V24 | Q23-L101 HydrophobicContact CB-CD1 3.99Å; Q23-L101 HydrophobicContact CG-CD1 4.5Å; V24-L101 WeakPolarHBondContact O-CA 3.29Å |
| 102 | F | 95.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 162.7 | 174 | 61.4 | -91.5 | 0 | 0 | 0 | 110.7 | Q23 V24 V45 M70 F100 L104 F141 | Q23-F102 WeakPolarHBondContact CA-O 3.49Å; V24-F102 HydrophobicContact CB-CD2 4.16Å; V24-F102 HydrophobicContact CB-CE1 4.04Å; V24-F102 HydrophobicContact CB-CE2 3.62Å; V24-F102 HydrophobicContact CB-CZ 3.56Å; V24-F102 HydrophobicContact CG1-CE1 3.96Å; V24-F102 HydrophobicContact CG1-CE2 4.11Å; V24-F102 HydrophobicContact CG1-CZ 3.55Å; V24-F102 HydrophobicContact CG2-CE2 3.86Å; V24-F102 HydrophobicContact CG2-CZ 4.16Å; V24-F102 PolarHBondContact N-O 2.99Å; V24-F102 PolarHBondContact O-N 2.9Å; V24-F102 VanDerWaalsContact O-N 3.08Å; V45-F102 HydrophobicContact CG1-CD2 4.12Å; V45-F102 HydrophobicContact CG1-CE1 4.36Å; V45-F102 HydrophobicContact CG1-CE2 3.67Å; V45-F102 HydrophobicContact CG1-CZ 3.8Å; V45-F102 HydrophobicContact CG2-CD1 3.69Å; V45-F102 HydrophobicContact CG2-CD2 4.28Å; V45-F102 HydrophobicContact CG2-CE1 3.71Å; V45-F102 HydrophobicContact CG2-CE2 4.3Å; V45-F102 HydrophobicContact CG2-CG 3.98Å; V45-F102 HydrophobicContact CG2-CZ 4.02Å; M70-F102 HydrophobicContact CE-CD2 4.03Å; M70-F102 HydrophobicContact CE-CE2 4.42Å; F100-F102 AromaticContact CD2-CD1 3.97Å; F100-F102 HydrophobicContact CD2-CD1 3.97Å; F100-F102 AromaticContact CD2-CE1 3.88Å; F100-F102 HydrophobicContact CD2-CE1 3.88Å; F100-F102 HydrophobicContact CE2-CD1 4.39Å; F100-F102 AromaticContact CE2-CE1 3.83Å; F100-F102 HydrophobicContact CE2-CE1 3.83Å; F102-L104 HydrophobicContact CD2-CD2 4.4Å; F102-L104 HydrophobicContact CE2-CD2 3.94Å; F102-F141 HydrophobicContact CE2-CZ 4.34Å; F102-F141 HydrophobicContact CZ-CZ 4.33Å |
| 103 | R | 95.3 | Very high | 95.3 | Very high | 138 Ų | 138 | 60 Ų | 60 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.3 | 179.8 | -172.3 | 175.3 | -176.9 | 128 | 2.2 | 110.5 | G21 Q23 | G21-R103 PolarHBondContact O-NE 2.9Å; G21-R103 PolarHBondContact O-NH2 3.46Å; G21-R103 VanDerWaalsContact O-NH2 3.08Å; Q23-R103 HydrophobicContact CG-CB 4.27Å; Q23-R103 HydrophobicContact CG-CG 4.24Å |
| 104 | L | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | trans | -74.2 | 137.5 | 170.5 | -65.1 | 179.6 | 0 | 0 | 0 | 109.6 | F18 G21 T22 V24 M70 F102 L108 F141 V143 | F18-L104 HydrophobicContact CB-CD1 3.79Å; G21-L104 CarbonylContact C-O 3.5Å; G21-L104 WeakPolarHBondContact CA-O 3.49Å; G21-L104 PolarHBondContact N-O 3.17Å; T22-L104 PolarHBondContact O-N 3.13Å; V24-L104 HydrophobicContact CG2-CD1 3.85Å; V24-L104 HydrophobicContact CG2-CG 3.92Å; M70-L104 HydrophobicContact SD-CD2 4.33Å; F102-L104 HydrophobicContact CD2-CD2 4.4Å; F102-L104 HydrophobicContact CE2-CD2 3.94Å; L104-L108 HydrophobicContact CB-CD1 3.95Å; L104-L108 HydrophobicContact CD2-CD1 3.91Å; L104-L108 HydrophobicContact CG-CD1 4.46Å; L104-F141 HydrophobicContact CD1-CE2 4.5Å; L104-F141 HydrophobicContact CD2-CE2 4.12Å; L104-F141 HydrophobicContact CD2-CZ 4.36Å; L104-V143 HydrophobicContact CD1-CG2 4.07Å; L104-V143 HydrophobicContact CD2-CG2 4.4Å | ||
| 105 | R | 94.2 | Very high | 94.9 | Very high | 116 Ų | 116 | 54.6 Ų | 54.6 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | trans | -68.5 | 151.5 | 175.3 | -57 | 179.9 | -166.2 | 155.4 | 8.2 | 110.3 | G21 Y69 E72 N107 L108 | G21-R105 PolarHBondContact N-O 3.31Å; G21-R105 VanDerWaalsContact N-O 3.1Å; Y69-R105 PolarHBondContact O-NH1 2.96Å; E72-R105 IonicContact OE1-CZ 2.88Å; E72-R105 IonicContact OE1-NE 3.04Å; E72-R105 IonicContact OE1-NH2 3.84Å; E72-R105 PolarHBondContact OE1-NH2 3.07Å; R105-N107 VanDerWaalsContact C-N 3.28Å; R105-N107 PolarHBondContact O-N 2.8Å; R105-L108 HydrophobicContact CB-CD2 4.37Å; R105-L108 HydrophobicContact CB-CG 4.06Å; R105-L108 WeakPolarHBondContact O-CG 3.5Å | ||
| 106 | D | 90.7 | Very high | 94.6 | Very high | 115 Ų | 115 | 53 Ų | 53 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.1 | -174.4 | -55.3 | -50.2 | 0 | 0 | 0 | 112.9 | G21 | G21-D106 WeakPolarHBondContact CA-OD1 3.46Š|
| 107 | N | 92 | Very high | 94.4 | Very high | 116 Ų | 116 | 50.9 Ų | 50.9 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 16.9 | -174.9 | 69.4 | -24.7 | 0 | 0 | 0 | 114.2 | R105 | R105-N107 VanDerWaalsContact C-N 3.28Å; R105-N107 PolarHBondContact O-N 2.8Å |
| 108 | L | 96.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 134.4 | 178.4 | -67.8 | -179 | 0 | 0 | 0 | 111.1 | A20 Y69 L104 R105 F121 V143 | A20-L108 HydrophobicContact CB-CB 4.13Å; Y69-L108 HydrophobicContact CG-CD2 4.46Å; L104-L108 HydrophobicContact CB-CD1 3.95Å; L104-L108 HydrophobicContact CD2-CD1 3.91Å; L104-L108 HydrophobicContact CG-CD1 4.46Å; R105-L108 HydrophobicContact CB-CD2 4.37Å; R105-L108 HydrophobicContact CB-CG 4.06Å; R105-L108 WeakPolarHBondContact O-CG 3.5Å; L108-F121 HydrophobicContact CB-CZ 4.28Å; L108-F121 HydrophobicContact CD1-CE1 4Å; L108-F121 HydrophobicContact CD2-CE1 4.13Å; L108-F121 HydrophobicContact CD2-CZ 4.44Å; L108-F121 HydrophobicContact CG-CE1 4.47Å; L108-V143 HydrophobicContact CB-CG1 4Å; L108-V143 HydrophobicContact CD1-CG1 4.47Å |
| 109 | P | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 157.8 | 173.1 | 28.1 | -33 | 0 | 0 | 0 | 111.3 | Y69 V119 F121 A272 C274 | Y69-P109 HydrophobicContact CD1-CG 4.44Å; Y69-P109 HydrophobicContact CD2-CG 3.78Å; Y69-P109 HydrophobicContact CE1-CG 4.13Å; Y69-P109 HydrophobicContact CE2-CG 3.4Å; Y69-P109 HydrophobicContact CG-CG 4.3Å; P109-V119 HydrophobicContact CB-CG1 4.33Å; P109-V119 HydrophobicContact CG-CG1 3.86Å; P109-F121 WeakPolarHBondContact O-CE2 3.4Å; P109-A272 VanDerWaalsContact CA-O 3.26Å; P109-A272 WeakPolarHBondContact CA-O 3.34Å; P109-C274 HydrophobicContact CB-CB 3.78Å; P109-C274 HydrophobicContact CG-CB 4.14Å |
| 110 | S | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 143 | 172.5 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | V119 V143 G145 P268 | S110-V119 WeakPolarHBondContact O-CB 3.13Å; S110-V119 WeakPolarHBondContact O-CG1 3.36Å; S110-V143 CarbonylContact C-O 3.57Å; S110-V143 WeakPolarHBondContact CA-O 3.38Å; S110-G145 WeakPolarHBondContact OG-CA 3.15Å; S110-G145 PolarHBondContact OG-N 3.06Å; S110-P268 WeakPolarHBondContact OG-CD 3.35Å; S110-P268 WeakPolarHBondContact OG-CG 3.49Å |
| 111 | S | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 143.7 | 168.3 | -61.1 | 0 | 0 | 0 | 0 | 109.7 | V119 F121 T142 V143 Y380 | S111-V119 CarbonylContact C-O 3.47Å; S111-V119 VanDerWaalsContact CA-O 3.25Å; S111-V119 WeakPolarHBondContact CA-O 3.3Å; S111-F121 WeakPolarHBondContact OG-CD2 3.3Å; S111-T142 WeakPolarHBondContact OG-CA 3.29Å; S111-V143 PolarHBondContact N-O 2.89Å; S111-V143 PolarHBondContact OG-N 3.07Å; S111-Y380 PolarHBondContact O-OH 3.1Å |
| 112 | F | 96 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 140 | -174 | 173.4 | -84.4 | 0 | 0 | 0 | 109.4 | Y118 V119 L223 F225 P267 L271 I277 V279 M357 | F112-Y118 CarbonylContact O-C 3.59Å; F112-Y118 WeakPolarHBondContact O-CA 3.25Å; F112-Y118 WeakPolarHBondContact O-CB 3.33Å; F112-V119 HydrophobicContact CB-CB 4.02Å; F112-V119 HydrophobicContact CB-CG2 4.04Å; F112-V119 PolarHBondContact N-O 2.98Å; F112-V119 PolarHBondContact O-N 3.07Å; F112-L223 HydrophobicContact CE2-CD2 3.68Å; F112-L223 HydrophobicContact CZ-CD1 3.97Å; F112-L223 HydrophobicContact CZ-CD2 3.59Å; F112-L223 HydrophobicContact CZ-CG 4.36Å; F112-F225 HydrophobicContact CE1-CE1 4.2Å; F112-F225 HydrophobicContact CE1-CZ 4.38Å; F112-P267 HydrophobicContact CD2-CB 4.28Å; F112-P267 HydrophobicContact CD2-CG 4.19Å; F112-P267 HydrophobicContact CE2-CG 4.34Å; F112-L271 HydrophobicContact CB-CD1 3.88Å; F112-L271 HydrophobicContact CD2-CD1 3.71Å; F112-L271 HydrophobicContact CE2-CD1 4.47Å; F112-L271 HydrophobicContact CG-CD1 3.81Å; F112-I277 HydrophobicContact CD1-CD1 4.14Å; F112-I277 HydrophobicContact CD1-CG2 4.04Å; F112-I277 HydrophobicContact CE1-CD1 4.46Å; F112-I277 HydrophobicContact CE1-CG2 3.86Å; F112-I277 HydrophobicContact CZ-CG2 4.21Å; F112-V279 HydrophobicContact CD2-CG2 3.87Å; F112-V279 HydrophobicContact CE2-CG2 3.54Å; F112-V279 HydrophobicContact CZ-CG2 4.41Å; F112-M357 HydrophobicContact CB-CE 4.41Å; F112-M357 HydrophobicContact CD2-CE 3.01Å; F112-M357 HydrophobicContact CE2-CE 3.14Å; F112-M357 HydrophobicContact CG-CE 3.78Å; F112-M357 HydrophobicContact CZ-CE 4Å |
| 113 | E | 94.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.2 | 179 | -69.8 | -62.7 | 163.3 | 0 | 0 | 112.5 | Y118 R120 Y358 A360 F376 P378 | E113-Y118 WeakPolarHBondContact OE2-CB 3.48Å; E113-R120 VanDerWaalsContact CD-NE 3.31Å; E113-R120 WeakPolarHBondContact OE1-CD 3.47Å; E113-R120 WeakPolarHBondContact OE1-CG 3.34Å; E113-R120 IonicContact OE1-CZ 3.79Å; E113-R120 IonicContact OE1-NE 2.7Å; E113-R120 PolarHBondContact OE1-NE 3.2Å; E113-R120 IonicContact OE1-NH2 2.74Å; E113-R120 IonicContact OE2-CZ 2.7Å; E113-R120 IonicContact OE2-NE 2.76Å; E113-R120 PolarHBondContact OE2-NE 2.87Å; E113-R120 VanDerWaalsContact OE2-NE 3.14Å; E113-R120 IonicContact OE2-NH2 3.67Å; E113-R120 PolarHBondContact OE2-NH2 2.85Å; E113-Y358 WeakPolarHBondContact CB-O 3.36Å; E113-A360 HydrophobicContact CG-CB 4.31Å; E113-A360 WeakPolarHBondContact OE2-CB 3.48Å; E113-F376 HydrophobicContact CG-CD1 4.27Å; E113-F376 HydrophobicContact CG-CE1 4.49Å; E113-P378 HydrophobicContact CB-CG 4.49Å; E113-P378 HydrophobicContact CG-CG 3.92Å |
| 114 | S | 90.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 163.9 | 168.6 | 82.1 | 0 | 0 | 0 | 0 | 110.9 | Y116 G117 F225 | S114-Y116 PolarHBondContact O-N 3.26Å; S114-Y116 VanDerWaalsContact O-N 3.15Å; S114-Y116 PolarHBondContact OG-N 3.08Å; S114-G117 WeakPolarHBondContact CB-O 3.48Å; S114-G117 PolarHBondContact N-O 2.95Å; S114-G117 PolarHBondContact O-N 3.39Å; S114-G117 VanDerWaalsContact O-O 3.11Å; S114-G117 PolarHBondContact OG-N 3.22Å; S114-G117 VanDerWaalsContact OG-N 3.1Å; S114-G117 PolarHBondContact OG-O 3.29Å; S114-F225 WeakPolarHBondContact OG-CE1 3.31Å; S114-F225 WeakPolarHBondContact OG-CZ 3.4Å |
| 115 | P | 85.4 | Confident | 94.3 | Very high | 58 Ų | 58 | 30.6 Ų | 30.6 | 38% | 0.377 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.3 | 173.1 | -24.4 | 35.5 | 0 | 0 | 0 | 113.7 | P59 Y358 | P59-P115 HydrophobicContact CB-CB 4.47Å; P59-P115 WeakPolarHBondContact CB-O 3.49Å; P59-P115 HydrophobicContact CG-CB 4.41Å; P115-Y358 HydrophobicContact CG-CD2 4.46Å |
| 116 | Y | 88.5 | Confident | 94.3 | Very high | 85 Ų | 85 | 25.7 Ų | 25.7 | 33% | 0.333 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -6.3 | -170.4 | -60.6 | -72.1 | 0 | 0 | 0 | 113.8 | L52 I53 S114 F225 | L52-Y116 PolarHBondContact N-O 3.1Å; I53-Y116 HydrophobicContact CD1-CD1 4.25Å; I53-Y116 HydrophobicContact CD1-CG 4.34Å; I53-Y116 HydrophobicContact CG1-CD1 4.09Å; I53-Y116 HydrophobicContact CG1-CG 4.43Å; I53-Y116 WeakPolarHBondContact CG1-O 3.41Å; S114-Y116 PolarHBondContact O-N 3.26Å; S114-Y116 VanDerWaalsContact O-N 3.15Å; S114-Y116 PolarHBondContact OG-N 3.08Å; Y116-F225 HydrophobicContact CD2-CE2 4.37Å; Y116-F225 HydrophobicContact CG-CE2 4.38Å |
| 117 | G | 91.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 160.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A50 S114 | A50-G117 CarbonylContact O-C 3.59Å; A50-G117 WeakPolarHBondContact O-CA 3.41Å; S114-G117 WeakPolarHBondContact CB-O 3.48Å; S114-G117 PolarHBondContact N-O 2.95Å; S114-G117 PolarHBondContact O-N 3.39Å; S114-G117 VanDerWaalsContact O-O 3.11Å; S114-G117 PolarHBondContact OG-N 3.22Å; S114-G117 VanDerWaalsContact OG-N 3.1Å; S114-G117 PolarHBondContact OG-O 3.29Å |
| 118 | Y | 94.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 16.7 Ų | 16.7 | 11% | 0.11 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160.7 | -176.1 | 60.4 | -104.1 | 0 | 0 | 0 | 111.4 | Q48 A49 A50 L52 F112 E113 R120 I277 | Q48-Y118 HydrophobicContact CG-CE2 4.09Å; Q48-Y118 PolarHBondContact NE2-OH 3.4Å; Q48-Y118 VanDerWaalsContact NE2-OH 3.08Å; A49-Y118 CarbonylContact C-O 3.51Å; A49-Y118 VanDerWaalsContact CA-O 3.23Å; A49-Y118 WeakPolarHBondContact CA-O 3.39Å; A50-Y118 HydrophobicContact CB-CD1 4.35Å; A50-Y118 HydrophobicContact CB-CD2 4.25Å; A50-Y118 HydrophobicContact CB-CE1 3.77Å; A50-Y118 HydrophobicContact CB-CE2 3.67Å; A50-Y118 PolarHBondContact N-O 3.01Å; A50-Y118 PolarHBondContact O-N 2.74Å; L52-Y118 HydrophobicContact CD1-CD1 4.06Å; L52-Y118 HydrophobicContact CD1-CE1 4.09Å; L52-Y118 HydrophobicContact CD2-CE1 4.22Å; L52-Y118 HydrophobicContact CG-CD1 4.45Å; L52-Y118 HydrophobicContact CG-CE1 4.34Å; F112-Y118 CarbonylContact O-C 3.59Å; F112-Y118 WeakPolarHBondContact O-CA 3.25Å; F112-Y118 WeakPolarHBondContact O-CB 3.33Å; E113-Y118 WeakPolarHBondContact OE2-CB 3.48Å; Y118-R120 HydrophobicContact CD2-CB 3.76Å; Y118-R120 HydrophobicContact CD2-CG 3.43Å; Y118-R120 VanDerWaalsContact CD2-CG 3.43Å; Y118-R120 HydrophobicContact CE2-CB 4.06Å; Y118-R120 HydrophobicContact CE2-CG 4.05Å; Y118-R120 HydrophobicContact CG-CG 3.94Å; Y118-R120 VanDerWaalsContact CG-NE 3.34Å; Y118-I277 WeakPolarHBondContact O-CD1 3.49Å |
| 119 | V | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.1 | 160.5 | -177.6 | 0 | 0 | 0 | 0 | 105.9 | Q48 A49 Y69 P109 S110 S111 F112 F121 I277 | Q48-V119 WeakPolarHBondContact O-CA 3.48Å; A49-V119 HydrophobicContact CB-CG2 4.03Å; Y69-V119 HydrophobicContact CE2-CG1 4.11Å; P109-V119 HydrophobicContact CB-CG1 4.33Å; P109-V119 HydrophobicContact CG-CG1 3.86Å; S110-V119 WeakPolarHBondContact O-CB 3.13Å; S110-V119 WeakPolarHBondContact O-CG1 3.36Å; S111-V119 CarbonylContact C-O 3.47Å; S111-V119 VanDerWaalsContact CA-O 3.25Å; S111-V119 WeakPolarHBondContact CA-O 3.3Å; F112-V119 HydrophobicContact CB-CB 4.02Å; F112-V119 HydrophobicContact CB-CG2 4.04Å; F112-V119 PolarHBondContact N-O 2.98Å; F112-V119 PolarHBondContact O-N 3.07Å; V119-F121 HydrophobicContact CG1-CD2 4.45Å; V119-F121 HydrophobicContact CG1-CE2 3.62Å; V119-F121 HydrophobicContact CG1-CZ 4.18Å; V119-I277 HydrophobicContact CG2-CD1 4.18Å |
| 120 | R | 96.2 | Very high | 93.5 | Very high | 45 Ų | 45 | 19 Ų | 19 | 17% | 0.17 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.7 | -172.2 | -78.2 | 175.4 | -166.5 | 163.8 | 5.6 | 111 | G47 Q48 E113 Y118 A360 | G47-R120 CarbonylContact C-O 3.59Å; G47-R120 VanDerWaalsContact CA-O 3.29Å; G47-R120 WeakPolarHBondContact CA-O 3.44Å; Q48-R120 PolarHBondContact N-O 2.98Å; Q48-R120 PolarHBondContact O-N 3.37Å; E113-R120 VanDerWaalsContact CD-NE 3.31Å; E113-R120 WeakPolarHBondContact OE1-CD 3.47Å; E113-R120 WeakPolarHBondContact OE1-CG 3.34Å; E113-R120 IonicContact OE1-CZ 3.79Å; E113-R120 IonicContact OE1-NE 2.7Å; E113-R120 PolarHBondContact OE1-NE 3.2Å; E113-R120 IonicContact OE1-NH2 2.74Å; E113-R120 IonicContact OE2-CZ 2.7Å; E113-R120 IonicContact OE2-NE 2.76Å; E113-R120 PolarHBondContact OE2-NE 2.87Å; E113-R120 VanDerWaalsContact OE2-NE 3.14Å; E113-R120 IonicContact OE2-NH2 3.67Å; E113-R120 PolarHBondContact OE2-NH2 2.85Å; Y118-R120 HydrophobicContact CD2-CB 3.76Å; Y118-R120 HydrophobicContact CD2-CG 3.43Å; Y118-R120 VanDerWaalsContact CD2-CG 3.43Å; Y118-R120 HydrophobicContact CE2-CB 4.06Å; Y118-R120 HydrophobicContact CE2-CG 4.05Å; Y118-R120 HydrophobicContact CG-CG 3.94Å; Y118-R120 VanDerWaalsContact CG-NE 3.34Å; R120-A360 VanDerWaalsContact NH2-CB 3.28Å |
| 121 | F | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.7 | 171.9 | -60.6 | -94.6 | 0 | 0 | 0 | 109.2 | F46 Y69 L108 P109 S111 V119 P140 F141 V143 | F46-F121 CarbonylContact O-C 3.6Å; F46-F121 VanDerWaalsContact O-CA 3.3Å; F46-F121 WeakPolarHBondContact O-CA 3.18Å; Y69-F121 HydrophobicContact CD2-CZ 4.21Å; L108-F121 HydrophobicContact CB-CZ 4.28Å; L108-F121 HydrophobicContact CD1-CE1 4Å; L108-F121 HydrophobicContact CD2-CE1 4.13Å; L108-F121 HydrophobicContact CD2-CZ 4.44Å; L108-F121 HydrophobicContact CG-CE1 4.47Å; P109-F121 WeakPolarHBondContact O-CE2 3.4Å; S111-F121 WeakPolarHBondContact OG-CD2 3.3Å; V119-F121 HydrophobicContact CG1-CD2 4.45Å; V119-F121 HydrophobicContact CG1-CE2 3.62Å; V119-F121 HydrophobicContact CG1-CZ 4.18Å; F121-P140 WeakPolarHBondContact O-CA 3.43Å; F121-F141 HydrophobicContact CB-CD2 4.2Å; F121-F141 HydrophobicContact CB-CE1 4.11Å; F121-F141 HydrophobicContact CB-CE2 3.74Å; F121-F141 HydrophobicContact CB-CZ 3.69Å; F121-F141 HydrophobicContact CG-CE2 4.49Å; F121-F141 PolarHBondContact O-N 2.71Å; F121-F141 VanDerWaalsContact O-N 3.15Å; F121-V143 HydrophobicContact CB-CG2 3.91Å; F121-V143 HydrophobicContact CD1-CG2 3.77Å; F121-V143 HydrophobicContact CD2-CB 3.7Å; F121-V143 HydrophobicContact CD2-CG2 3.47Å; F121-V143 VanDerWaalsContact CD2-CG2 3.47Å; F121-V143 HydrophobicContact CE1-CG2 4.13Å; F121-V143 HydrophobicContact CE2-CB 3.68Å; F121-V143 HydrophobicContact CE2-CG1 4.3Å; F121-V143 HydrophobicContact CE2-CG2 3.82Å; F121-V143 HydrophobicContact CG-CB 4.2Å; F121-V143 HydrophobicContact CG-CG2 3.44Å; F121-V143 VanDerWaalsContact CG-CG2 3.44Å; F121-V143 HydrophobicContact CZ-CB 4.21Å; F121-V143 HydrophobicContact CZ-CG1 4.43Å; F121-V143 HydrophobicContact CZ-CG2 4.14Å |
| 122 | W | 96.2 | Very high | 92.3 | Very high | 25 Ų | 25 | 36 Ų | 36 | 10% | 0.095 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 153.5 | 178.5 | 50.6 | -96 | 0 | 0 | 0 | 111.6 | R44 F46 R124 K138 R139 | R44-W122 HydrophobicContact CG-CZ3 4.48Å; F46-W122 HydrophobicContact CB-CD2 3.94Å; F46-W122 HydrophobicContact CB-CE3 3.96Å; F46-W122 HydrophobicContact CB-CH2 3.5Å; F46-W122 VanDerWaalsContact CB-CH2 3.5Å; F46-W122 HydrophobicContact CB-CZ2 3.49Å; F46-W122 VanDerWaalsContact CB-CZ2 3.49Å; F46-W122 HydrophobicContact CB-CZ3 3.72Å; F46-W122 HydrophobicContact CD1-CD2 4.46Å; F46-W122 AromaticContact CD1-CE2 3.47Å; F46-W122 VanDerWaalsContact CD1-CE2 3.47Å; F46-W122 HydrophobicContact CD1-CH2 4.14Å; F46-W122 AromaticContact CD1-CZ2 3.3Å; F46-W122 HydrophobicContact CD1-CZ2 3.3Å; F46-W122 AromaticContact CD1-NE1 3.51Å; F46-W122 HydrophobicContact CD2-CZ2 4.37Å; F46-W122 HydrophobicContact CE1-CZ2 4.07Å; F46-W122 AromaticContact CG-CE2 3.88Å; F46-W122 AromaticContact CG-CH2 3.81Å; F46-W122 HydrophobicContact CG-CH2 3.81Å; F46-W122 AromaticContact CG-CZ2 3.46Å; F46-W122 HydrophobicContact CG-CZ2 3.46Å; F46-W122 VanDerWaalsContact CG-CZ2 3.46Å; F46-W122 PolarHBondContact N-O 2.75Å; F46-W122 PolarHBondContact O-N 2.81Å; W122-R124 HydrophobicContact CE3-CB 3.8Å; W122-R124 HydrophobicContact CZ3-CB 3.46Å; W122-R124 VanDerWaalsContact CZ3-CB 3.46Å; W122-K138 HydrophobicContact CB-CG 4.21Å; W122-K138 HydrophobicContact CD2-CD 4.41Å; W122-K138 HydrophobicContact CD2-CG 4.15Å; W122-K138 HydrophobicContact CE3-CG 4.12Å; W122-K138 HydrophobicContact CG-CG 4.22Å; W122-R139 CarbonylContact C-O 3.53Å; W122-R139 WeakPolarHBondContact CA-O 3.44Å; W122-R139 WeakPolarHBondContact CB-O 3.25Å |
| 123 | C | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.3 | 166.1 | -70.7 | 0 | 0 | 0 | 0 | 109.3 | I9 F11 L43 R44 K138 R139 | I9-C123 HydrophobicContact CD1-CB 4.01Å; I9-C123 HydrophobicContact CG2-CB 4.46Å; F11-C123 HydrophobicContact CZ-CB 4.31Å; L43-C123 HydrophobicContact CD1-CB 4.07Å; R44-C123 CarbonylContact O-C 3.55Å; R44-C123 WeakPolarHBondContact O-CA 3.28Å; C123-K138 CarbonylContact O-C 3.45Å; C123-K138 WeakPolarHBondContact O-CA 3.21Å; C123-R139 PolarHBondContact N-O 2.9Å; C123-R139 PolarHBondContact O-N 3.36Å |
| 124 | R | 95.6 | Very high | 91.4 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 115.1 | 171.2 | -177.8 | 179.4 | -130.5 | 110 | 12.3 | 110 | L43 R44 W122 S136 V137 D364 D367 | L43-R124 CarbonylContact C-O 3.52Å; L43-R124 WeakPolarHBondContact CA-O 3.06Å; R44-R124 HydrophobicContact CB-CB 4.49Å; R44-R124 PolarHBondContact N-O 2.73Å; R44-R124 PolarHBondContact O-N 2.92Å; W122-R124 HydrophobicContact CE3-CB 3.8Å; W122-R124 HydrophobicContact CZ3-CB 3.46Å; W122-R124 VanDerWaalsContact CZ3-CB 3.46Å; R124-S136 PolarHBondContact NE-OG 3.18Å; R124-S136 PolarHBondContact NH2-OG 3.17Å; R124-V137 CarbonylContact C-O 3.6Å; R124-V137 VanDerWaalsContact CA-O 3.29Å; R124-V137 WeakPolarHBondContact CA-O 3.3Å; R124-D364 IonicContact CZ-OD2 2.85Å; R124-D364 IonicContact NH1-OD2 3.14Å; R124-D364 PolarHBondContact NH1-OD2 2.86Å; R124-D364 IonicContact NH2-OD2 2.73Å; R124-D364 PolarHBondContact NH2-OD2 3.06Å; R124-D367 IonicContact NH2-OD1 3.34Å; R124-D367 IonicContact NH2-OD2 3.95Å |
| 125 | A | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | L7 I9 V28 K42 L43 S136 V137 | L7-A125 HydrophobicContact CD2-CB 4.06Å; L7-A125 WeakPolarHBondContact CD2-O 3.48Å; L7-A125 HydrophobicContact CG-CB 4.31Å; I9-A125 HydrophobicContact CD1-CB 3.91Å; I9-A125 HydrophobicContact CG1-CB 3.69Å; V28-A125 HydrophobicContact CG1-CB 3.83Å; V28-A125 HydrophobicContact CG2-CB 3.83Å; K42-A125 CarbonylContact O-C 3.57Å; K42-A125 WeakPolarHBondContact O-CA 3.47Å; L43-A125 HydrophobicContact CD1-CB 4.32Å; A125-S136 CarbonylContact O-C 3.55Å; A125-S136 WeakPolarHBondContact O-CA 3.35Å; A125-S136 VanDerWaalsContact O-CB 3.26Å; A125-S136 WeakPolarHBondContact O-CB 3.28Å; A125-V137 HydrophobicContact CB-CG1 4.01Å; A125-V137 PolarHBondContact N-O 2.91Å; A125-V137 PolarHBondContact O-N 2.79Å |
| 126 | S | 94.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.5 | 178.3 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | I41 K42 H128 Q135 | I41-S126 WeakPolarHBondContact CA-O 3.41Å; K42-S126 PolarHBondContact N-O 3.15Å; K42-S126 PolarHBondContact O-N 2.85Å; K42-S126 PolarHBondContact O-OG 2.91Å; S126-H128 PolarHBondContact OG-NE2 2.93Å; S126-H128 VanDerWaalsContact OG-NE2 3.12Å; S126-Q135 CarbonylContact C-O 3.53Å; S126-Q135 WeakPolarHBondContact CA-O 3.38Å |
| 127 | L | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.2 | 177.2 | 174.5 | 67.3 | 0 | 0 | 0 | 109.3 | L6 L7 L30 V38 I41 R129 Q135 | L6-L127 HydrophobicContact CD2-CD2 3.31Å; L7-L127 HydrophobicContact CD2-CB 4.11Å; L30-L127 HydrophobicContact CD1-CD1 4.11Å; L30-L127 HydrophobicContact CD1-CD2 3.62Å; L30-L127 HydrophobicContact CD1-CG 4.4Å; L30-L127 HydrophobicContact CD2-CD1 4.39Å; V38-L127 HydrophobicContact CB-CD1 4.49Å; V38-L127 HydrophobicContact CG1-CD1 3.65Å; V38-L127 HydrophobicContact CG2-CD1 4.06Å; I41-L127 HydrophobicContact CD1-CD1 4.32Å; I41-L127 HydrophobicContact CG1-CD1 3.84Å; L127-R129 HydrophobicContact CD1-CG 4.32Å; L127-R129 HydrophobicContact CD2-CG 4.3Å; L127-R129 HydrophobicContact CG-CG 4.04Å; L127-Q135 PolarHBondContact N-O 2.68Å; L127-Q135 PolarHBondContact O-N 3.23Å |
| 128 | H | 90.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 45 Ų | 45 | 19% | 0.194 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.5 | 178.8 | -62.5 | -101 | 0 | 0 | 0 | 109.2 | Q39 A40 S126 Q134 | Q39-H128 HydrophobicContact CB-CB 4.29Å; Q39-H128 PolarHBondContact N-O 3.28Å; A40-H128 HydrophobicContact CB-CB 4.22Å; A40-H128 PolarHBondContact N-O 2.99Å; A40-H128 WeakPolarHBondContact O-CB 3.38Å; A40-H128 PolarHBondContact O-N 2.73Å; S126-H128 PolarHBondContact OG-NE2 2.93Å; S126-H128 VanDerWaalsContact OG-NE2 3.12Å; H128-Q134 PolarHBondContact CE1-OE1 2.77Å |
| 129 | R | 89.6 | Confident | 91.7 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | trans | -129.6 | 143.2 | -178.1 | -71.9 | 176.3 | -67.8 | -165.4 | -8.2 | 109.7 | L127 W131 K132 | L127-R129 HydrophobicContact CD1-CG 4.32Å; L127-R129 HydrophobicContact CD2-CG 4.3Å; L127-R129 HydrophobicContact CG-CG 4.04Å; R129-W131 PolarHBondContact O-N 2.85Å; R129-K132 HydrophobicContact CB-CB 4.04Å; R129-K132 HydrophobicContact CB-CD 4.47Å; R129-K132 PolarHBondContact O-N 2.74Å | ||
| 130 | P | 86.2 | Confident | 91.6 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 132 | 175.1 | -19 | 30.6 | 0 | 0 | 0 | 110.7 | K37 Q39 K132 | K37-P130 HydrophobicContact CB-CG 4.03Å; K37-P130 VanDerWaalsContact O-CD 3.25Å; K37-P130 WeakPolarHBondContact O-CD 3.12Å; Q39-P130 HydrophobicContact CG-CG 3.84Å; P130-K132 PolarHBondContact O-N 2.79Å |
| 131 | W | 85 | Confident | 91.6 | Very high | 261 Ų | 261 | 46.5 Ų | 46.5 | 99% | 0.989 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 16 | 172.7 | -41.2 | 102.6 | 0 | 0 | 0 | 115.6 | R129 | R129-W131 PolarHBondContact O-N 2.85Š|
| 132 | K | 84.7 | Confident | 91.6 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -121.5 | 148.2 | 173.8 | -67.5 | -171.2 | 178.9 | -174.3 | 0 | 109.4 | R129 P130 | R129-K132 HydrophobicContact CB-CB 4.04Å; R129-K132 HydrophobicContact CB-CD 4.47Å; R129-K132 PolarHBondContact O-N 2.74Å; P130-K132 PolarHBondContact O-N 2.79Å |
| 133 | P | 86 | Confident | 91.6 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 73% | 0.727 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -58.6 | 147.9 | 172.9 | 25.8 | -33.7 | 0 | 0 | 0 | 110.4 | Q135 | P133-Q135 PolarHBondContact O-N 2.95Š|
| 134 | Q | 85.9 | Confident | 91.6 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 51% | 0.514 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 125.9 | 173.8 | -177.5 | -170.6 | -63.4 | 0 | 0 | 108.4 | H128 | H128-Q134 PolarHBondContact CE1-OE1 2.77Š|
| 135 | Q | 89.3 | Confident | 91.5 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.2 | 170 | -176.9 | 174.4 | -21.2 | 0 | 0 | 108.2 | L6 S126 L127 P133 | L6-Q135 VanDerWaalsContact CD2-OE1 3.23Å; S126-Q135 CarbonylContact C-O 3.53Å; S126-Q135 WeakPolarHBondContact CA-O 3.38Å; L127-Q135 PolarHBondContact N-O 2.68Å; L127-Q135 PolarHBondContact O-N 3.23Å; P133-Q135 PolarHBondContact O-N 2.95Å |
| 136 | S | 91.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 155.6 | 173.6 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | R124 A125 | R124-S136 PolarHBondContact NE-OG 3.18Å; R124-S136 PolarHBondContact NH2-OG 3.17Å; A125-S136 CarbonylContact O-C 3.55Å; A125-S136 WeakPolarHBondContact O-CA 3.35Å; A125-S136 VanDerWaalsContact O-CB 3.26Å; A125-S136 WeakPolarHBondContact O-CB 3.28Å |
| 137 | V | 91.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.4 | 167.6 | 65.4 | 0 | 0 | 0 | 0 | 107.8 | L7 I9 R124 A125 | L7-V137 HydrophobicContact CB-CG1 4.37Å; L7-V137 HydrophobicContact CD2-CG1 3.99Å; L7-V137 HydrophobicContact CG-CG1 3.86Å; I9-V137 HydrophobicContact CD1-CG1 4.07Å; I9-V137 HydrophobicContact CG1-CG1 3.95Å; R124-V137 CarbonylContact C-O 3.6Å; R124-V137 VanDerWaalsContact CA-O 3.29Å; R124-V137 WeakPolarHBondContact CA-O 3.3Å; A125-V137 HydrophobicContact CB-CG1 4.01Å; A125-V137 PolarHBondContact N-O 2.91Å; A125-V137 PolarHBondContact O-N 2.79Å |
| 138 | K | 92.1 | Very high | 90.9 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.3 | 179.1 | -172.4 | -175.8 | -172.9 | -175.2 | 0 | 108.7 | W122 C123 I362 D364 | W122-K138 HydrophobicContact CB-CG 4.21Å; W122-K138 HydrophobicContact CD2-CD 4.41Å; W122-K138 HydrophobicContact CD2-CG 4.15Å; W122-K138 HydrophobicContact CE3-CG 4.12Å; W122-K138 HydrophobicContact CG-CG 4.22Å; C123-K138 CarbonylContact O-C 3.45Å; C123-K138 WeakPolarHBondContact O-CA 3.21Å; K138-I362 HydrophobicContact CD-CG2 4.06Å; K138-I362 PolarHBondContact NZ-O 2.89Å; K138-D364 WeakPolarHBondContact CD-OD2 3.46Å; K138-D364 IonicContact NZ-OD1 2.69Å; K138-D364 PolarHBondContact NZ-OD1 2.89Å; K138-D364 IonicContact NZ-OD2 3.62Å; K138-D364 PolarHBondContact NZ-OD2 2.87Å |
| 139 | R | 92.7 | Very high | 90.6 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.2 | 177.2 | -171.9 | 171.7 | -172.2 | 116.7 | 8.2 | 109.7 | I9 F11 D16 W122 C123 | I9-R139 HydrophobicContact CB-CB 4.06Å; I9-R139 HydrophobicContact CD1-CB 3.88Å; I9-R139 HydrophobicContact CG2-CB 4.35Å; I9-R139 WeakPolarHBondContact O-CD 3.32Å; I9-R139 PolarHBondContact O-NH1 3.17Å; F11-R139 HydrophobicContact CE2-CG 3.99Å; D16-R139 IonicContact OD1-NH2 2.75Å; D16-R139 IonicContact OD2-CZ 3.31Å; D16-R139 VanDerWaalsContact OD2-CZ 3.24Å; D16-R139 IonicContact OD2-NE 3.74Å; D16-R139 PolarHBondContact OD2-NE 3.03Å; D16-R139 IonicContact OD2-NH2 3.24Å; D16-R139 PolarHBondContact OD2-NH2 3.03Å; W122-R139 CarbonylContact C-O 3.53Å; W122-R139 WeakPolarHBondContact CA-O 3.44Å; W122-R139 WeakPolarHBondContact CB-O 3.25Å; C123-R139 PolarHBondContact N-O 2.9Å; C123-R139 PolarHBondContact O-N 3.36Å |
| 140 | P | 94.8 | Very high | 90.1 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 157.2 | 173.4 | 32.2 | -33.9 | 0 | 0 | 0 | 111.1 | F121 I362 F376 | F121-P140 WeakPolarHBondContact O-CA 3.43Å; P140-I362 HydrophobicContact CB-CD1 3.7Å; P140-I362 HydrophobicContact CB-CG2 4.29Å; P140-I362 HydrophobicContact CG-CD1 4.16Å; P140-I362 HydrophobicContact CG-CG2 4.47Å; P140-F376 HydrophobicContact CB-CB 4.36Å; P140-F376 HydrophobicContact CB-CD2 3.58Å; P140-F376 HydrophobicContact CB-CE2 3.92Å; P140-F376 HydrophobicContact CB-CG 3.91Å; P140-F376 HydrophobicContact CG-CB 4.06Å; P140-F376 HydrophobicContact CG-CD2 3.63Å; P140-F376 HydrophobicContact CG-CE2 4.35Å; P140-F376 HydrophobicContact CG-CG 4.03Å |
| 141 | F | 95.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 158.6 | 169.9 | 61.6 | -88.1 | 0 | 0 | 0 | 109.9 | F11 D16 F18 V45 F102 L104 F121 V143 | F11-F141 HydrophobicContact CE2-CB 3.93Å; F11-F141 HydrophobicContact CE2-CD1 4.43Å; F11-F141 HydrophobicContact CZ-CB 4.07Å; F11-F141 AromaticContact CZ-CD1 3.77Å; F11-F141 HydrophobicContact CZ-CD1 3.77Å; F11-F141 HydrophobicContact CZ-CG 4.15Å; D16-F141 HydrophobicContact CB-CB 4.38Å; F18-F141 HydrophobicContact CD2-CB 4.31Å; F18-F141 AromaticContact CD2-CD2 3.86Å; F18-F141 HydrophobicContact CD2-CD2 3.86Å; F18-F141 HydrophobicContact CD2-CG 4.37Å; F18-F141 HydrophobicContact CE2-CB 4.09Å; F18-F141 HydrophobicContact CE2-CD2 4.35Å; F18-F141 HydrophobicContact CE2-CG 4.43Å; V45-F141 HydrophobicContact CG1-CE1 4.2Å; V45-F141 HydrophobicContact CG1-CZ 4.07Å; F102-F141 HydrophobicContact CE2-CZ 4.34Å; F102-F141 HydrophobicContact CZ-CZ 4.33Å; L104-F141 HydrophobicContact CD1-CE2 4.5Å; L104-F141 HydrophobicContact CD2-CE2 4.12Å; L104-F141 HydrophobicContact CD2-CZ 4.36Å; F121-F141 HydrophobicContact CB-CD2 4.2Å; F121-F141 HydrophobicContact CB-CE1 4.11Å; F121-F141 HydrophobicContact CB-CE2 3.74Å; F121-F141 HydrophobicContact CB-CZ 3.69Å; F121-F141 HydrophobicContact CG-CE2 4.49Å; F121-F141 PolarHBondContact O-N 2.71Å; F121-F141 VanDerWaalsContact O-N 3.15Å; F141-V143 HydrophobicContact CD2-CG2 4.03Å; F141-V143 HydrophobicContact CE2-CG2 3.55Å |
| 142 | T | 96.8 | Very high | 89 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.2 | 177.7 | -57 | 0 | 0 | 0 | 0 | 110.4 | D16 A17 F18 S111 V144 P378 L379 | D16-T142 PolarHBondContact O-N 2.91Å; A17-T142 CarbonylContact C-O 3.56Å; A17-T142 WeakPolarHBondContact CA-O 3.47Å; F18-T142 PolarHBondContact N-O 3.01Å; S111-T142 WeakPolarHBondContact OG-CA 3.29Å; T142-V144 HydrophobicContact CG2-CG2 4.14Å; T142-P378 HydrophobicContact CG2-CB 4.14Å; T142-P378 WeakPolarHBondContact OG1-CA 3.34Å; T142-L379 WeakPolarHBondContact CG2-O 3.46Å; T142-L379 PolarHBondContact OG1-N 3.44Å |
| 143 | V | 97.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132.1 | 163.2 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | F18 A20 L104 L108 S110 S111 F121 F141 | F18-V143 CarbonylContact O-C 3.54Å; F18-V143 WeakPolarHBondContact O-CA 3.48Å; A20-V143 HydrophobicContact CB-CG1 4.38Å; L104-V143 HydrophobicContact CD1-CG2 4.07Å; L104-V143 HydrophobicContact CD2-CG2 4.4Å; L108-V143 HydrophobicContact CB-CG1 4Å; L108-V143 HydrophobicContact CD1-CG1 4.47Å; S110-V143 CarbonylContact C-O 3.57Å; S110-V143 WeakPolarHBondContact CA-O 3.38Å; S111-V143 PolarHBondContact N-O 2.89Å; S111-V143 PolarHBondContact OG-N 3.07Å; F121-V143 HydrophobicContact CB-CG2 3.91Å; F121-V143 HydrophobicContact CD1-CG2 3.77Å; F121-V143 HydrophobicContact CD2-CB 3.7Å; F121-V143 HydrophobicContact CD2-CG2 3.47Å; F121-V143 VanDerWaalsContact CD2-CG2 3.47Å; F121-V143 HydrophobicContact CE1-CG2 4.13Å; F121-V143 HydrophobicContact CE2-CB 3.68Å; F121-V143 HydrophobicContact CE2-CG1 4.3Å; F121-V143 HydrophobicContact CE2-CG2 3.82Å; F121-V143 HydrophobicContact CG-CB 4.2Å; F121-V143 HydrophobicContact CG-CG2 3.44Å; F121-V143 VanDerWaalsContact CG-CG2 3.44Å; F121-V143 HydrophobicContact CZ-CB 4.21Å; F121-V143 HydrophobicContact CZ-CG1 4.43Å; F121-V143 HydrophobicContact CZ-CG2 4.14Å; F141-V143 HydrophobicContact CD2-CG2 4.03Å; F141-V143 HydrophobicContact CE2-CG2 3.55Å |
| 144 | V | 96.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 101.5 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | F18 Y19 A20 T142 T306 Y351 P381 | F18-V144 PolarHBondContact O-N 2.98Å; Y19-V144 CarbonylContact C-O 3.56Å; Y19-V144 VanDerWaalsContact CA-O 3.31Å; Y19-V144 WeakPolarHBondContact CA-O 3.48Å; Y19-V144 HydrophobicContact CD1-CB 3.89Å; Y19-V144 HydrophobicContact CD1-CG1 3.71Å; Y19-V144 WeakPolarHBondContact CD1-O 3.42Å; Y19-V144 HydrophobicContact CE1-CB 4.15Å; Y19-V144 HydrophobicContact CE1-CG1 3.53Å; Y19-V144 HydrophobicContact CG-CB 4.27Å; A20-V144 PolarHBondContact N-O 3.43Å; T142-V144 HydrophobicContact CG2-CG2 4.14Å; V144-T306 HydrophobicContact CG1-CG2 3.63Å; V144-Y351 HydrophobicContact CG2-CE1 4.31Å; V144-P381 HydrophobicContact CG1-CG 4.03Å |
| 145 | G | 94.1 | Very high | 85.7 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | trans | -61.1 | 138.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S110 L147 T306 | S110-G145 WeakPolarHBondContact OG-CA 3.15Å; S110-G145 PolarHBondContact OG-N 3.06Å; G145-L147 PolarHBondContact O-N 3.46Å; G145-T306 WeakPolarHBondContact O-CG2 3.37Å; G145-T306 PolarHBondContact O-OG1 2.72Å | ||
| 146 | I | 91.2 | Very high | 84.6 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | trans | -78.6 | 119.1 | -178.7 | -63.1 | 174.4 | 0 | 0 | 0 | 108.7 | Y19 Q148 V307 P338 A340 | Y19-I146 HydrophobicContact CD1-CG1 3.98Å; I146-Q148 HydrophobicContact CG2-CG 3.68Å; I146-V307 HydrophobicContact CG2-CG2 4.34Å; I146-P338 HydrophobicContact CD1-CB 4.5Å; I146-A340 HydrophobicContact CD1-CB 4.46Å; I146-A340 HydrophobicContact CG2-CB 4.36Å | ||
| 147 | L | 90.5 | Very high | 83.6 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | trans | -129 | 92.9 | 166.3 | 176 | 56.4 | 0 | 0 | 0 | 107.2 | G145 R152 P268 V303 I304 T306 V307 | G145-L147 PolarHBondContact O-N 3.46Å; L147-R152 HydrophobicContact CD1-CG 4Å; L147-P268 HydrophobicContact CB-CB 4.12Å; L147-P268 HydrophobicContact CD2-CB 3.96Å; L147-V303 HydrophobicContact CD2-CG1 4.36Å; L147-I304 WeakPolarHBondContact CD2-O 3.38Å; L147-T306 PolarHBondContact N-OG1 3.02Å; L147-T306 PolarHBondContact O-N 3.06Å; L147-V307 PolarHBondContact O-N 3.43Å | ||
| 148 | Q | 87 | Confident | 82.6 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -75 | 129.9 | 174.5 | -54.5 | 179.4 | 102.8 | 0 | 0 | 108.7 | I146 S150 D151 V307 A340 | I146-Q148 HydrophobicContact CG2-CG 3.68Å; Q148-S150 WeakPolarHBondContact CB-OG 3.26Å; Q148-S150 PolarHBondContact O-N 3.39Å; Q148-D151 PolarHBondContact NE2-OD2 3.02Å; Q148-D151 PolarHBondContact O-N 2.83Å; Q148-D151 VanDerWaalsContact O-N 3.15Å; Q148-V307 HydrophobicContact CB-CB 4.43Å; Q148-V307 HydrophobicContact CG-CB 4.03Å; Q148-V307 HydrophobicContact CG-CG1 4.33Å; Q148-V307 HydrophobicContact CG-CG2 4.34Å; Q148-A340 HydrophobicContact CG-CB 4.41Å |
| 149 | L | 84.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -66.1 | -25.7 | 180 | -63.3 | -172.8 | 0 | 0 | 0 | 112.2 | D151 R152 F156 A191 V193 V303 V307 | L149-D151 PolarHBondContact O-N 2.6Å; L149-R152 PolarHBondContact O-N 3.47Å; L149-F156 HydrophobicContact CB-CE1 4.49Å; L149-F156 HydrophobicContact CB-CE2 4.01Å; L149-F156 HydrophobicContact CB-CZ 3.46Å; L149-F156 VanDerWaalsContact CB-CZ 3.46Å; L149-F156 HydrophobicContact CD1-CE1 4.48Å; L149-F156 HydrophobicContact CD1-CZ 4.17Å; L149-F156 HydrophobicContact CG-CZ 4.48Å; L149-F156 WeakPolarHBondContact O-CE2 3.29Å; L149-A191 HydrophobicContact CD1-CB 4.16Å; L149-A191 HydrophobicContact CD2-CB 4Å; L149-V193 HydrophobicContact CD1-CG1 3.87Å; L149-V193 HydrophobicContact CG-CG1 4.18Å; L149-V303 HydrophobicContact CD2-CG1 4.21Å; L149-V307 PolarHBondContact N-O 2.95Å; L149-V307 VanDerWaalsContact N-O 3.13Å |
| 150 | S | 79.2 | Confident | 80.8 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 43% | 0.434 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -54.9 | -32.7 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | Q148 R152 | Q148-S150 WeakPolarHBondContact CB-OG 3.26Å; Q148-S150 PolarHBondContact O-N 3.39Å; S150-R152 VanDerWaalsContact C-N 3.26Å; S150-R152 PolarHBondContact O-N 2.65Å |
| 151 | D | 76.5 | Confident | 79.8 | Confident | 103 Ų | 103 | 55.7 Ų | 55.7 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -82.6 | -9.4 | -172.6 | -57 | -14.2 | 0 | 0 | 0 | 111.7 | Q148 L149 | Q148-D151 PolarHBondContact NE2-OD2 3.02Å; Q148-D151 PolarHBondContact O-N 2.83Å; Q148-D151 VanDerWaalsContact O-N 3.15Å; L149-D151 PolarHBondContact O-N 2.6Å |
| 152 | R | 72.8 | Confident | 78.4 | Confident | 83 Ų | 83 | 60 Ų | 60 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -97.3 | 101.8 | -179.7 | -68.4 | -67.2 | -169.9 | 153.2 | 9.9 | 110.4 | L147 L149 S150 G154 A155 D270 V303 | L147-R152 HydrophobicContact CD1-CG 4Å; L149-R152 PolarHBondContact O-N 3.47Å; S150-R152 VanDerWaalsContact C-N 3.26Å; S150-R152 PolarHBondContact O-N 2.65Å; R152-G154 PolarHBondContact O-N 2.85Å; R152-A155 HydrophobicContact CB-CB 3.9Å; R152-A155 WeakPolarHBondContact O-CB 3.36Å; R152-A155 PolarHBondContact O-N 3.12Å; R152-A155 VanDerWaalsContact O-N 3.1Å; R152-D270 IonicContact CZ-OD2 3.23Å; R152-D270 IonicContact NH1-OD2 2.7Å; R152-D270 PolarHBondContact NH1-OD2 3.45Å; R152-D270 IonicContact NH2-OD2 3.52Å; R152-D270 PolarHBondContact NH2-OD2 3.27Å; R152-V303 HydrophobicContact CG-CG1 4.26Å |
| 153 | M | 59.4 | Low | 77.3 | Confident | 193 Ų | 193 | 62.9 Ų | 62.9 | 95% | 0.951 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 127.8 | 171.7 | -70.3 | -69.4 | -70.8 | 0 | 0 | 111.4 | A155 | M153-A155 PolarHBondContact O-N 3.36Š|
| 154 | G | 64.3 | Low | 76 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -0.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R152 F156 L157 | R152-G154 PolarHBondContact O-N 2.85Å; G154-F156 PolarHBondContact O-N 2.94Å; G154-F156 VanDerWaalsContact O-N 3.1Å; G154-L157 PolarHBondContact O-N 3.06Å; G154-L157 VanDerWaalsContact O-N 3.09Å |
| 155 | A | 62.7 | Low | 74.7 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -34.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | R152 M153 C190 A191 | R152-A155 HydrophobicContact CB-CB 3.9Å; R152-A155 WeakPolarHBondContact O-CB 3.36Å; R152-A155 PolarHBondContact O-N 3.12Å; R152-A155 VanDerWaalsContact O-N 3.1Å; M153-A155 PolarHBondContact O-N 3.36Å; A155-C190 CarbonylContact O-C 3.6Å; A155-C190 PolarHBondContact O-N 3.41Å; A155-A191 HydrophobicContact CB-CB 3.43Å; A155-A191 VanDerWaalsContact CB-CB 3.43Å; A155-A191 WeakPolarHBondContact O-CB 3.01Å; A155-A191 PolarHBondContact O-N 3.29Å; A155-A191 VanDerWaalsContact O-N 3.14Å |
| 156 | F | 66.7 | Low | 73.2 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 10.5 | -175 | -56.4 | -78.7 | 0 | 0 | 0 | 113.8 | L149 G154 L309 | L149-F156 HydrophobicContact CB-CE1 4.49Å; L149-F156 HydrophobicContact CB-CE2 4.01Å; L149-F156 HydrophobicContact CB-CZ 3.46Å; L149-F156 VanDerWaalsContact CB-CZ 3.46Å; L149-F156 HydrophobicContact CD1-CE1 4.48Å; L149-F156 HydrophobicContact CD1-CZ 4.17Å; L149-F156 HydrophobicContact CG-CZ 4.48Å; L149-F156 WeakPolarHBondContact O-CE2 3.29Å; G154-F156 PolarHBondContact O-N 2.94Å; G154-F156 VanDerWaalsContact O-N 3.1Å; F156-L309 HydrophobicContact CD2-CD1 4.08Å; F156-L309 HydrophobicContact CE1-CB 4.07Å; F156-L309 HydrophobicContact CE1-CD2 4.42Å; F156-L309 HydrophobicContact CE2-CB 4.26Å; F156-L309 HydrophobicContact CE2-CD1 3.39Å; F156-L309 HydrophobicContact CE2-CD2 4.36Å; F156-L309 HydrophobicContact CE2-CG 4.2Å; F156-L309 HydrophobicContact CZ-CB 3.61Å; F156-L309 HydrophobicContact CZ-CD1 3.69Å; F156-L309 HydrophobicContact CZ-CD2 4.26Å; F156-L309 HydrophobicContact CZ-CG 4.04Å |
| 157 | L | 69.6 | Low | 71.7 | Confident | 117 Ų | 117 | 77.8 Ų | 77.8 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75.7 | 132 | 170.6 | -67.4 | 173.4 | 0 | 0 | 0 | 108.5 | G154 S159 | G154-L157 PolarHBondContact O-N 3.06Å; G154-L157 VanDerWaalsContact O-N 3.09Å; L157-S159 PolarHBondContact O-N 3.05Å |
| 158 | P | 70.3 | Confident | 69.7 | Low | 93 Ų | 93 | 81.1 Ų | 81.1 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | trans | -57.8 | 140.5 | 171.8 | 25.2 | -33.2 | 0 | 0 | 0 | 109.1 | D188 | P158-D188 VanDerWaalsContact CA-O 3.27Å; P158-D188 WeakPolarHBondContact CA-O 3.46Å | ||
| 159 | S | 74.8 | Confident | 67.6 | Low | 24 Ų | 24 | 85.4 Ų | 85.4 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.3 | 179.3 | -164.5 | 0 | 0 | 0 | 0 | 110.5 | L157 N186 I187 C190 | L157-S159 PolarHBondContact O-N 3.05Å; S159-N186 PolarHBondContact O-OD1 2.97Å; S159-I187 PolarHBondContact N-O 2.84Å; S159-I187 PolarHBondContact O-N 3.38Å; S159-C190 WeakPolarHBondContact CB-SG 3.35Å |
| 160 | Q | 72.8 | Confident | 65.7 | Low | 120 Ų | 120 | 94.7 Ų | 94.7 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.1 | 173.7 | -171.3 | 177.8 | 2.4 | 0 | 0 | 109.6 | N184 N186 | Q160-N184 PolarHBondContact NE2-ND2 3.36Å; Q160-N186 HydrophobicContact CG-CB 4.37Å |
| 161 | R | 73.7 | Confident | 64 | Low | 128 Ų | 128 | 100.9 Ų | 100.9 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.5 | 171.8 | -67 | -63.5 | -175.8 | 158.3 | -1.7 | 109.4 | N184 L185 V298 I300 | R161-N184 PolarHBondContact O-OD1 2.9Å; R161-L185 PolarHBondContact N-O 2.89Å; R161-L185 PolarHBondContact O-N 2.93Å; R161-V298 HydrophobicContact CB-CB 4.4Å; R161-I300 HydrophobicContact CB-CD1 4.43Å; R161-I300 HydrophobicContact CB-CG1 4.3Å; R161-I300 HydrophobicContact CG-CD1 4.07Å; R161-I300 HydrophobicContact CG-CG1 3.62Å |
| 162 | C | 66 | Low | 62.3 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 133 | 173.8 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 163 | I | 74.8 | Confident | 61 | Low | 62 Ų | 62 | 109 Ų | 109 | 32% | 0.318 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.3 | 173.5 | -81.1 | -177 | 0 | 0 | 0 | 109 | R165 M183 V296 H297 V298 | I163-R165 HydrophobicContact CG2-CG 4.01Å; I163-M183 PolarHBondContact N-O 2.7Å; I163-M183 PolarHBondContact O-N 2.8Å; I163-M183 VanDerWaalsContact O-O 3.06Å; I163-V296 HydrophobicContact CG2-CG1 4.08Å; I163-H297 WeakPolarHBondContact CD1-O 3.09Å; I163-V298 HydrophobicContact CB-CG1 3.68Å; I163-V298 HydrophobicContact CD1-CB 4.45Å; I163-V298 HydrophobicContact CD1-CG1 3.64Å; I163-V298 HydrophobicContact CG1-CG1 3.71Å |
| 164 | Q | 69.2 | Low | 60.3 | Low | 140 Ų | 140 | 107.4 Ų | 107.4 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 127 | 167.9 | 177.1 | 169.8 | -11.7 | 0 | 0 | 108.7 | T182 | Q164-T182 HydrophobicContact CB-CG2 4.24Å; Q164-T182 HydrophobicContact CG-CG2 3.81Å |
| 165 | R | 68.3 | Low | 59.4 | Low | 143 Ų | 143 | 111.3 Ų | 111.3 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.1 | 177.2 | -86.7 | -80.9 | -176.5 | 149.7 | -1.6 | 108.9 | I163 G180 V181 V296 | I163-R165 HydrophobicContact CG2-CG 4.01Å; R165-G180 CarbonylContact O-C 3.41Å; R165-G180 VanDerWaalsContact O-CA 3.3Å; R165-G180 WeakPolarHBondContact O-CA 3.36Å; R165-V181 PolarHBondContact N-O 3.15Å; R165-V181 PolarHBondContact O-N 2.94Å; R165-V296 HydrophobicContact CB-CB 4.42Å; R165-V296 HydrophobicContact CB-CG1 3.98Å; R165-V296 HydrophobicContact CB-CG2 3.59Å; R165-V296 HydrophobicContact CG-CB 4.45Å; R165-V296 HydrophobicContact CG-CG1 3.86Å; R165-V296 HydrophobicContact CG-CG2 3.98Å |
| 166 | T | 62.4 | Low | 58.7 | Low | 66 Ų | 66 | 116.7 Ų | 116.7 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.1 | 174.1 | -51.8 | 0 | 0 | 0 | 0 | 109.8 | S168 A178 | T166-S168 PolarHBondContact O-N 3.12Å; T166-A178 HydrophobicContact CG2-CB 3.58Å; T166-A178 WeakPolarHBondContact CG2-O 3.38Å |
| 167 | F | 59.8 | Low | 58 | Low | 25 Ų | 25 | 118.4 Ų | 118.4 | 11% | 0.11 | 61% | 0.61 | C | S | . | * | trans | -94.4 | 92.6 | 173.2 | -65.5 | -85.6 | 0 | 0 | 0 | 107.7 | F169 V181 K210 V289 P294 V296 | F167-F169 PolarHBondContact O-N 3.04Å; F167-F169 VanDerWaalsContact O-N 3.13Å; F167-V181 HydrophobicContact CD2-CG2 4.32Å; F167-V181 HydrophobicContact CE2-CB 3.98Å; F167-V181 HydrophobicContact CE2-CG2 3.6Å; F167-K210 HydrophobicContact CD1-CD 4.38Å; F167-V289 HydrophobicContact CE1-CG2 4.3Å; F167-V289 HydrophobicContact CZ-CG2 3.75Å; F167-P294 HydrophobicContact CD1-CG 4.39Å; F167-P294 HydrophobicContact CE1-CG 3.89Å; F167-P294 WeakPolarHBondContact CE1-O 3.34Å; F167-V296 HydrophobicContact CE2-CG2 4.09Å; F167-V296 HydrophobicContact CZ-CG2 3.72Å | ||
| 168 | S | 49 | Very low | 57.3 | Low | 83 Ų | 83 | 115.6 Ų | 115.6 | 58% | 0.58 | 60% | 0.603 | S | S | * | * | trans | -71.4 | 108.2 | 176.3 | -62 | 0 | 0 | 0 | 0 | 109.9 | T166 | T166-S168 PolarHBondContact O-N 3.12Š| ||
| 169 | F | 43.9 | Very low | 57.4 | Low | 147 Ų | 147 | 112.4 Ų | 112.4 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | trans | -94.9 | 109.1 | 159.2 | -136.1 | -93 | 0 | 0 | 0 | 106.5 | F167 | F167-F169 PolarHBondContact O-N 3.04Å; F167-F169 VanDerWaalsContact O-N 3.13Å | ||
| 170 | W | 42.7 | Very low | 57.9 | Low | 197 Ų | 197 | 111.5 Ų | 111.5 | 75% | 0.746 | 58% | 0.581 | S | S | * | * | trans | 55.5 | 91.5 | 167.4 | -84.5 | 65.8 | 0 | 0 | 0 | 116.5 | R172 | W170-R172 HydrophobicContact CE3-CB 3.53Å; W170-R172 HydrophobicContact CE3-CG 4.46Å; W170-R172 HydrophobicContact CZ3-CB 3.93Å; W170-R172 HydrophobicContact CZ3-CG 4.49Å; W170-R172 PolarHBondContact O-N 2.85Å | ||
| 171 | E | 44.5 | Very low | 58.7 | Low | 192 Ų | 192 | 105.8 Ų | 105.8 | 90% | 0.897 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 47.5 | 157.5 | -70.4 | -174.9 | 149.5 | 0 | 0 | 112.5 | ||
| 172 | R | 40.7 | Very low | 59.5 | Low | 202 Ų | 202 | 101.2 Ų | 101.2 | 76% | 0.762 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 4.1 | 175.5 | -111.9 | -175.9 | -155.5 | -117.7 | 4.6 | 115.8 | W170 | W170-R172 HydrophobicContact CE3-CB 3.53Å; W170-R172 HydrophobicContact CE3-CG 4.46Å; W170-R172 HydrophobicContact CZ3-CB 3.93Å; W170-R172 HydrophobicContact CZ3-CG 4.49Å; W170-R172 PolarHBondContact O-N 2.85Å |
| 173 | L | 45.7 | Very low | 60.8 | Low | 154 Ų | 154 | 96.9 Ų | 96.9 | 81% | 0.806 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -141.7 | 96.3 | 171 | -136.9 | 69.2 | 0 | 0 | 0 | 112.9 | ||
| 174 | I | 45.2 | Very low | 61.6 | Low | 159 Ų | 159 | 96 Ų | 96 | 82% | 0.815 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -14 | 123.9 | 156.5 | -63.1 | 157 | 0 | 0 | 0 | 113.6 | ||
| 175 | C | 44 | Very low | 62.8 | Low | 122 Ų | 122 | 89.3 Ų | 89.3 | 82% | 0.824 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | 3.3 | 165.1 | -61.6 | 0 | 0 | 0 | 0 | 121.6 | ||
| 176 | C | 47.7 | Very low | 63.9 | Low | 118 Ų | 118 | 85.3 Ų | 85.3 | 80% | 0.797 | 47% | 0.466 | S | S | * | . | trans | -112.3 | 112 | 169.6 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | A178 | C176-A178 PolarHBondContact O-N 2.84Å; C176-A178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | A | 53.8 | Low | 65.3 | Low | 103 Ų | 103 | 82.1 Ų | 82.1 | 85% | 0.851 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 118.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | G179 | A177-G179 PolarHBondContact O-N 2.92Š|
| 178 | A | 54.8 | Low | 66.5 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -59 | 116.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T166 C176 | T166-A178 HydrophobicContact CG2-CB 3.58Å; T166-A178 WeakPolarHBondContact CG2-O 3.38Å; C176-A178 PolarHBondContact O-N 2.84Å; C176-A178 VanDerWaalsContact O-N 3.1Å |
| 179 | G | 71.3 | Confident | 68.3 | Low | 26 Ų | 26 | 83 Ų | 83 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 148.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A177 Y207 | A177-G179 PolarHBondContact O-N 2.92Å; G179-Y207 CarbonylContact C-O 3.5Å; G179-Y207 WeakPolarHBondContact CA-O 3.29Å |
| 180 | G | 85.7 | Confident | 70.5 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 171.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | R165 Y207 | R165-G180 CarbonylContact O-C 3.41Å; R165-G180 VanDerWaalsContact O-CA 3.3Å; R165-G180 WeakPolarHBondContact O-CA 3.36Å; G180-Y207 CarbonylContact O-C 3.51Å; G180-Y207 WeakPolarHBondContact O-CA 3.42Å; G180-Y207 VanDerWaalsContact O-CB 3.31Å; G180-Y207 WeakPolarHBondContact O-CB 3.18Å; G180-Y207 PolarHBondContact O-N 2.69Å |
| 181 | V | 89.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.1 | 170.2 | 174.4 | 0 | 0 | 0 | 0 | 108.4 | R165 F167 V204 S205 N206 I212 A287 V296 | R165-V181 PolarHBondContact N-O 3.15Å; R165-V181 PolarHBondContact O-N 2.94Å; F167-V181 HydrophobicContact CD2-CG2 4.32Å; F167-V181 HydrophobicContact CE2-CB 3.98Å; F167-V181 HydrophobicContact CE2-CG2 3.6Å; V181-V204 HydrophobicContact CG1-CG1 4.12Å; V181-S205 WeakPolarHBondContact CA-O 3.43Å; V181-N206 HydrophobicContact CG2-CB 4.44Å; V181-N206 WeakPolarHBondContact CG2-OD1 3.23Å; V181-I212 HydrophobicContact CB-CD1 4.4Å; V181-I212 HydrophobicContact CG1-CD1 3.68Å; V181-I212 HydrophobicContact CG2-CD1 3.75Å; V181-I212 HydrophobicContact CG2-CG1 4.18Å; V181-A287 HydrophobicContact CG1-CB 4.5Å; V181-V296 HydrophobicContact CB-CG2 4.12Å; V181-V296 HydrophobicContact CG1-CB 4.47Å; V181-V296 HydrophobicContact CG1-CG2 4.26Å |
| 182 | T | 90.7 | Very high | 75 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 20% | 0.202 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.7 | 172.3 | 57.9 | 0 | 0 | 0 | 0 | 108.6 | Q164 V204 S205 Y207 | Q164-T182 HydrophobicContact CB-CG2 4.24Å; Q164-T182 HydrophobicContact CG-CG2 3.81Å; T182-V204 WeakPolarHBondContact O-CA 3.5Å; T182-S205 PolarHBondContact N-O 2.94Å; T182-S205 PolarHBondContact O-N 3.31Å; T182-S205 WeakPolarHBondContact OG1-CB 3.46Å; T182-S205 PolarHBondContact OG1-O 3.14Å; T182-Y207 HydrophobicContact CG2-CD2 4.5Å; T182-Y207 HydrophobicContact CG2-CE2 4.44Å |
| 183 | M | 92.7 | Very high | 77.5 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 124.2 | -178.2 | -178.6 | 163.6 | 74.9 | 0 | 0 | 110.6 | I163 E203 V204 F285 A287 V296 H297 V298 | I163-M183 PolarHBondContact N-O 2.7Å; I163-M183 PolarHBondContact O-N 2.8Å; I163-M183 VanDerWaalsContact O-O 3.06Å; M183-E203 CarbonylContact C-O 3.58Å; M183-E203 WeakPolarHBondContact CA-O 3.45Å; M183-V204 HydrophobicContact CB-CG2 4.49Å; M183-V204 HydrophobicContact CG-CG2 3.94Å; M183-V204 HydrophobicContact SD-CG2 4.11Å; M183-F285 HydrophobicContact CE-CD1 4.21Å; M183-F285 VanDerWaalsContact CE-O 3.31Å; M183-F285 WeakPolarHBondContact CE-O 3.45Å; M183-F285 HydrophobicContact CG-CD1 3.7Å; M183-F285 HydrophobicContact CG-CE1 3.68Å; M183-F285 HydrophobicContact SD-CD1 3.36Å; M183-F285 WeakPolarHBondContact SD-CD1 3.41Å; M183-F285 HydrophobicContact SD-CE1 3.62Å; M183-F285 HydrophobicContact SD-CG 4.38Å; M183-A287 HydrophobicContact SD-CB 4.33Å; M183-V296 HydrophobicContact CB-CG1 4.47Å; M183-V296 HydrophobicContact CE-CG1 3.9Å; M183-H297 VanDerWaalsContact CE-C 3.47Å; M183-H297 VanDerWaalsContact CE-CA 3.45Å; M183-V298 HydrophobicContact CE-CB 4.22Å; M183-V298 HydrophobicContact CE-CG1 3.8Å; M183-V298 HydrophobicContact CE-CG2 4.02Å; M183-V298 VanDerWaalsContact CE-N 3.3Å |
| 184 | N | 92.6 | Very high | 79.8 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.4 | 175.2 | -176.1 | 8.6 | 0 | 0 | 0 | 109 | Q160 R161 G202 E203 | Q160-N184 PolarHBondContact NE2-ND2 3.36Å; R161-N184 PolarHBondContact O-OD1 2.9Å; N184-G202 CarbonylContact O-C 3.57Å; N184-G202 WeakPolarHBondContact O-CA 3.25Å; N184-E203 PolarHBondContact N-O 3.27Å; N184-E203 PolarHBondContact O-N 2.92Å |
| 185 | L | 93.8 | Very high | 82 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.9 | 172.3 | -179.1 | 71.4 | 0 | 0 | 0 | 108.7 | R161 L200 N201 L283 F285 V298 I300 | R161-L185 PolarHBondContact N-O 2.89Å; R161-L185 PolarHBondContact O-N 2.93Å; L185-L200 HydrophobicContact CD1-CB 4.44Å; L185-L200 HydrophobicContact CD1-CD2 4.4Å; L185-N201 CarbonylContact C-O 3.57Å; L185-L283 HydrophobicContact CD2-CD2 4.03Å; L185-L283 HydrophobicContact CD2-CG 4.48Å; L185-F285 HydrophobicContact CB-CD1 4.15Å; L185-F285 HydrophobicContact CD1-CD1 4.32Å; L185-F285 HydrophobicContact CD1-CD2 4.31Å; L185-F285 HydrophobicContact CD1-CG 4.19Å; L185-F285 HydrophobicContact CD2-CB 3.7Å; L185-F285 HydrophobicContact CD2-CG 4.17Å; L185-V298 HydrophobicContact CB-CG2 3.85Å; L185-V298 HydrophobicContact CD2-CG2 4.02Å; L185-I300 HydrophobicContact CD2-CD1 3.73Å; L185-I300 HydrophobicContact CD2-CG1 4.34Å; L185-I300 HydrophobicContact CG-CD1 4.11Å |
| 186 | N | 92.3 | Very high | 84.2 | Confident | 59 Ų | 59 | 29.6 Ų | 29.6 | 32% | 0.316 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.1 | 176 | -174.4 | 22 | 0 | 0 | 0 | 109.2 | S159 Q160 N201 | S159-N186 PolarHBondContact O-OD1 2.97Å; Q160-N186 HydrophobicContact CG-CB 4.37Å; N186-N201 HydrophobicContact CB-CB 4.34Å; N186-N201 PolarHBondContact N-O 2.75Å; N186-N201 WeakPolarHBondContact O-CB 3.19Å; N186-N201 PolarHBondContact O-N 3.04Å; N186-N201 VanDerWaalsContact O-O 3.09Å |
| 187 | I | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.2 | 171.5 | 62.4 | 178 | 0 | 0 | 0 | 108.7 | S159 R189 I198 L200 L283 I300 I302 | S159-I187 PolarHBondContact N-O 2.84Å; S159-I187 PolarHBondContact O-N 3.38Å; I187-R189 VanDerWaalsContact C-N 3.31Å; I187-R189 WeakPolarHBondContact CD1-O 3.48Å; I187-R189 WeakPolarHBondContact CG1-O 3.37Å; I187-R189 PolarHBondContact O-N 3.13Å; I187-I198 HydrophobicContact CB-CG2 4.4Å; I187-I198 HydrophobicContact CG2-CG2 3.93Å; I187-L200 HydrophobicContact CG2-CD2 4.04Å; I187-L283 HydrophobicContact CD1-CD2 4.27Å; I187-L283 HydrophobicContact CG2-CD2 3.96Å; I187-I300 HydrophobicContact CD1-CB 4.33Å; I187-I300 HydrophobicContact CD1-CD1 4.02Å; I187-I300 HydrophobicContact CD1-CG2 3.71Å; I187-I300 HydrophobicContact CG1-CD1 4.04Å; I187-I300 HydrophobicContact CG1-CG2 4.5Å; I187-I302 HydrophobicContact CD1-CD1 3.59Å |
| 188 | D | 84.9 | Confident | 88.2 | Confident | 77 Ų | 77 | 22.3 Ų | 22.3 | 41% | 0.412 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -68.2 | -29.8 | -176.1 | 62.6 | -38.8 | 0 | 0 | 0 | 113.1 | P158 | P158-D188 VanDerWaalsContact CA-O 3.27Å; P158-D188 WeakPolarHBondContact CA-O 3.46Å |
| 189 | R | 86.9 | Confident | 90.1 | Very high | 50 Ų | 50 | 22 Ų | 22 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | trans | -153.4 | 165.2 | 175.7 | 64.3 | -169.8 | -169.2 | -168.2 | 5.2 | 111.9 | I187 A191 F192 E196 | I187-R189 VanDerWaalsContact C-N 3.31Å; I187-R189 WeakPolarHBondContact CD1-O 3.48Å; I187-R189 WeakPolarHBondContact CG1-O 3.37Å; I187-R189 PolarHBondContact O-N 3.13Å; R189-A191 PolarHBondContact NE-O 3.22Å; R189-F192 HydrophobicContact CG-CE1 3.77Å; R189-F192 HydrophobicContact CG-CE2 4.1Å; R189-F192 HydrophobicContact CG-CZ 3.48Å; R189-F192 VanDerWaalsContact CG-CZ 3.48Å; R189-F192 VanDerWaalsContact O-CE2 3.25Å; R189-F192 WeakPolarHBondContact O-CE2 3.36Å; R189-F192 WeakPolarHBondContact O-CZ 3.19Å; R189-E196 IonicContact CZ-OE1 3.87Å; R189-E196 IonicContact CZ-OE2 3.45Å; R189-E196 IonicContact NH2-OE1 2.79Å; R189-E196 PolarHBondContact NH2-OE1 3.43Å; R189-E196 IonicContact NH2-OE2 3.74Å; R189-E196 PolarHBondContact NH2-OE2 2.88Å | ||
| 190 | C | 88.9 | Confident | 91.2 | Very high | 18 Ų | 18 | 20.7 Ų | 20.7 | 12% | 0.122 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -110.4 | 6.4 | -178.4 | -71 | 0 | 0 | 0 | 0 | 113.6 | A155 S159 I302 V303 | A155-C190 CarbonylContact O-C 3.6Å; A155-C190 PolarHBondContact O-N 3.41Å; S159-C190 WeakPolarHBondContact CB-SG 3.35Å; C190-I302 CarbonylContact O-C 3.55Å; C190-I302 WeakPolarHBondContact O-CA 3.21Å; C190-V303 PolarHBondContact O-N 2.94Å |
| 191 | A | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L149 A155 R189 V303 | L149-A191 HydrophobicContact CD1-CB 4.16Å; L149-A191 HydrophobicContact CD2-CB 4Å; A155-A191 HydrophobicContact CB-CB 3.43Å; A155-A191 VanDerWaalsContact CB-CB 3.43Å; A155-A191 WeakPolarHBondContact O-CB 3.01Å; A155-A191 PolarHBondContact O-N 3.29Å; A155-A191 VanDerWaalsContact O-N 3.14Å; R189-A191 PolarHBondContact NE-O 3.22Å; A191-V303 VanDerWaalsContact CA-O 3.28Å; A191-V303 WeakPolarHBondContact CA-O 3.39Å; A191-V303 HydrophobicContact CB-CB 4.04Å |
| 192 | F | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.8 | -173.6 | -60.6 | -90.8 | 0 | 0 | 0 | 110.6 | R189 E196 I198 V263 I302 V303 I304 G305 | R189-F192 HydrophobicContact CG-CE1 3.77Å; R189-F192 HydrophobicContact CG-CE2 4.1Å; R189-F192 HydrophobicContact CG-CZ 3.48Å; R189-F192 VanDerWaalsContact CG-CZ 3.48Å; R189-F192 VanDerWaalsContact O-CE2 3.25Å; R189-F192 WeakPolarHBondContact O-CE2 3.36Å; R189-F192 WeakPolarHBondContact O-CZ 3.19Å; F192-E196 VanDerWaalsContact CA-OE2 3.23Å; F192-E196 WeakPolarHBondContact CA-OE2 3.42Å; F192-E196 HydrophobicContact CD1-CB 4.3Å; F192-I198 HydrophobicContact CD1-CG1 4.07Å; F192-I198 HydrophobicContact CD2-CD1 4.13Å; F192-I198 HydrophobicContact CD2-CG1 3.92Å; F192-I198 HydrophobicContact CE1-CB 4.25Å; F192-I198 HydrophobicContact CE1-CG1 3.91Å; F192-I198 HydrophobicContact CE1-CG2 4.45Å; F192-I198 HydrophobicContact CE2-CB 4.42Å; F192-I198 HydrophobicContact CE2-CD1 4.08Å; F192-I198 HydrophobicContact CE2-CG1 3.77Å; F192-I198 HydrophobicContact CE2-CG2 4.12Å; F192-I198 HydrophobicContact CG-CG1 4.08Å; F192-I198 HydrophobicContact CZ-CB 4.03Å; F192-I198 HydrophobicContact CZ-CG1 3.77Å; F192-I198 HydrophobicContact CZ-CG2 3.78Å; F192-V263 HydrophobicContact CB-CG2 4.14Å; F192-V263 HydrophobicContact CG-CG2 4.39Å; F192-I302 HydrophobicContact CD2-CG2 3.88Å; F192-I302 HydrophobicContact CE2-CD1 4.38Å; F192-I302 HydrophobicContact CE2-CG2 4.46Å; F192-V303 PolarHBondContact N-O 2.89Å; F192-I304 HydrophobicContact CB-CD1 4.44Å; F192-I304 CarbonylContact O-C 3.58Å; F192-I304 WeakPolarHBondContact O-CA 3.45Å; F192-G305 PolarHBondContact O-N 3.24Å |
| 193 | V | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -107.6 | 156 | 164.4 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | L149 G195 E196 P308 Y383 | L149-V193 HydrophobicContact CD1-CG1 3.87Å; L149-V193 HydrophobicContact CG-CG1 4.18Å; V193-G195 PolarHBondContact O-N 3.15Å; V193-E196 HydrophobicContact CG2-CG 3.77Å; V193-E196 PolarHBondContact N-OE2 2.78Å; V193-E196 WeakPolarHBondContact O-CB 3.45Å; V193-E196 PolarHBondContact O-N 2.74Å; V193-P308 HydrophobicContact CG1-CB 4.27Å; V193-P308 HydrophobicContact CG2-CB 4.12Å; V193-Y383 HydrophobicContact CB-CD2 3.8Å; V193-Y383 HydrophobicContact CB-CE2 4Å; V193-Y383 HydrophobicContact CG1-CE2 4.39Å; V193-Y383 HydrophobicContact CG2-CD2 3.41Å; V193-Y383 VanDerWaalsContact CG2-CD2 3.41Å; V193-Y383 HydrophobicContact CG2-CE2 4Å; V193-Y383 HydrophobicContact CG2-CG 4Å | ||
| 194 | P | 94.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 141 | 174.4 | -26.8 | 35.6 | 0 | 0 | 0 | 112.9 | P264 I304 G305 P381 T382 Y383 | P194-P264 WeakPolarHBondContact CB-O 3.03Å; P194-I304 HydrophobicContact CG-CG2 4.39Å; P194-G305 WeakPolarHBondContact CD-O 3.32Å; P194-P381 WeakPolarHBondContact CB-O 3.3Å; P194-T382 WeakPolarHBondContact O-CA 3.19Å; P194-Y383 PolarHBondContact O-N 2.79Å |
| 195 | G | 91.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 24 Ų | 24 | 22% | 0.216 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -10.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | V193 V263 Y383 T385 | V193-G195 PolarHBondContact O-N 3.15Å; G195-V263 PolarHBondContact N-O 3.23Å; G195-Y383 CarbonylContact C-O 3.43Å; G195-Y383 VanDerWaalsContact C-O 3.29Å; G195-Y383 VanDerWaalsContact CA-O 3.28Å; G195-Y383 WeakPolarHBondContact CA-O 3.07Å; G195-T385 PolarHBondContact O-OG1 2.83Å |
| 196 | E | 91.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | trans | -82.6 | 169.5 | 170.8 | -63.7 | -173.2 | 134.7 | 0 | 0 | 112.7 | R189 F192 V193 V263 T385 | R189-E196 IonicContact CZ-OE1 3.87Å; R189-E196 IonicContact CZ-OE2 3.45Å; R189-E196 IonicContact NH2-OE1 2.79Å; R189-E196 PolarHBondContact NH2-OE1 3.43Å; R189-E196 IonicContact NH2-OE2 3.74Å; R189-E196 PolarHBondContact NH2-OE2 2.88Å; F192-E196 VanDerWaalsContact CA-OE2 3.23Å; F192-E196 WeakPolarHBondContact CA-OE2 3.42Å; F192-E196 HydrophobicContact CD1-CB 4.3Å; V193-E196 HydrophobicContact CG2-CG 3.77Å; V193-E196 PolarHBondContact N-OE2 2.78Å; V193-E196 WeakPolarHBondContact O-CB 3.45Å; V193-E196 PolarHBondContact O-N 2.74Å; E196-V263 WeakPolarHBondContact O-CB 3.42Å; E196-V263 PolarHBondContact O-N 2.81Å; E196-T385 WeakPolarHBondContact CA-OG1 3.5Å | ||
| 197 | H | 92.2 | Very high | 92.2 | Very high | 68 Ų | 68 | 26.5 Ų | 26.5 | 32% | 0.315 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.1 | 172.9 | -63.8 | -92.7 | 0 | 0 | 0 | 110.6 | P260 F261 | H197-P260 HydrophobicContact CB-CB 4.2Å; H197-F261 CarbonylContact C-O 3.56Å; H197-F261 VanDerWaalsContact CA-O 3.32Å; H197-F261 WeakPolarHBondContact CA-O 3.37Å |
| 198 | I | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121 | 165.9 | -48.3 | -179 | 0 | 0 | 0 | 107.1 | I187 F192 L200 F261 V263 L283 | I187-I198 HydrophobicContact CB-CG2 4.4Å; I187-I198 HydrophobicContact CG2-CG2 3.93Å; F192-I198 HydrophobicContact CD1-CG1 4.07Å; F192-I198 HydrophobicContact CD2-CD1 4.13Å; F192-I198 HydrophobicContact CD2-CG1 3.92Å; F192-I198 HydrophobicContact CE1-CB 4.25Å; F192-I198 HydrophobicContact CE1-CG1 3.91Å; F192-I198 HydrophobicContact CE1-CG2 4.45Å; F192-I198 HydrophobicContact CE2-CB 4.42Å; F192-I198 HydrophobicContact CE2-CD1 4.08Å; F192-I198 HydrophobicContact CE2-CG1 3.77Å; F192-I198 HydrophobicContact CE2-CG2 4.12Å; F192-I198 HydrophobicContact CG-CG1 4.08Å; F192-I198 HydrophobicContact CZ-CB 4.03Å; F192-I198 HydrophobicContact CZ-CG1 3.77Å; F192-I198 HydrophobicContact CZ-CG2 3.78Å; I198-L200 HydrophobicContact CG2-CD2 3.89Å; I198-L200 PolarHBondContact O-N 3.43Å; I198-F261 HydrophobicContact CB-CB 4.27Å; I198-F261 HydrophobicContact CD1-CD1 4.07Å; I198-F261 HydrophobicContact CG1-CD1 4.32Å; I198-F261 PolarHBondContact N-O 2.98Å; I198-F261 PolarHBondContact O-N 3.14Å; I198-V263 HydrophobicContact CD1-CG2 4.04Å; I198-V263 HydrophobicContact CG1-CG2 3.66Å; I198-L283 HydrophobicContact CG2-CD2 4.29Å |
| 199 | L | 93.5 | Very high | 91.8 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 26% | 0.262 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 104.7 | 179 | -60.2 | -176.7 | 0 | 0 | 0 | 110.1 | N201 P260 | L199-N201 PolarHBondContact O-N 2.94Å; L199-N201 PolarHBondContact O-ND2 3.19Å; L199-P260 HydrophobicContact CD2-CB 4.31Å |
| 200 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120 | -176.2 | -53.1 | 177.1 | 0 | 0 | 0 | 110.5 | L185 I187 I198 A217 V243 W256 S258 E259 F261 L283 | L185-L200 HydrophobicContact CD1-CB 4.44Å; L185-L200 HydrophobicContact CD1-CD2 4.4Å; I187-L200 HydrophobicContact CG2-CD2 4.04Å; I198-L200 HydrophobicContact CG2-CD2 3.89Å; I198-L200 PolarHBondContact O-N 3.43Å; L200-A217 HydrophobicContact CD1-CB 3.41Å; L200-A217 VanDerWaalsContact CD1-CB 3.41Å; L200-V243 HydrophobicContact CD1-CG2 3.74Å; L200-W256 HydrophobicContact CB-CE3 4.35Å; L200-W256 HydrophobicContact CD1-CE3 4.21Å; L200-W256 HydrophobicContact CD1-CZ3 4.06Å; L200-S258 PolarHBondContact O-N 3.31Å; L200-E259 HydrophobicContact CB-CB 4.31Å; L200-E259 PolarHBondContact N-O 2.78Å; L200-E259 PolarHBondContact O-N 3.43Å; L200-F261 HydrophobicContact CD1-CB 4.05Å; L200-F261 HydrophobicContact CG-CB 4.26Å; L200-L283 HydrophobicContact CD2-CD1 4.26Å; L200-L283 HydrophobicContact CD2-CD2 3.65Å |
| 201 | N | 95.3 | Very high | 92 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.6 | 170.4 | -60 | -75.9 | 0 | 0 | 0 | 108.4 | L185 N186 L199 W256 S258 | L185-N201 CarbonylContact C-O 3.57Å; N186-N201 HydrophobicContact CB-CB 4.34Å; N186-N201 PolarHBondContact N-O 2.75Å; N186-N201 WeakPolarHBondContact O-CB 3.19Å; N186-N201 PolarHBondContact O-N 3.04Å; N186-N201 VanDerWaalsContact O-O 3.09Å; L199-N201 PolarHBondContact O-N 2.94Å; L199-N201 PolarHBondContact O-ND2 3.19Å; N201-W256 WeakPolarHBondContact CA-O 3.49Å; N201-S258 PolarHBondContact OD1-N 3.49Å; N201-S258 PolarHBondContact OD1-OG 3.37Å |
| 202 | G | 93.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 160.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N184 W256 | N184-G202 CarbonylContact O-C 3.57Å; N184-G202 WeakPolarHBondContact O-CA 3.25Å; G202-W256 PolarHBondContact N-O 2.69Å; G202-W256 PolarHBondContact O-N 3.19Å |
| 203 | E | 94.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 36.9 Ų | 36.9 | 43% | 0.425 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 129.5 | 179.6 | -172.1 | -180 | 154.1 | 0 | 0 | 108.6 | M183 N184 S205 T253 Q254 | M183-E203 CarbonylContact C-O 3.58Å; M183-E203 WeakPolarHBondContact CA-O 3.45Å; N184-E203 PolarHBondContact N-O 3.27Å; N184-E203 PolarHBondContact O-N 2.92Å; E203-S205 PolarHBondContact OE1-OG 2.85Å; E203-T253 HydrophobicContact CG-CG2 3.54Å; E203-Q254 WeakPolarHBondContact CA-O 3.45Å |
| 204 | V | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.7 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | V181 T182 M183 I212 V215 T253 Q254 F285 A287 | V181-V204 HydrophobicContact CG1-CG1 4.12Å; T182-V204 WeakPolarHBondContact O-CA 3.5Å; M183-V204 HydrophobicContact CB-CG2 4.49Å; M183-V204 HydrophobicContact CG-CG2 3.94Å; M183-V204 HydrophobicContact SD-CG2 4.11Å; V204-I212 HydrophobicContact CG1-CD1 3.76Å; V204-V215 HydrophobicContact CB-CG2 4.21Å; V204-V215 HydrophobicContact CG1-CG2 4.09Å; V204-V215 HydrophobicContact CG2-CG1 3.86Å; V204-V215 HydrophobicContact CG2-CG2 4Å; V204-T253 CarbonylContact O-C 3.55Å; V204-T253 WeakPolarHBondContact O-CA 3.47Å; V204-Q254 PolarHBondContact N-O 2.85Å; V204-Q254 PolarHBondContact O-N 3.44Å; V204-F285 HydrophobicContact CG2-CE1 3.75Å; V204-F285 HydrophobicContact CG2-CZ 4.02Å; V204-A287 HydrophobicContact CG1-CB 4.3Å |
| 205 | S | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.9 | 177.1 | -50.3 | 0 | 0 | 0 | 0 | 109.8 | V181 T182 E203 E252 T253 | V181-S205 WeakPolarHBondContact CA-O 3.43Å; T182-S205 PolarHBondContact N-O 2.94Å; T182-S205 PolarHBondContact O-N 3.31Å; T182-S205 WeakPolarHBondContact OG1-CB 3.46Å; T182-S205 PolarHBondContact OG1-O 3.14Å; E203-S205 PolarHBondContact OE1-OG 2.85Å; S205-E252 WeakPolarHBondContact CA-O 3.42Å; S205-T253 WeakPolarHBondContact CB-OG1 3.4Å; S205-T253 WeakPolarHBondContact OG-CB 3.5Å; S205-T253 WeakPolarHBondContact OG-CG2 3.21Å; S205-T253 PolarHBondContact OG-OG1 2.89Å |
| 206 | N | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 99.3 | -177 | -175.8 | 13.3 | 0 | 0 | 0 | 110.8 | V181 S208 K210 I212 V248 E249 G251 E252 | V181-N206 HydrophobicContact CG2-CB 4.44Å; V181-N206 WeakPolarHBondContact CG2-OD1 3.23Å; N206-S208 WeakPolarHBondContact OD1-CB 3.43Å; N206-S208 PolarHBondContact OD1-N 2.82Å; N206-S208 PolarHBondContact OD1-OG 3.08Å; N206-K210 PolarHBondContact ND2-O 3.06Å; N206-K210 PolarHBondContact OD1-O 2.98Å; N206-I212 HydrophobicContact CB-CD1 3.78Å; N206-I212 HydrophobicContact CB-CG1 4.33Å; N206-V248 HydrophobicContact CB-CB 4.47Å; N206-V248 HydrophobicContact CB-CG1 3.94Å; N206-V248 PolarHBondContact ND2-O 3.31Å; N206-E249 WeakPolarHBondContact CB-O 3.43Å; N206-G251 PolarHBondContact O-N 3.15Å; N206-E252 PolarHBondContact N-O 2.91Å |
| 207 | Y | 90.5 | Very high | 93.3 | Very high | 112 Ų | 112 | 37.3 Ų | 37.3 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | trans | -98.7 | 11.1 | 171.1 | -51.6 | -70.9 | 0 | 0 | 0 | 112 | G179 G180 T182 F250 | G179-Y207 CarbonylContact C-O 3.5Å; G179-Y207 WeakPolarHBondContact CA-O 3.29Å; G180-Y207 CarbonylContact O-C 3.51Å; G180-Y207 WeakPolarHBondContact O-CA 3.42Å; G180-Y207 VanDerWaalsContact O-CB 3.31Å; G180-Y207 WeakPolarHBondContact O-CB 3.18Å; G180-Y207 PolarHBondContact O-N 2.69Å; T182-Y207 HydrophobicContact CG2-CD2 4.5Å; T182-Y207 HydrophobicContact CG2-CE2 4.44Å; Y207-F250 WeakPolarHBondContact O-CE2 3.27Å | ||
| 208 | S | 85.8 | Confident | 93.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -91.9 | 158.9 | -179.5 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | N206 K210 F250 | N206-S208 WeakPolarHBondContact OD1-CB 3.43Å; N206-S208 PolarHBondContact OD1-N 2.82Å; N206-S208 PolarHBondContact OD1-OG 3.08Å; S208-K210 PolarHBondContact O-N 3.09Å; S208-K210 PolarHBondContact OG-N 2.98Å; S208-K210 PolarHBondContact OG-O 2.82Å; S208-K210 VanDerWaalsContact OG-O 3.1Å; S208-F250 WeakPolarHBondContact O-CD2 3.38Å |
| 209 | D | 83.1 | Confident | 93.7 | Very high | 112 Ų | 112 | 35 Ų | 35 | 60% | 0.599 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -69.2 | -4.9 | 172 | 65.2 | -25.5 | 0 | 0 | 0 | 113.6 | ||
| 210 | K | 87.5 | Confident | 93.8 | Very high | 63 Ų | 63 | 34 Ų | 34 | 27% | 0.274 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -102.1 | 133.9 | -179.4 | -61.5 | -177.7 | -174.6 | -178.7 | 0 | 110.8 | F167 N206 S208 V289 | F167-K210 HydrophobicContact CD1-CD 4.38Å; N206-K210 PolarHBondContact ND2-O 3.06Å; N206-K210 PolarHBondContact OD1-O 2.98Å; S208-K210 PolarHBondContact O-N 3.09Å; S208-K210 PolarHBondContact OG-N 2.98Å; S208-K210 PolarHBondContact OG-O 2.82Å; S208-K210 VanDerWaalsContact OG-O 3.1Å; K210-V289 HydrophobicContact CB-CG1 3.72Å; K210-V289 HydrophobicContact CD-CG1 3.87Å; K210-V289 HydrophobicContact CG-CG1 4.4Å |
| 211 | R | 91.8 | Very high | 93.8 | Very high | 120 Ų | 120 | 34.1 Ų | 34.1 | 45% | 0.453 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 134.4 | 172.4 | -176.5 | 178.5 | -165.4 | -162 | 7.7 | 111.1 | E249 A290 | R211-E249 WeakPolarHBondContact CG-OE2 3.49Å; R211-E249 IonicContact CZ-OE1 3.12Å; R211-E249 IonicContact NE-OE1 2.68Å; R211-E249 PolarHBondContact NE-OE1 3.04Å; R211-E249 IonicContact NE-OE2 3.41Å; R211-E249 PolarHBondContact NE-OE2 2.72Å; R211-E249 IonicContact NH2-OE1 3.61Å; R211-E249 PolarHBondContact NH2-OE1 2.84Å; R211-A290 HydrophobicContact CB-CB 4.06Å; R211-A290 WeakPolarHBondContact O-CB 3.28Å; R211-A290 PolarHBondContact O-N 2.88Å |
| 212 | I | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.8 | 163.7 | -61.2 | 174.7 | 0 | 0 | 0 | 107.2 | V181 V204 N206 C214 V215 P247 V248 A287 V288 | V181-I212 HydrophobicContact CB-CD1 4.4Å; V181-I212 HydrophobicContact CG1-CD1 3.68Å; V181-I212 HydrophobicContact CG2-CD1 3.75Å; V181-I212 HydrophobicContact CG2-CG1 4.18Å; V204-I212 HydrophobicContact CG1-CD1 3.76Å; N206-I212 HydrophobicContact CB-CD1 3.78Å; N206-I212 HydrophobicContact CB-CG1 4.33Å; I212-C214 WeakPolarHBondContact CG2-O 3.23Å; I212-V215 HydrophobicContact CG2-CG2 4.05Å; I212-P247 CarbonylContact O-C 3.49Å; I212-P247 WeakPolarHBondContact O-CA 3.45Å; I212-P247 VanDerWaalsContact O-CB 3.24Å; I212-P247 WeakPolarHBondContact O-CB 3.33Å; I212-V248 HydrophobicContact CB-CB 4.05Å; I212-V248 HydrophobicContact CB-CG2 4.48Å; I212-V248 HydrophobicContact CD1-CB 4.22Å; I212-V248 HydrophobicContact CG2-CB 4.49Å; I212-V248 HydrophobicContact CG2-CG2 4.39Å; I212-V248 PolarHBondContact N-O 2.68Å; I212-V248 PolarHBondContact O-N 3.27Å; I212-A287 HydrophobicContact CD1-CB 4.13Å; I212-A287 HydrophobicContact CG2-CB 4.01Å; I212-V288 CarbonylContact C-O 3.56Å; I212-V288 WeakPolarHBondContact CA-O 3.21Å |
| 213 | T | 96.4 | Very high | 93.8 | Very high | 67 Ų | 67 | 33.5 Ų | 33.5 | 41% | 0.411 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -41.8 | -177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | P247 V288 | T213-P247 VanDerWaalsContact O-CA 3.23Å; T213-P247 WeakPolarHBondContact O-CA 3.44Å; T213-P247 WeakPolarHBondContact O-CB 3.25Å; T213-V288 PolarHBondContact N-O 3.48Å |
| 214 | C | 96.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 8% | 0.081 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 162.3 | 175.8 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | I212 E244 K245 V288 | I212-C214 WeakPolarHBondContact CG2-O 3.23Å; C214-E244 HydrophobicContact CB-CG 3.79Å; C214-E244 PolarHBondContact SG-OE2 2.78Å; C214-E244 VanDerWaalsContact SG-OE2 3.32Å; C214-K245 WeakPolarHBondContact CA-O 3.14Å; C214-K245 WeakPolarHBondContact CB-O 3.4Å; C214-V288 PolarHBondContact O-N 3.19Å |
| 215 | V | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125 | 168.3 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | V204 I212 E244 K245 V248 W256 F285 I286 A287 | V204-V215 HydrophobicContact CB-CG2 4.21Å; V204-V215 HydrophobicContact CG1-CG2 4.09Å; V204-V215 HydrophobicContact CG2-CG1 3.86Å; V204-V215 HydrophobicContact CG2-CG2 4Å; I212-V215 HydrophobicContact CG2-CG2 4.05Å; V215-E244 CarbonylContact O-C 3.5Å; V215-E244 WeakPolarHBondContact O-CA 3.32Å; V215-K245 PolarHBondContact N-O 3.1Å; V215-K245 PolarHBondContact O-N 3.1Å; V215-V248 HydrophobicContact CG2-CG2 4.07Å; V215-W256 HydrophobicContact CB-CZ2 4.11Å; V215-W256 HydrophobicContact CG1-CZ2 3.95Å; V215-W256 WeakPolarHBondContact O-CZ2 3.28Å; V215-F285 HydrophobicContact CG1-CD2 4.3Å; V215-F285 HydrophobicContact CG1-CE1 3.98Å; V215-F285 HydrophobicContact CG1-CE2 3.59Å; V215-F285 HydrophobicContact CG1-CZ 3.39Å; V215-I286 WeakPolarHBondContact CA-O 3.03Å; V215-A287 HydrophobicContact CG2-CB 4.41Å |
| 216 | Q | 97.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 36 Ų | 36 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.7 | -177.5 | 63.2 | -178.3 | -55.2 | 0 | 0 | 111.9 | F218 V243 E244 F285 I286 V288 | Q216-F218 HydrophobicContact CG-CD1 4.34Å; Q216-F218 HydrophobicContact CG-CE1 4.38Å; Q216-V243 CarbonylContact C-O 3.29Å; Q216-V243 VanDerWaalsContact CA-O 3.3Å; Q216-V243 WeakPolarHBondContact CA-O 3.37Å; Q216-E244 HydrophobicContact CB-CB 4.34Å; Q216-E244 HydrophobicContact CB-CG 4.27Å; Q216-F285 WeakPolarHBondContact O-CA 3.41Å; Q216-I286 HydrophobicContact CG-CB 4.08Å; Q216-I286 PolarHBondContact N-O 3.42Å; Q216-I286 PolarHBondContact O-N 2.53Å; Q216-V288 VanDerWaalsContact NE2-CG2 3.28Å |
| 217 | A | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L200 C242 V243 W256 K284 F285 | L200-A217 HydrophobicContact CD1-CB 3.41Å; L200-A217 VanDerWaalsContact CD1-CB 3.41Å; A217-C242 WeakPolarHBondContact O-CA 3.43Å; A217-V243 HydrophobicContact CB-CG2 3.59Å; A217-V243 PolarHBondContact N-O 3.41Å; A217-V243 PolarHBondContact O-N 2.76Å; A217-W256 HydrophobicContact CB-CZ3 4.46Å; A217-K284 CarbonylContact C-O 3.56Å; A217-K284 VanDerWaalsContact CA-O 3.23Å; A217-K284 WeakPolarHBondContact CA-O 3.33Å; A217-F285 HydrophobicContact CB-CD2 3.72Å; A217-F285 HydrophobicContact CB-CE2 4.35Å |
| 218 | F | 97.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 159.6 | 175.2 | 60.3 | -92.1 | 0 | 0 | 0 | 111.3 | Q216 Q220 K239 G241 K284 I286 | Q216-F218 HydrophobicContact CG-CD1 4.34Å; Q216-F218 HydrophobicContact CG-CE1 4.38Å; F218-Q220 HydrophobicContact CD2-CB 4.48Å; F218-Q220 HydrophobicContact CE2-CB 4.18Å; F218-K239 HydrophobicContact CB-CD 4.3Å; F218-K239 HydrophobicContact CB-CG 4.01Å; F218-K239 HydrophobicContact CD1-CD 4.07Å; F218-K239 HydrophobicContact CD2-CB 4.22Å; F218-K239 HydrophobicContact CD2-CD 3.92Å; F218-K239 HydrophobicContact CD2-CG 3.57Å; F218-K239 HydrophobicContact CE1-CD 4.32Å; F218-K239 HydrophobicContact CE2-CB 4.41Å; F218-K239 HydrophobicContact CE2-CD 4.18Å; F218-K239 HydrophobicContact CE2-CG 4.09Å; F218-K239 HydrophobicContact CG-CD 3.85Å; F218-K239 HydrophobicContact CG-CG 3.8Å; F218-K239 HydrophobicContact CZ-CD 4.37Å; F218-G241 WeakPolarHBondContact CB-O 3.01Å; F218-K284 HydrophobicContact CD1-CB 4.19Å; F218-K284 HydrophobicContact CD2-CB 3.95Å; F218-K284 HydrophobicContact CD2-CG 4.23Å; F218-K284 HydrophobicContact CE1-CB 3.85Å; F218-K284 HydrophobicContact CE2-CB 3.6Å; F218-K284 HydrophobicContact CE2-CG 3.59Å; F218-K284 HydrophobicContact CG-CB 4.25Å; F218-K284 HydrophobicContact CZ-CB 3.54Å; F218-K284 HydrophobicContact CZ-CG 3.81Å; F218-K284 PolarHBondContact N-O 2.87Å; F218-K284 PolarHBondContact O-N 2.87Å; F218-I286 HydrophobicContact CE1-CD1 3.55Å; F218-I286 HydrophobicContact CE1-CG1 4.05Å; F218-I286 HydrophobicContact CZ-CD1 3.67Å |
| 219 | L | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.9 | 173 | -164.8 | 73.3 | 0 | 0 | 0 | 109 | I240 F261 L266 Y281 L283 I302 I304 | L219-I240 HydrophobicContact CB-CB 4.22Å; L219-I240 PolarHBondContact N-O 3.35Å; L219-I240 WeakPolarHBondContact O-CA 3.33Å; L219-I240 WeakPolarHBondContact O-CB 3.5Å; L219-I240 PolarHBondContact O-N 3.1Å; L219-F261 HydrophobicContact CB-CE1 3.98Å; L219-F261 HydrophobicContact CB-CZ 4Å; L219-L266 HydrophobicContact CD2-CD1 3.6Å; L219-Y281 HydrophobicContact CD2-CD1 3.6Å; L219-Y281 HydrophobicContact CD2-CE1 4.21Å; L219-Y281 HydrophobicContact CD2-CG 4.13Å; L219-Y281 HydrophobicContact CG-CD1 3.94Å; L219-Y281 HydrophobicContact CG-CG 4.41Å; L219-L283 HydrophobicContact CD1-CB 4.49Å; L219-I302 HydrophobicContact CD1-CB 4.06Å; L219-I302 HydrophobicContact CD1-CG1 3.97Å; L219-I302 HydrophobicContact CD1-CG2 4.39Å; L219-I304 HydrophobicContact CD2-CD1 4.41Å |
| 220 | Q | 95.6 | Very high | 91.6 | Very high | 31 Ų | 31 | 43 Ų | 43 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 116.7 | 172.6 | -176.5 | -177.5 | -74.2 | 0 | 0 | 108.6 | F218 N222 L237 T238 Y281 L282 K284 | F218-Q220 HydrophobicContact CD2-CB 4.48Å; F218-Q220 HydrophobicContact CE2-CB 4.18Å; Q220-N222 WeakPolarHBondContact CG-OD1 3.33Å; Q220-N222 PolarHBondContact NE2-OD1 2.87Å; Q220-L237 HydrophobicContact CG-CD2 4.24Å; Q220-T238 WeakPolarHBondContact CA-O 3.22Å; Q220-Y281 CarbonylContact O-C 3.57Å; Q220-Y281 VanDerWaalsContact O-CA 3.31Å; Q220-Y281 WeakPolarHBondContact O-CA 3.47Å; Q220-L282 HydrophobicContact CB-CB 4.38Å; Q220-L282 PolarHBondContact N-O 2.9Å; Q220-L282 PolarHBondContact O-N 2.83Å; Q220-K284 HydrophobicContact CB-CG 3.84Å |
| 221 | Q | 95.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122 | 169.2 | -176.7 | -176.3 | 71.3 | 0 | 0 | 108.9 | L223 L237 T238 I240 V279 Y281 | Q221-L223 HydrophobicContact CG-CD2 3.84Å; Q221-L223 HydrophobicContact CG-CG 4.36Å; Q221-L237 WeakPolarHBondContact O-CA 3.37Å; Q221-T238 PolarHBondContact N-O 2.64Å; Q221-T238 PolarHBondContact O-N 2.83Å; Q221-I240 HydrophobicContact CB-CG1 4.21Å; Q221-V279 HydrophobicContact CG-CG1 3.87Å; Q221-Y281 HydrophobicContact CB-CD1 3.91Å; Q221-Y281 HydrophobicContact CB-CE1 3.69Å; Q221-Y281 HydrophobicContact CG-CD1 4.15Å; Q221-Y281 HydrophobicContact CG-CE1 3.59Å; Q221-Y281 PolarHBondContact NE2-OH 2.94Å |
| 222 | N | 94.1 | Very high | 89.2 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.9 | 172.5 | -47.3 | -38.3 | 0 | 0 | 0 | 108.9 | Q220 G236 L237 V279 S280 | Q220-N222 WeakPolarHBondContact CG-OD1 3.33Å; Q220-N222 PolarHBondContact NE2-OD1 2.87Å; N222-G236 WeakPolarHBondContact CA-O 3.43Å; N222-L237 HydrophobicContact CB-CD2 4.19Å; N222-L237 WeakPolarHBondContact OD1-CD2 3.03Å; N222-V279 WeakPolarHBondContact O-CA 3.5Å; N222-S280 WeakPolarHBondContact CB-OG 3.46Å; N222-S280 PolarHBondContact N-O 2.76Å; N222-S280 PolarHBondContact ND2-OG 2.85Å; N222-S280 PolarHBondContact O-N 3.05Å |
| 223 | L | 93 | Very high | 88 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.1 | 177.4 | -56.1 | 178 | 0 | 0 | 0 | 108.9 | F112 Q221 F225 M235 G236 Q278 V279 | F112-L223 HydrophobicContact CE2-CD2 3.68Å; F112-L223 HydrophobicContact CZ-CD1 3.97Å; F112-L223 HydrophobicContact CZ-CD2 3.59Å; F112-L223 HydrophobicContact CZ-CG 4.36Å; Q221-L223 HydrophobicContact CG-CD2 3.84Å; Q221-L223 HydrophobicContact CG-CG 4.36Å; L223-F225 HydrophobicContact CB-CD2 4.49Å; L223-F225 HydrophobicContact CB-CE2 3.63Å; L223-F225 HydrophobicContact CB-CZ 3.94Å; L223-F225 HydrophobicContact CD1-CE2 4.34Å; L223-F225 HydrophobicContact CD1-CZ 4.11Å; L223-M235 CarbonylContact O-C 3.57Å; L223-M235 WeakPolarHBondContact O-CA 3.28Å; L223-G236 PolarHBondContact N-O 3.39Å; L223-G236 PolarHBondContact O-N 3.19Å; L223-Q278 WeakPolarHBondContact CA-O 3.3Å; L223-V279 HydrophobicContact CD2-CB 4.38Å; L223-V279 HydrophobicContact CD2-CG1 4.1Å; L223-V279 HydrophobicContact CD2-CG2 3.77Å |
| 224 | N | 92.4 | Very high | 86.5 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.2 | 173.5 | -173.2 | -26.4 | 0 | 0 | 0 | 109.4 | Q233 I277 Q278 | N224-Q233 PolarHBondContact ND2-OE1 3.3Å; N224-I277 WeakPolarHBondContact O-CA 3.45Å; N224-Q278 HydrophobicContact CB-CB 4.32Å; N224-Q278 PolarHBondContact N-O 2.7Å; N224-Q278 PolarHBondContact O-N 3.15Å |
| 225 | F | 91.4 | Very high | 85.6 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126 | 178.5 | -57.2 | -88.8 | 0 | 0 | 0 | 110.2 | V51 I53 F112 S114 Y116 L223 C234 L276 I277 | V51-F225 HydrophobicContact CG1-CB 3.94Å; V51-F225 HydrophobicContact CG2-CB 4.39Å; V51-F225 HydrophobicContact CG2-CD1 4.39Å; I53-F225 HydrophobicContact CD1-CB 3.44Å; I53-F225 VanDerWaalsContact CD1-CB 3.44Å; I53-F225 HydrophobicContact CD1-CD1 4.47Å; I53-F225 HydrophobicContact CD1-CD2 3.89Å; I53-F225 HydrophobicContact CD1-CG 3.7Å; F112-F225 HydrophobicContact CE1-CE1 4.2Å; F112-F225 HydrophobicContact CE1-CZ 4.38Å; S114-F225 WeakPolarHBondContact OG-CE1 3.31Å; S114-F225 WeakPolarHBondContact OG-CZ 3.4Å; Y116-F225 HydrophobicContact CD2-CE2 4.37Å; Y116-F225 HydrophobicContact CG-CE2 4.38Å; L223-F225 HydrophobicContact CB-CD2 4.49Å; L223-F225 HydrophobicContact CB-CE2 3.63Å; L223-F225 HydrophobicContact CB-CZ 3.94Å; L223-F225 HydrophobicContact CD1-CE2 4.34Å; L223-F225 HydrophobicContact CD1-CZ 4.11Å; F225-C234 PolarHBondContact N-O 2.79Å; F225-C234 VanDerWaalsContact N-O 3.1Å; F225-L276 WeakPolarHBondContact CA-O 3.31Å; F225-I277 HydrophobicContact CD1-CD1 4.35Å; F225-I277 HydrophobicContact CD1-CG1 3.98Å; F225-I277 HydrophobicContact CD1-CG2 4.21Å; F225-I277 HydrophobicContact CE1-CD1 4.26Å; F225-I277 HydrophobicContact CE1-CG1 4.27Å; F225-I277 HydrophobicContact CE1-CG2 3.96Å |
| 226 | R | 89.8 | Confident | 84.7 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | trans | -106.5 | 132.8 | -179.3 | -58.2 | -175.1 | -174.4 | -165.4 | 5.7 | 110.2 | L276 | R226-L276 PolarHBondContact N-O 2.83Š| ||
| 227 | S | 86.7 | Confident | 84.1 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | trans | -148.9 | 131.9 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | S64 K229 V230 | S64-S227 WeakPolarHBondContact CB-OG 3.26Å; S64-S227 WeakPolarHBondContact OG-CB 3.12Å; S64-S227 PolarHBondContact OG-OG 3.19Å; S227-K229 PolarHBondContact O-N 2.95Å; S227-K229 PolarHBondContact OG-N 2.88Å; S227-V230 PolarHBondContact O-N 3.48Å | ||
| 228 | K | 81.8 | Confident | 83.7 | Confident | 186 Ų | 186 | 65.8 Ų | 65.8 | 81% | 0.809 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.7 | 178.1 | -65.8 | 172.9 | -176.4 | 162.7 | 0 | 111.5 | E65 V230 | E65-K228 PolarHBondContact OE2-N 2.88Å; K228-V230 VanDerWaalsContact C-N 3.35Å |
| 229 | K | 78.7 | Confident | 83.5 | Confident | 143 Ų | 143 | 69.6 Ų | 69.6 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.7 | -179.4 | -57.7 | -175.3 | -170.3 | 151.1 | 0 | 113.3 | S64 S227 | S64-K229 WeakPolarHBondContact O-CD 3.38Å; S64-K229 WeakPolarHBondContact O-CE 3.44Å; S64-K229 PolarHBondContact O-NZ 2.9Å; S227-K229 PolarHBondContact O-N 2.95Å; S227-K229 PolarHBondContact OG-N 2.88Å |
| 230 | V | 71.8 | Confident | 83.3 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | trans | -118.5 | 129.9 | -178.7 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | S227 K228 K232 | S227-V230 PolarHBondContact O-N 3.48Å; K228-V230 VanDerWaalsContact C-N 3.35Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 VanDerWaalsContact CG1-O 3.28Å; V230-K232 WeakPolarHBondContact CG1-O 3.43Å; V230-K232 PolarHBondContact O-N 3.08Å | ||
| 231 | V | 61.7 | Low | 83.2 | Confident | 148 Ų | 148 | 70.4 Ų | 70.4 | 90% | 0.897 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.3 | -31.1 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 112 | ||
| 232 | K | 67.1 | Low | 83.2 | Confident | 166 Ų | 166 | 73.2 Ų | 73.2 | 72% | 0.722 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -114.4 | 131.1 | -176 | -168.2 | 179.5 | 177 | -176.6 | 0 | 109.8 | V230 C234 | V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 VanDerWaalsContact CG1-O 3.28Å; V230-K232 WeakPolarHBondContact CG1-O 3.43Å; V230-K232 PolarHBondContact O-N 3.08Å; K232-C234 PolarHBondContact O-N 2.94Å |
| 233 | Q | 69.6 | Low | 83.3 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | trans | -60.7 | 131.5 | 167.6 | -74.3 | 179.7 | -11.1 | 0 | 0 | 109.4 | N224 | N224-Q233 PolarHBondContact ND2-OE1 3.3Š| ||
| 234 | C | 64.9 | Low | 83.5 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 22% | 0.223 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.8 | 175.2 | -76.3 | 0 | 0 | 0 | 0 | 109.4 | I53 F225 K232 | I53-C234 HydrophobicContact CD1-CB 3.38Å; I53-C234 HydrophobicContact CG2-CB 4.42Å; I53-C234 VanDerWaalsContact CG2-SG 3.57Å; F225-C234 PolarHBondContact N-O 2.79Å; F225-C234 VanDerWaalsContact N-O 3.1Å; K232-C234 PolarHBondContact O-N 2.94Å |
| 235 | M | 77.9 | Confident | 83.7 | Confident | 151 Ų | 151 | 79.5 Ų | 79.5 | 74% | 0.744 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.6 | 179.2 | -67 | -172.6 | -67.1 | 0 | 0 | 109.9 | L223 | L223-M235 CarbonylContact O-C 3.57Å; L223-M235 WeakPolarHBondContact O-CA 3.28Å |
| 236 | G | 79.2 | Confident | 83.9 | Confident | 15 Ų | 15 | 81.2 Ų | 81.2 | 16% | 0.155 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N222 L223 | N222-G236 WeakPolarHBondContact CA-O 3.43Å; L223-G236 PolarHBondContact N-O 3.39Å; L223-G236 PolarHBondContact O-N 3.19Å |
| 237 | L | 84.7 | Confident | 84.2 | Confident | 116 Ų | 116 | 78.6 Ų | 78.6 | 61% | 0.607 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.6 | 173.3 | -61.6 | -178 | 0 | 0 | 0 | 109.1 | Q220 Q221 N222 | Q220-L237 HydrophobicContact CG-CD2 4.24Å; Q221-L237 WeakPolarHBondContact O-CA 3.37Å; N222-L237 HydrophobicContact CB-CD2 4.19Å; N222-L237 WeakPolarHBondContact OD1-CD2 3.03Å |
| 238 | T | 88.7 | Confident | 84.7 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 26% | 0.258 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.1 | 176.2 | -51.8 | 0 | 0 | 0 | 0 | 109.4 | Q220 Q221 I240 | Q220-T238 WeakPolarHBondContact CA-O 3.22Å; Q221-T238 PolarHBondContact N-O 2.64Å; Q221-T238 PolarHBondContact O-N 2.83Å; T238-I240 HydrophobicContact CG2-CD1 3.75Å |
| 239 | K | 92.3 | Very high | 85.2 | Confident | 100 Ų | 100 | 72 Ų | 72 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 119.8 | 171.6 | 175.1 | 169.5 | 176.9 | -175.4 | 0 | 109 | F218 C242 | F218-K239 HydrophobicContact CB-CD 4.3Å; F218-K239 HydrophobicContact CB-CG 4.01Å; F218-K239 HydrophobicContact CD1-CD 4.07Å; F218-K239 HydrophobicContact CD2-CB 4.22Å; F218-K239 HydrophobicContact CD2-CD 3.92Å; F218-K239 HydrophobicContact CD2-CG 3.57Å; F218-K239 HydrophobicContact CE1-CD 4.32Å; F218-K239 HydrophobicContact CE2-CB 4.41Å; F218-K239 HydrophobicContact CE2-CD 4.18Å; F218-K239 HydrophobicContact CE2-CG 4.09Å; F218-K239 HydrophobicContact CG-CD 3.85Å; F218-K239 HydrophobicContact CG-CG 3.8Å; F218-K239 HydrophobicContact CZ-CD 4.37Å; K239-C242 PolarHBondContact NZ-SG 2.93Å |
| 240 | I | 93.7 | Very high | 85.8 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.5 | 179.8 | -54.3 | -61.4 | 0 | 0 | 0 | 108.6 | L219 Q221 T238 F261 P264 L266 | L219-I240 HydrophobicContact CB-CB 4.22Å; L219-I240 PolarHBondContact N-O 3.35Å; L219-I240 WeakPolarHBondContact O-CA 3.33Å; L219-I240 WeakPolarHBondContact O-CB 3.5Å; L219-I240 PolarHBondContact O-N 3.1Å; Q221-I240 HydrophobicContact CB-CG1 4.21Å; T238-I240 HydrophobicContact CG2-CD1 3.75Å; I240-F261 WeakPolarHBondContact O-CZ 3.4Å; I240-P264 HydrophobicContact CG2-CG 3.6Å; I240-L266 HydrophobicContact CD1-CD2 4.28Å; I240-L266 HydrophobicContact CG1-CD2 4.22Å; I240-L266 HydrophobicContact CG2-CD1 4.25Å; I240-L266 HydrophobicContact CG2-CD2 4.05Å |
| 241 | G | 93.4 | Very high | 86.7 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F218 | F218-G241 WeakPolarHBondContact CB-O 3.01Å |
| 242 | C | 95.2 | Very high | 88.3 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 42% | 0.419 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 128.6 | 170.6 | -164.9 | 0 | 0 | 0 | 0 | 108.8 | A217 K239 | A217-C242 WeakPolarHBondContact O-CA 3.43Å; K239-C242 PolarHBondContact NZ-SG 2.93Å |
| 243 | V | 95.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.9 | 162.3 | -66.8 | 0 | 0 | 0 | 0 | 107.4 | L200 Q216 A217 W256 F261 | L200-V243 HydrophobicContact CD1-CG2 3.74Å; Q216-V243 CarbonylContact C-O 3.29Å; Q216-V243 VanDerWaalsContact CA-O 3.3Å; Q216-V243 WeakPolarHBondContact CA-O 3.37Å; A217-V243 HydrophobicContact CB-CG2 3.59Å; A217-V243 PolarHBondContact N-O 3.41Å; A217-V243 PolarHBondContact O-N 2.76Å; V243-W256 HydrophobicContact CB-CZ3 4.31Å; V243-W256 HydrophobicContact CG2-CH2 4.07Å; V243-W256 HydrophobicContact CG2-CZ3 3.66Å; V243-F261 HydrophobicContact CB-CD2 4.47Å; V243-F261 HydrophobicContact CG1-CD2 3.96Å; V243-F261 HydrophobicContact CG2-CD2 3.84Å |
| 244 | E | 96.8 | Very high | 90.9 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.3 | -173.7 | -174.7 | 174.3 | 105 | 0 | 0 | 110 | C214 V215 Q216 | C214-E244 HydrophobicContact CB-CG 3.79Å; C214-E244 PolarHBondContact SG-OE2 2.78Å; C214-E244 VanDerWaalsContact SG-OE2 3.32Å; V215-E244 CarbonylContact O-C 3.5Å; V215-E244 WeakPolarHBondContact O-CA 3.32Å; Q216-E244 HydrophobicContact CB-CB 4.34Å; Q216-E244 HydrophobicContact CB-CG 4.27Å |
| 245 | K | 97.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 156.1 | 165.5 | -70.1 | -166 | -173.4 | -163.6 | 0 | 109.5 | C214 V215 Q254 I255 W256 E259 | C214-K245 WeakPolarHBondContact CA-O 3.14Å; C214-K245 WeakPolarHBondContact CB-O 3.4Å; V215-K245 PolarHBondContact N-O 3.1Å; V215-K245 PolarHBondContact O-N 3.1Å; K245-Q254 VanDerWaalsContact CB-OE1 3.26Å; K245-Q254 HydrophobicContact CD-CG 4.25Å; K245-I255 PolarHBondContact NZ-O 2.84Å; K245-W256 HydrophobicContact CB-CH2 4.45Å; K245-W256 HydrophobicContact CB-CZ2 3.68Å; K245-W256 HydrophobicContact CD-CD2 4.01Å; K245-W256 HydrophobicContact CD-CG 4.26Å; K245-W256 HydrophobicContact CD-CZ2 4Å; K245-W256 HydrophobicContact CG-CD2 4.36Å; K245-W256 HydrophobicContact CG-CH2 3.98Å; K245-W256 HydrophobicContact CG-CZ2 3.51Å; K245-E259 VanDerWaalsContact CE-OE1 3.28Å; K245-E259 WeakPolarHBondContact CE-OE1 3.45Å; K245-E259 IonicContact NZ-OE1 2.79Å; K245-E259 PolarHBondContact NZ-OE1 3.46Å |
| 246 | G | 95.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | trans | -63.4 | -170.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q254 | G246-Q254 PolarHBondContact O-NE2 3.32Š| ||
| 247 | P | 96.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | trans | -65 | 161.8 | -174.5 | 27.3 | -35.1 | 0 | 0 | 0 | 112.9 | I212 T213 | I212-P247 CarbonylContact O-C 3.49Å; I212-P247 WeakPolarHBondContact O-CA 3.45Å; I212-P247 VanDerWaalsContact O-CB 3.24Å; I212-P247 WeakPolarHBondContact O-CB 3.33Å; T213-P247 VanDerWaalsContact O-CA 3.23Å; T213-P247 WeakPolarHBondContact O-CA 3.44Å; T213-P247 WeakPolarHBondContact O-CB 3.25Å | ||
| 248 | V | 95.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -130.1 | 109.7 | 172.5 | -168 | 0 | 0 | 0 | 0 | 107.8 | N206 I212 V215 E252 Q254 | N206-V248 HydrophobicContact CB-CB 4.47Å; N206-V248 HydrophobicContact CB-CG1 3.94Å; N206-V248 PolarHBondContact ND2-O 3.31Å; I212-V248 HydrophobicContact CB-CB 4.05Å; I212-V248 HydrophobicContact CB-CG2 4.48Å; I212-V248 HydrophobicContact CD1-CB 4.22Å; I212-V248 HydrophobicContact CG2-CB 4.49Å; I212-V248 HydrophobicContact CG2-CG2 4.39Å; I212-V248 PolarHBondContact N-O 2.68Å; I212-V248 PolarHBondContact O-N 3.27Å; V215-V248 HydrophobicContact CG2-CG2 4.07Å; V248-E252 HydrophobicContact CG1-CB 3.82Å; V248-E252 WeakPolarHBondContact CG1-O 3.21Å; V248-Q254 HydrophobicContact CG1-CB 4.47Å; V248-Q254 HydrophobicContact CG2-CB 3.62Å; V248-Q254 HydrophobicContact CG2-CG 4.38Å |
| 249 | E | 93.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | trans | -77.3 | 171.3 | 179.6 | -54 | -57.9 | 156.5 | 0 | 0 | 111.4 | N206 R211 G251 E252 | N206-E249 WeakPolarHBondContact CB-O 3.43Å; R211-E249 WeakPolarHBondContact CG-OE2 3.49Å; R211-E249 IonicContact CZ-OE1 3.12Å; R211-E249 IonicContact NE-OE1 2.68Å; R211-E249 PolarHBondContact NE-OE1 3.04Å; R211-E249 IonicContact NE-OE2 3.41Å; R211-E249 PolarHBondContact NE-OE2 2.72Å; R211-E249 IonicContact NH2-OE1 3.61Å; R211-E249 PolarHBondContact NH2-OE1 2.84Å; E249-G251 PolarHBondContact O-N 2.7Å; E249-E252 HydrophobicContact CB-CG 4.11Å; E249-E252 WeakPolarHBondContact CB-OE2 3.2Å; E249-E252 PolarHBondContact N-OE2 3.37Å; E249-E252 WeakPolarHBondContact O-CB 3.26Å; E249-E252 PolarHBondContact O-N 3.43Å; E249-E252 VanDerWaalsContact O-N 3.13Å | ||
| 250 | F | 90.6 | Very high | 95 | Very high | 144 Ų | 144 | 61.6 Ų | 61.6 | 63% | 0.632 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 132.8 | 176 | 169.8 | -102.5 | 0 | 0 | 0 | 111.4 | Y207 S208 E252 | Y207-F250 WeakPolarHBondContact O-CE2 3.27Å; S208-F250 WeakPolarHBondContact O-CD2 3.38Å; F250-E252 PolarHBondContact O-N 3.42Å |
| 251 | G | 90.3 | Very high | 95 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -5 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | N206 E249 | N206-G251 PolarHBondContact O-N 3.15Å; E249-G251 PolarHBondContact O-N 2.7Å |
| 252 | E | 94.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | trans | -90.3 | 152.6 | 179.7 | -62.6 | -174.3 | 155.3 | 0 | 0 | 112.5 | S205 N206 V248 E249 F250 | S205-E252 WeakPolarHBondContact CA-O 3.42Å; N206-E252 PolarHBondContact N-O 2.91Å; V248-E252 HydrophobicContact CG1-CB 3.82Å; V248-E252 WeakPolarHBondContact CG1-O 3.21Å; E249-E252 HydrophobicContact CB-CG 4.11Å; E249-E252 WeakPolarHBondContact CB-OE2 3.2Å; E249-E252 PolarHBondContact N-OE2 3.37Å; E249-E252 WeakPolarHBondContact O-CB 3.26Å; E249-E252 PolarHBondContact O-N 3.43Å; E249-E252 VanDerWaalsContact O-N 3.13Å; F250-E252 PolarHBondContact O-N 3.42Å | ||
| 253 | T | 95.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 60 Ų | 60 | 37% | 0.368 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.4 | 172.9 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | E203 V204 S205 I255 | E203-T253 HydrophobicContact CG-CG2 3.54Å; V204-T253 CarbonylContact O-C 3.55Å; V204-T253 WeakPolarHBondContact O-CA 3.47Å; S205-T253 WeakPolarHBondContact CB-OG1 3.4Å; S205-T253 WeakPolarHBondContact OG-CB 3.5Å; S205-T253 WeakPolarHBondContact OG-CG2 3.21Å; S205-T253 PolarHBondContact OG-OG1 2.89Å; T253-I255 HydrophobicContact CG2-CG1 4.12Å |
| 254 | Q | 97 | Very high | 95 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128 | 173.5 | -172.7 | -176 | 90.2 | 0 | 0 | 110.4 | E203 V204 K245 G246 V248 | E203-Q254 WeakPolarHBondContact CA-O 3.45Å; V204-Q254 PolarHBondContact N-O 2.85Å; V204-Q254 PolarHBondContact O-N 3.44Å; K245-Q254 VanDerWaalsContact CB-OE1 3.26Å; K245-Q254 HydrophobicContact CD-CG 4.25Å; G246-Q254 PolarHBondContact O-NE2 3.32Å; V248-Q254 HydrophobicContact CG1-CB 4.47Å; V248-Q254 HydrophobicContact CG2-CB 3.62Å; V248-Q254 HydrophobicContact CG2-CG 4.38Å |
| 255 | I | 96.5 | Very high | 94.9 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.3 | -177.3 | -51.2 | 176.9 | 0 | 0 | 0 | 110.2 | K245 T253 R257 | K245-I255 PolarHBondContact NZ-O 2.84Å; T253-I255 HydrophobicContact CG2-CG1 4.12Å; I255-R257 HydrophobicContact CG2-CG 3.71Å |
| 256 | W | 96.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 52 Ų | 52 | 2% | 0.023 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.3 | 172.2 | -67.7 | 60.5 | 0 | 0 | 0 | 107.6 | L200 N201 G202 V215 A217 V243 K245 E259 F285 | L200-W256 HydrophobicContact CB-CE3 4.35Å; L200-W256 HydrophobicContact CD1-CE3 4.21Å; L200-W256 HydrophobicContact CD1-CZ3 4.06Å; N201-W256 WeakPolarHBondContact CA-O 3.49Å; G202-W256 PolarHBondContact N-O 2.69Å; G202-W256 PolarHBondContact O-N 3.19Å; V215-W256 HydrophobicContact CB-CZ2 4.11Å; V215-W256 HydrophobicContact CG1-CZ2 3.95Å; V215-W256 WeakPolarHBondContact O-CZ2 3.28Å; A217-W256 HydrophobicContact CB-CZ3 4.46Å; V243-W256 HydrophobicContact CB-CZ3 4.31Å; V243-W256 HydrophobicContact CG2-CH2 4.07Å; V243-W256 HydrophobicContact CG2-CZ3 3.66Å; K245-W256 HydrophobicContact CB-CH2 4.45Å; K245-W256 HydrophobicContact CB-CZ2 3.68Å; K245-W256 HydrophobicContact CD-CD2 4.01Å; K245-W256 HydrophobicContact CD-CG 4.26Å; K245-W256 HydrophobicContact CD-CZ2 4Å; K245-W256 HydrophobicContact CG-CD2 4.36Å; K245-W256 HydrophobicContact CG-CH2 3.98Å; K245-W256 HydrophobicContact CG-CZ2 3.51Å; W256-E259 HydrophobicContact CB-CG 3.96Å; W256-E259 HydrophobicContact CD2-CG 4.22Å; W256-E259 HydrophobicContact CE3-CB 3.78Å; W256-E259 HydrophobicContact CE3-CG 3.69Å; W256-E259 HydrophobicContact CG-CG 4.38Å; W256-E259 HydrophobicContact CZ3-CB 4.33Å; W256-E259 HydrophobicContact CZ3-CG 4.49Å; W256-F285 AromaticContact CD2-CE2 3.91Å; W256-F285 HydrophobicContact CD2-CE2 3.91Å; W256-F285 HydrophobicContact CD2-CZ 4.16Å; W256-F285 AromaticContact CE2-CE2 3.73Å; W256-F285 AromaticContact CE2-CZ 3.94Å; W256-F285 HydrophobicContact CE3-CE2 4.21Å; W256-F285 HydrophobicContact CG-CE2 4.44Å; W256-F285 HydrophobicContact CG-CZ 4.26Å; W256-F285 HydrophobicContact CH2-CE2 4.25Å; W256-F285 AromaticContact CZ2-CE2 3.92Å; W256-F285 HydrophobicContact CZ2-CE2 3.92Å; W256-F285 HydrophobicContact CZ2-CZ 4.47Å; W256-F285 HydrophobicContact CZ3-CE2 4.39Å; W256-F285 AromaticContact NE1-CZ 3.86Å |
| 257 | R | 95.3 | Very high | 94.8 | Very high | 180 Ų | 180 | 50.1 Ų | 50.1 | 68% | 0.679 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 101.1 | -176.5 | -64.3 | -171.5 | -178 | -84.7 | -0.9 | 109.7 | I255 E259 | I255-R257 HydrophobicContact CG2-CG 3.71Å; R257-E259 PolarHBondContact O-N 2.89Å |
| 258 | S | 94.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 41 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | L200 N201 P260 | L200-S258 PolarHBondContact O-N 3.31Å; N201-S258 PolarHBondContact OD1-N 3.49Å; N201-S258 PolarHBondContact OD1-OG 3.37Å; S258-P260 WeakPolarHBondContact O-CD 3.48Å |
| 259 | E | 95.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 119.8 | 179.8 | -60.9 | -66.9 | 167.5 | 0 | 0 | 108.7 | L200 K245 W256 R257 F261 | L200-E259 HydrophobicContact CB-CB 4.31Å; L200-E259 PolarHBondContact N-O 2.78Å; L200-E259 PolarHBondContact O-N 3.43Å; K245-E259 VanDerWaalsContact CE-OE1 3.28Å; K245-E259 WeakPolarHBondContact CE-OE1 3.45Å; K245-E259 IonicContact NZ-OE1 2.79Å; K245-E259 PolarHBondContact NZ-OE1 3.46Å; W256-E259 HydrophobicContact CB-CG 3.96Å; W256-E259 HydrophobicContact CD2-CG 4.22Å; W256-E259 HydrophobicContact CE3-CB 3.78Å; W256-E259 HydrophobicContact CE3-CG 3.69Å; W256-E259 HydrophobicContact CG-CG 4.38Å; W256-E259 HydrophobicContact CZ3-CB 4.33Å; W256-E259 HydrophobicContact CZ3-CG 4.49Å; R257-E259 PolarHBondContact O-N 2.89Å; E259-F261 PolarHBondContact O-N 2.91Å |
| 260 | P | 94.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 47 Ų | 47 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.4 | -173.9 | 29.9 | -33.5 | 0 | 0 | 0 | 111 | H197 L199 S258 | H197-P260 HydrophobicContact CB-CB 4.2Å; L199-P260 HydrophobicContact CD2-CB 4.31Å; S258-P260 WeakPolarHBondContact O-CD 3.48Å |
| 261 | F | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 112.4 | 168 | 178.5 | -88.6 | 0 | 0 | 0 | 109.7 | H197 I198 L200 L219 I240 V243 E259 | H197-F261 CarbonylContact C-O 3.56Å; H197-F261 VanDerWaalsContact CA-O 3.32Å; H197-F261 WeakPolarHBondContact CA-O 3.37Å; I198-F261 HydrophobicContact CB-CB 4.27Å; I198-F261 HydrophobicContact CD1-CD1 4.07Å; I198-F261 HydrophobicContact CG1-CD1 4.32Å; I198-F261 PolarHBondContact N-O 2.98Å; I198-F261 PolarHBondContact O-N 3.14Å; L200-F261 HydrophobicContact CD1-CB 4.05Å; L200-F261 HydrophobicContact CG-CB 4.26Å; L219-F261 HydrophobicContact CB-CE1 3.98Å; L219-F261 HydrophobicContact CB-CZ 4Å; I240-F261 WeakPolarHBondContact O-CZ 3.4Å; V243-F261 HydrophobicContact CB-CD2 4.47Å; V243-F261 HydrophobicContact CG1-CD2 3.96Å; V243-F261 HydrophobicContact CG2-CD2 3.84Å; E259-F261 PolarHBondContact O-N 2.91Å |
| 262 | P | 94.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 134.9 | -178 | 28.5 | -33.6 | 0 | 0 | 0 | 111.6 | P264 | P262-P264 WeakPolarHBondContact O-CD 3.34Å |
| 263 | V | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | trans | -93.2 | 106.8 | 172 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | F192 G195 E196 I198 L266 I304 | F192-V263 HydrophobicContact CB-CG2 4.14Å; F192-V263 HydrophobicContact CG-CG2 4.39Å; G195-V263 PolarHBondContact N-O 3.23Å; E196-V263 WeakPolarHBondContact O-CB 3.42Å; E196-V263 PolarHBondContact O-N 2.81Å; I198-V263 HydrophobicContact CD1-CG2 4.04Å; I198-V263 HydrophobicContact CG1-CG2 3.66Å; V263-L266 HydrophobicContact CG1-CD1 4.38Å; V263-I304 HydrophobicContact CG1-CD1 3.77Å | ||
| 264 | P | 94.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | trans | -75.3 | 176.1 | 179.5 | 31.4 | -34 | 0 | 0 | 0 | 112 | P194 I240 P262 L266 V355 | P194-P264 WeakPolarHBondContact CB-O 3.03Å; I240-P264 HydrophobicContact CG2-CG 3.6Å; P262-P264 WeakPolarHBondContact O-CD 3.34Å; P264-L266 HydrophobicContact CG-CD1 4.16Å; P264-L266 HydrophobicContact CG-CD2 4.36Å; P264-L266 HydrophobicContact CG-CG 4.06Å; P264-L266 WeakPolarHBondContact O-CG 3.34Å; P264-L266 PolarHBondContact O-N 2.91Å; P264-V355 HydrophobicContact CB-CB 3.87Å; P264-V355 HydrophobicContact CB-CG1 4.44Å; P264-V355 HydrophobicContact CB-CG2 3.61Å; P264-V355 HydrophobicContact CG-CB 4Å; P264-V355 HydrophobicContact CG-CG1 4.29Å; P264-V355 HydrophobicContact CG-CG2 4.29Å | ||
| 265 | A | 94.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -56.2 | 119.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S352 C354 V355 | A265-S352 WeakPolarHBondContact CB-O 3.24Å; A265-S352 WeakPolarHBondContact CB-OG 3.15Å; A265-C354 CarbonylContact O-C 3.57Å; A265-C354 WeakPolarHBondContact O-CA 3.41Å; A265-V355 PolarHBondContact O-N 2.9Å |
| 266 | L | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -145.1 | 150.3 | -173.4 | -72.1 | 174.8 | 0 | 0 | 0 | 109.7 | L219 I240 V263 P264 Y281 I304 | L219-L266 HydrophobicContact CD2-CD1 3.6Å; I240-L266 HydrophobicContact CD1-CD2 4.28Å; I240-L266 HydrophobicContact CG1-CD2 4.22Å; I240-L266 HydrophobicContact CG2-CD1 4.25Å; I240-L266 HydrophobicContact CG2-CD2 4.05Å; V263-L266 HydrophobicContact CG1-CD1 4.38Å; P264-L266 HydrophobicContact CG-CD1 4.16Å; P264-L266 HydrophobicContact CG-CD2 4.36Å; P264-L266 HydrophobicContact CG-CG 4.06Å; P264-L266 WeakPolarHBondContact O-CG 3.34Å; P264-L266 PolarHBondContact O-N 2.91Å; L266-Y281 HydrophobicContact CD1-CE1 4.04Å; L266-Y281 HydrophobicContact CD2-CE1 4.45Å; L266-I304 HydrophobicContact CB-CG2 4.25Å | ||
| 267 | P | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 146.3 | 171.5 | 22.7 | -31.2 | 0 | 0 | 0 | 110.7 | F112 L271 V279 Y281 C354 M357 Y380 | F112-P267 HydrophobicContact CD2-CB 4.28Å; F112-P267 HydrophobicContact CD2-CG 4.19Å; F112-P267 HydrophobicContact CE2-CG 4.34Å; P267-L271 HydrophobicContact CB-CD2 3.94Å; P267-V279 HydrophobicContact CG-CG1 4.14Å; P267-V279 HydrophobicContact CG-CG2 4.42Å; P267-Y281 WeakPolarHBondContact CD-OH 3.11Å; P267-Y281 WeakPolarHBondContact CG-OH 3.06Å; P267-Y281 WeakPolarHBondContact O-CE2 3.03Å; P267-Y281 PolarHBondContact O-OH 2.78Å; P267-C354 WeakPolarHBondContact CD-SG 3.37Å; P267-M357 HydrophobicContact CB-CE 4.13Å; P267-M357 HydrophobicContact CG-CE 3.49Å; P267-M357 VanDerWaalsContact CG-CE 3.49Å; P267-Y380 WeakPolarHBondContact CA-OH 3.41Å; P267-Y380 HydrophobicContact CB-CE1 4.46Å; P267-Y380 HydrophobicContact CB-CE2 4.19Å; P267-Y380 VanDerWaalsContact CB-OH 3.25Å; P267-Y380 WeakPolarHBondContact CB-OH 3.46Å |
| 268 | P | 95.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 152.4 | 172.7 | 24.9 | -31 | 0 | 0 | 0 | 111.9 | S110 L147 L271 I304 T306 | S110-P268 WeakPolarHBondContact OG-CD 3.35Å; S110-P268 WeakPolarHBondContact OG-CG 3.49Å; L147-P268 HydrophobicContact CB-CB 4.12Å; L147-P268 HydrophobicContact CD2-CB 3.96Å; P268-L271 PolarHBondContact O-N 3.09Å; P268-I304 CarbonylContact C-O 3.51Å; P268-I304 WeakPolarHBondContact CA-O 3.37Å; P268-T306 HydrophobicContact CB-CG2 3.82Å; P268-T306 HydrophobicContact CG-CG2 3.77Å |
| 269 | T | 94.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -57 | 142.3 | 174.4 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | L271 V303 I304 | T269-L271 PolarHBondContact O-N 3.42Å; T269-L271 VanDerWaalsContact O-N 3.08Å; T269-V303 WeakPolarHBondContact OG1-CA 3.28Å; T269-I304 PolarHBondContact N-O 2.81Å; T269-I304 PolarHBondContact OG1-N 3.1Å |
| 270 | D | 91.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 27.8 Ų | 27.8 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | 66.2 | -14 | -179.3 | -62 | -42.1 | 0 | 0 | 0 | 117.2 | R152 A272 Q278 V279 | R152-D270 IonicContact CZ-OD2 3.23Å; R152-D270 IonicContact NH1-OD2 2.7Å; R152-D270 PolarHBondContact NH1-OD2 3.45Å; R152-D270 IonicContact NH2-OD2 3.52Å; R152-D270 PolarHBondContact NH2-OD2 3.27Å; D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 PolarHBondContact O-N 3.1Å; D270-Q278 PolarHBondContact OD1-NE2 3Å; D270-V279 PolarHBondContact N-O 2.81Å |
| 271 | L | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | 45.2 | 56.7 | -171 | -65.5 | 178.3 | 0 | 0 | 0 | 111.5 | F112 P267 P268 T269 G273 C274 I277 V279 | F112-L271 HydrophobicContact CB-CD1 3.88Å; F112-L271 HydrophobicContact CD2-CD1 3.71Å; F112-L271 HydrophobicContact CE2-CD1 4.47Å; F112-L271 HydrophobicContact CG-CD1 3.81Å; P267-L271 HydrophobicContact CB-CD2 3.94Å; P268-L271 PolarHBondContact O-N 3.09Å; T269-L271 PolarHBondContact O-N 3.42Å; T269-L271 VanDerWaalsContact O-N 3.08Å; L271-G273 PolarHBondContact O-N 2.91Å; L271-C274 HydrophobicContact CB-CB 4.17Å; L271-C274 VanDerWaalsContact O-CB 3.3Å; L271-C274 WeakPolarHBondContact O-CB 3.45Å; L271-C274 PolarHBondContact O-N 2.76Å; L271-I277 HydrophobicContact CD1-CB 4.29Å; L271-I277 HydrophobicContact CD1-CG2 3.94Å; L271-V279 HydrophobicContact CD1-CG2 3.65Å; L271-V279 HydrophobicContact CG-CB 4.42Å; L271-V279 HydrophobicContact CG-CG2 3.75Å |
| 272 | A | 91.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 26.5 Ų | 26.5 | 48% | 0.479 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 130.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P109 D270 | P109-A272 VanDerWaalsContact CA-O 3.26Å; P109-A272 WeakPolarHBondContact CA-O 3.34Å; D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 PolarHBondContact O-N 3.1Å |
| 273 | G | 92.4 | Very high | 94.5 | Very high | 39 Ų | 39 | 23.1 Ų | 23.1 | 40% | 0.402 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -12.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y69 L271 | Y69-G273 WeakPolarHBondContact CE1-O 3.37Å; L271-G273 PolarHBondContact O-N 2.91Å |
| 274 | C | 95.7 | Very high | 94.6 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 10% | 0.101 | 15% | 0.15 | C | C | . | . | trans | -98.2 | 121.1 | 175.2 | -170 | 0 | 0 | 0 | 0 | 112.1 | Y69 P109 L271 I277 | Y69-C274 WeakPolarHBondContact OH-CA 3.36Å; Y69-C274 PolarHBondContact OH-SG 3.17Å; P109-C274 HydrophobicContact CB-CB 3.78Å; P109-C274 HydrophobicContact CG-CB 4.14Å; L271-C274 HydrophobicContact CB-CB 4.17Å; L271-C274 VanDerWaalsContact O-CB 3.3Å; L271-C274 WeakPolarHBondContact O-CB 3.45Å; L271-C274 PolarHBondContact O-N 2.76Å; C274-I277 PolarHBondContact SG-N 3.24Å; C274-I277 VanDerWaalsContact SG-N 3.39Å | ||
| 275 | N | 93.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 22.7 Ų | 22.7 | 59% | 0.594 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -88.8 | -13.4 | 177.9 | -68.2 | -58.5 | 0 | 0 | 0 | 113.4 | E67 | E67-N275 PolarHBondContact OE1-ND2 3.12Å; E67-N275 PolarHBondContact OE2-N 3.08Å; E67-N275 VanDerWaalsContact OE2-N 3.1Å |
| 276 | L | 93.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 9% | 0.089 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -98.9 | -32 | -171.7 | -60.1 | -172.2 | 0 | 0 | 0 | 113.7 | A49 V51 E65 E67 F225 R226 | A49-L276 HydrophobicContact CB-CB 4.45Å; A49-L276 HydrophobicContact CB-CD1 4.1Å; V51-L276 HydrophobicContact CG2-CB 3.79Å; V51-L276 HydrophobicContact CG2-CD1 4.44Å; E65-L276 HydrophobicContact CB-CD1 4.32Å; E65-L276 HydrophobicContact CB-CD2 4.19Å; E65-L276 HydrophobicContact CG-CD1 4.26Å; E65-L276 HydrophobicContact CG-CD2 3.59Å; E67-L276 HydrophobicContact CB-CD1 3.77Å; E67-L276 HydrophobicContact CB-CG 4.13Å; F225-L276 WeakPolarHBondContact CA-O 3.31Å; R226-L276 PolarHBondContact N-O 2.83Å |
| 277 | I | 94.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.9 | -172.3 | -52.8 | 178 | 0 | 0 | 0 | 108.4 | V51 F112 Y118 V119 N224 F225 L271 C274 | V51-I277 HydrophobicContact CG2-CG1 4.13Å; F112-I277 HydrophobicContact CD1-CD1 4.14Å; F112-I277 HydrophobicContact CD1-CG2 4.04Å; F112-I277 HydrophobicContact CE1-CD1 4.46Å; F112-I277 HydrophobicContact CE1-CG2 3.86Å; F112-I277 HydrophobicContact CZ-CG2 4.21Å; Y118-I277 WeakPolarHBondContact O-CD1 3.49Å; V119-I277 HydrophobicContact CG2-CD1 4.18Å; N224-I277 WeakPolarHBondContact O-CA 3.45Å; F225-I277 HydrophobicContact CD1-CD1 4.35Å; F225-I277 HydrophobicContact CD1-CG1 3.98Å; F225-I277 HydrophobicContact CD1-CG2 4.21Å; F225-I277 HydrophobicContact CE1-CD1 4.26Å; F225-I277 HydrophobicContact CE1-CG1 4.27Å; F225-I277 HydrophobicContact CE1-CG2 3.96Å; L271-I277 HydrophobicContact CD1-CB 4.29Å; L271-I277 HydrophobicContact CD1-CG2 3.94Å; C274-I277 PolarHBondContact SG-N 3.24Å; C274-I277 VanDerWaalsContact SG-N 3.39Å |
| 278 | Q | 94.5 | Very high | 94.6 | Very high | 62 Ų | 62 | 25.1 Ų | 25.1 | 29% | 0.29 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.4 | 176.6 | -169.7 | 179.3 | -1.2 | 0 | 0 | 110.1 | L223 N224 D270 | L223-Q278 WeakPolarHBondContact CA-O 3.3Å; N224-Q278 HydrophobicContact CB-CB 4.32Å; N224-Q278 PolarHBondContact N-O 2.7Å; N224-Q278 PolarHBondContact O-N 3.15Å; D270-Q278 PolarHBondContact OD1-NE2 3Å |
| 279 | V | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132 | 178 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F112 Q221 N222 L223 P267 D270 L271 Y281 | F112-V279 HydrophobicContact CD2-CG2 3.87Å; F112-V279 HydrophobicContact CE2-CG2 3.54Å; F112-V279 HydrophobicContact CZ-CG2 4.41Å; Q221-V279 HydrophobicContact CG-CG1 3.87Å; N222-V279 WeakPolarHBondContact O-CA 3.5Å; L223-V279 HydrophobicContact CD2-CB 4.38Å; L223-V279 HydrophobicContact CD2-CG1 4.1Å; L223-V279 HydrophobicContact CD2-CG2 3.77Å; P267-V279 HydrophobicContact CG-CG1 4.14Å; P267-V279 HydrophobicContact CG-CG2 4.42Å; D270-V279 PolarHBondContact N-O 2.81Å; L271-V279 HydrophobicContact CD1-CG2 3.65Å; L271-V279 HydrophobicContact CG-CB 4.42Å; L271-V279 HydrophobicContact CG-CG2 3.75Å; V279-Y281 HydrophobicContact CG1-CE1 4.37Å; V279-Y281 HydrophobicContact CG1-CE2 3.75Å |
| 280 | S | 95.2 | Very high | 94.2 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.4 | 171 | 60.4 | 0 | 0 | 0 | 0 | 111 | N222 | N222-S280 WeakPolarHBondContact CB-OG 3.46Å; N222-S280 PolarHBondContact N-O 2.76Å; N222-S280 PolarHBondContact ND2-OG 2.85Å; N222-S280 PolarHBondContact O-N 3.05Å |
| 281 | Y | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.9 | -177.3 | -58.7 | -86.5 | 0 | 0 | 0 | 111.8 | L219 Q220 Q221 L266 P267 V279 I302 I304 | L219-Y281 HydrophobicContact CD2-CD1 3.6Å; L219-Y281 HydrophobicContact CD2-CE1 4.21Å; L219-Y281 HydrophobicContact CD2-CG 4.13Å; L219-Y281 HydrophobicContact CG-CD1 3.94Å; L219-Y281 HydrophobicContact CG-CG 4.41Å; Q220-Y281 CarbonylContact O-C 3.57Å; Q220-Y281 VanDerWaalsContact O-CA 3.31Å; Q220-Y281 WeakPolarHBondContact O-CA 3.47Å; Q221-Y281 HydrophobicContact CB-CD1 3.91Å; Q221-Y281 HydrophobicContact CB-CE1 3.69Å; Q221-Y281 HydrophobicContact CG-CD1 4.15Å; Q221-Y281 HydrophobicContact CG-CE1 3.59Å; Q221-Y281 PolarHBondContact NE2-OH 2.94Å; L266-Y281 HydrophobicContact CD1-CE1 4.04Å; L266-Y281 HydrophobicContact CD2-CE1 4.45Å; P267-Y281 WeakPolarHBondContact CD-OH 3.11Å; P267-Y281 WeakPolarHBondContact CG-OH 3.06Å; P267-Y281 WeakPolarHBondContact O-CE2 3.03Å; P267-Y281 PolarHBondContact O-OH 2.78Å; V279-Y281 HydrophobicContact CG1-CE1 4.37Å; V279-Y281 HydrophobicContact CG1-CE2 3.75Å; Y281-I302 PolarHBondContact O-N 2.77Å; Y281-I304 HydrophobicContact CD1-CG1 4.49Å; Y281-I304 HydrophobicContact CD2-CB 4.03Å; Y281-I304 HydrophobicContact CD2-CG1 3.44Å; Y281-I304 VanDerWaalsContact CD2-CG1 3.44Å; Y281-I304 HydrophobicContact CE2-CB 3.8Å; Y281-I304 HydrophobicContact CE2-CG1 3.57Å; Y281-I304 HydrophobicContact CG-CG1 3.93Å |
| 282 | L | 95 | Very high | 93.2 | Very high | 40 Ų | 40 | 35.6 Ų | 35.6 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.4 | 170.1 | -63.8 | 176.2 | 0 | 0 | 0 | 108.7 | Q220 K284 I300 P301 | Q220-L282 HydrophobicContact CB-CB 4.38Å; Q220-L282 PolarHBondContact N-O 2.9Å; Q220-L282 PolarHBondContact O-N 2.83Å; L282-K284 PolarHBondContact O-N 3.15Å; L282-I300 CarbonylContact C-O 3.57Å; L282-I300 WeakPolarHBondContact CA-O 3.36Å; L282-P301 HydrophobicContact CD2-CB 4.22Å; L282-P301 HydrophobicContact CD2-CG 4.12Å |
| 283 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 113.5 | 162.4 | 177.7 | 65.1 | 0 | 0 | 0 | 107.9 | L185 I187 I198 L200 L219 S299 I300 I302 | L185-L283 HydrophobicContact CD2-CD2 4.03Å; L185-L283 HydrophobicContact CD2-CG 4.48Å; I187-L283 HydrophobicContact CD1-CD2 4.27Å; I187-L283 HydrophobicContact CG2-CD2 3.96Å; I198-L283 HydrophobicContact CG2-CD2 4.29Å; L200-L283 HydrophobicContact CD2-CD1 4.26Å; L200-L283 HydrophobicContact CD2-CD2 3.65Å; L219-L283 HydrophobicContact CD1-CB 4.49Å; L283-S299 VanDerWaalsContact O-CA 3.28Å; L283-S299 WeakPolarHBondContact O-CA 3.3Å; L283-I300 HydrophobicContact CB-CB 4.46Å; L283-I300 PolarHBondContact N-O 2.88Å; L283-I300 PolarHBondContact O-N 3.45Å; L283-I302 HydrophobicContact CB-CD1 4.05Å; L283-I302 HydrophobicContact CB-CG1 3.67Å |
| 284 | K | 95.7 | Very high | 92.3 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.2 | 175.6 | -67.6 | -61.3 | -166 | 172.1 | 0 | 108.8 | A217 F218 Q220 L282 I286 S299 | A217-K284 CarbonylContact C-O 3.56Å; A217-K284 VanDerWaalsContact CA-O 3.23Å; A217-K284 WeakPolarHBondContact CA-O 3.33Å; F218-K284 HydrophobicContact CD1-CB 4.19Å; F218-K284 HydrophobicContact CD2-CB 3.95Å; F218-K284 HydrophobicContact CD2-CG 4.23Å; F218-K284 HydrophobicContact CE1-CB 3.85Å; F218-K284 HydrophobicContact CE2-CB 3.6Å; F218-K284 HydrophobicContact CE2-CG 3.59Å; F218-K284 HydrophobicContact CG-CB 4.25Å; F218-K284 HydrophobicContact CZ-CB 3.54Å; F218-K284 HydrophobicContact CZ-CG 3.81Å; F218-K284 PolarHBondContact N-O 2.87Å; F218-K284 PolarHBondContact O-N 2.87Å; Q220-K284 HydrophobicContact CB-CG 3.84Å; L282-K284 PolarHBondContact O-N 3.15Å; K284-I286 HydrophobicContact CB-CD1 4.28Å; K284-I286 HydrophobicContact CB-CG1 4.24Å; K284-S299 WeakPolarHBondContact CD-OG 3.34Å; K284-S299 WeakPolarHBondContact CE-OG 3.23Å; K284-S299 PolarHBondContact NZ-OG 2.78Å |
| 285 | F | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118 | 170.6 | -173.5 | -113.8 | 0 | 0 | 0 | 108.1 | M183 L185 V204 V215 Q216 A217 W256 H297 V298 | M183-F285 HydrophobicContact CE-CD1 4.21Å; M183-F285 VanDerWaalsContact CE-O 3.31Å; M183-F285 WeakPolarHBondContact CE-O 3.45Å; M183-F285 HydrophobicContact CG-CD1 3.7Å; M183-F285 HydrophobicContact CG-CE1 3.68Å; M183-F285 HydrophobicContact SD-CD1 3.36Å; M183-F285 WeakPolarHBondContact SD-CD1 3.41Å; M183-F285 HydrophobicContact SD-CE1 3.62Å; M183-F285 HydrophobicContact SD-CG 4.38Å; L185-F285 HydrophobicContact CB-CD1 4.15Å; L185-F285 HydrophobicContact CD1-CD1 4.32Å; L185-F285 HydrophobicContact CD1-CD2 4.31Å; L185-F285 HydrophobicContact CD1-CG 4.19Å; L185-F285 HydrophobicContact CD2-CB 3.7Å; L185-F285 HydrophobicContact CD2-CG 4.17Å; V204-F285 HydrophobicContact CG2-CE1 3.75Å; V204-F285 HydrophobicContact CG2-CZ 4.02Å; V215-F285 HydrophobicContact CG1-CD2 4.3Å; V215-F285 HydrophobicContact CG1-CE1 3.98Å; V215-F285 HydrophobicContact CG1-CE2 3.59Å; V215-F285 HydrophobicContact CG1-CZ 3.39Å; Q216-F285 WeakPolarHBondContact O-CA 3.41Å; A217-F285 HydrophobicContact CB-CD2 3.72Å; A217-F285 HydrophobicContact CB-CE2 4.35Å; W256-F285 AromaticContact CD2-CE2 3.91Å; W256-F285 HydrophobicContact CD2-CE2 3.91Å; W256-F285 HydrophobicContact CD2-CZ 4.16Å; W256-F285 AromaticContact CE2-CE2 3.73Å; W256-F285 AromaticContact CE2-CZ 3.94Å; W256-F285 HydrophobicContact CE3-CE2 4.21Å; W256-F285 HydrophobicContact CG-CE2 4.44Å; W256-F285 HydrophobicContact CG-CZ 4.26Å; W256-F285 HydrophobicContact CH2-CE2 4.25Å; W256-F285 AromaticContact CZ2-CE2 3.92Å; W256-F285 HydrophobicContact CZ2-CE2 3.92Å; W256-F285 HydrophobicContact CZ2-CZ 4.47Å; W256-F285 HydrophobicContact CZ3-CE2 4.39Å; W256-F285 AromaticContact NE1-CZ 3.86Å; F285-H297 CarbonylContact O-C 3.49Å; F285-H297 WeakPolarHBondContact O-CA 3.44Å; F285-V298 HydrophobicContact CB-CG2 3.72Å; F285-V298 HydrophobicContact CD1-CG2 4.12Å; F285-V298 HydrophobicContact CG-CG2 4.41Å; F285-V298 PolarHBondContact N-O 2.9Å; F285-V298 VanDerWaalsContact N-O 3.16Å; F285-V298 PolarHBondContact O-N 2.74Å |
| 286 | I | 95.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 33 Ų | 33 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.3 | -163.2 | -49 | -165.8 | 0 | 0 | 0 | 109.8 | V215 Q216 F218 K284 V288 N295 V296 H297 | V215-I286 WeakPolarHBondContact CA-O 3.03Å; Q216-I286 HydrophobicContact CG-CB 4.08Å; Q216-I286 PolarHBondContact N-O 3.42Å; Q216-I286 PolarHBondContact O-N 2.53Å; F218-I286 HydrophobicContact CE1-CD1 3.55Å; F218-I286 HydrophobicContact CE1-CG1 4.05Å; F218-I286 HydrophobicContact CZ-CD1 3.67Å; K284-I286 HydrophobicContact CB-CD1 4.28Å; K284-I286 HydrophobicContact CB-CG1 4.24Å; I286-V288 HydrophobicContact CG2-CG2 4.31Å; I286-N295 HydrophobicContact CG2-CB 3.83Å; I286-V296 CarbonylContact C-O 3.59Å; I286-V296 WeakPolarHBondContact CA-O 3.49Å; I286-H297 HydrophobicContact CB-CB 4.28Å; I286-H297 HydrophobicContact CD1-CB 4.28Å; I286-H297 HydrophobicContact CG1-CB 3.78Å; I286-H297 HydrophobicContact CG2-CB 4.25Å |
| 287 | A | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 114.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.2 | V181 M183 V204 I212 V215 N295 V296 | V181-A287 HydrophobicContact CG1-CB 4.5Å; M183-A287 HydrophobicContact SD-CB 4.33Å; V204-A287 HydrophobicContact CG1-CB 4.3Å; I212-A287 HydrophobicContact CD1-CB 4.13Å; I212-A287 HydrophobicContact CG2-CB 4.01Å; V215-A287 HydrophobicContact CG2-CB 4.41Å; A287-N295 WeakPolarHBondContact O-CA 3.43Å; A287-V296 HydrophobicContact CB-CB 4.36Å; A287-V296 PolarHBondContact N-O 3.2Å; A287-V296 PolarHBondContact O-N 3.03Å; A287-V296 VanDerWaalsContact O-N 3.14Å |
| 288 | V | 95 | Very high | 91.7 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | I212 T213 C214 Q216 I286 N295 | I212-V288 CarbonylContact C-O 3.56Å; I212-V288 WeakPolarHBondContact CA-O 3.21Å; T213-V288 PolarHBondContact N-O 3.48Å; C214-V288 PolarHBondContact O-N 3.19Å; Q216-V288 VanDerWaalsContact NE2-CG2 3.28Å; I286-V288 HydrophobicContact CG2-CG2 4.31Å; V288-N295 WeakPolarHBondContact CA-OD1 3.07Å |
| 289 | V | 91.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.2 | -178 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | F167 K210 P294 N295 | F167-V289 HydrophobicContact CE1-CG2 4.3Å; F167-V289 HydrophobicContact CZ-CG2 3.75Å; K210-V289 HydrophobicContact CB-CG1 3.72Å; K210-V289 HydrophobicContact CD-CG1 3.87Å; K210-V289 HydrophobicContact CG-CG1 4.4Å; V289-P294 WeakPolarHBondContact CG2-O 3.36Å; V289-N295 PolarHBondContact N-OD1 3.19Å |
| 290 | A | 89.5 | Confident | 91.5 | Very high | 18 Ų | 18 | 35 Ų | 35 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.5 | 160.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R211 G292 G293 | R211-A290 HydrophobicContact CB-CB 4.06Å; R211-A290 WeakPolarHBondContact O-CB 3.28Å; R211-A290 PolarHBondContact O-N 2.88Å; A290-G292 PolarHBondContact O-N 2.99Å; A290-G293 PolarHBondContact O-N 3.03Å; A290-G293 VanDerWaalsContact O-N 3.16Å |
| 291 | N | 85.8 | Confident | 91.4 | Very high | 174 Ų | 174 | 36.5 Ų | 36.5 | 93% | 0.93 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | 58.2 | 30.7 | 174.8 | -53.9 | -26 | 0 | 0 | 0 | 114.6 | G293 | N291-G293 PolarHBondContact O-N 2.81Š|
| 292 | G | 78.8 | Confident | 91.2 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 84% | 0.835 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | 69.8 | 19.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A290 | A290-G292 PolarHBondContact O-N 2.99Š|
| 293 | G | 80.9 | Confident | 91.1 | Very high | 12 Ų | 12 | 36 Ų | 36 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 156.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A290 N291 N295 | A290-G293 PolarHBondContact O-N 3.03Å; A290-G293 VanDerWaalsContact O-N 3.16Å; N291-G293 PolarHBondContact O-N 2.81Å; G293-N295 PolarHBondContact O-N 3.25Å |
| 294 | P | 85.9 | Confident | 91.1 | Very high | 83 Ų | 83 | 36 Ų | 36 | 54% | 0.539 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 119.6 | -179.1 | 23.8 | -25.8 | 0 | 0 | 0 | 110.2 | F167 V289 | F167-P294 HydrophobicContact CD1-CG 4.39Å; F167-P294 HydrophobicContact CE1-CG 3.89Å; F167-P294 WeakPolarHBondContact CE1-O 3.34Å; V289-P294 WeakPolarHBondContact CG2-O 3.36Å |
| 295 | N | 90.6 | Very high | 91 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 143.7 | 179.3 | -64.4 | -20.4 | 0 | 0 | 0 | 111.8 | I286 A287 V288 V289 G293 | I286-N295 HydrophobicContact CG2-CB 3.83Å; A287-N295 WeakPolarHBondContact O-CA 3.43Å; V288-N295 WeakPolarHBondContact CA-OD1 3.07Å; V289-N295 PolarHBondContact N-OD1 3.19Å; G293-N295 PolarHBondContact O-N 3.25Å |
| 296 | V | 90.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.3 | 170.8 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | I163 R165 F167 V181 M183 I286 A287 | I163-V296 HydrophobicContact CG2-CG1 4.08Å; R165-V296 HydrophobicContact CB-CB 4.42Å; R165-V296 HydrophobicContact CB-CG1 3.98Å; R165-V296 HydrophobicContact CB-CG2 3.59Å; R165-V296 HydrophobicContact CG-CB 4.45Å; R165-V296 HydrophobicContact CG-CG1 3.86Å; R165-V296 HydrophobicContact CG-CG2 3.98Å; F167-V296 HydrophobicContact CE2-CG2 4.09Å; F167-V296 HydrophobicContact CZ-CG2 3.72Å; V181-V296 HydrophobicContact CB-CG2 4.12Å; V181-V296 HydrophobicContact CG1-CB 4.47Å; V181-V296 HydrophobicContact CG1-CG2 4.26Å; M183-V296 HydrophobicContact CB-CG1 4.47Å; M183-V296 HydrophobicContact CE-CG1 3.9Å; I286-V296 CarbonylContact C-O 3.59Å; I286-V296 WeakPolarHBondContact CA-O 3.49Å; A287-V296 HydrophobicContact CB-CB 4.36Å; A287-V296 PolarHBondContact N-O 3.2Å; A287-V296 PolarHBondContact O-N 3.03Å; A287-V296 VanDerWaalsContact O-N 3.14Å |
| 297 | H | 92.4 | Very high | 90.5 | Very high | 88 Ų | 88 | 34.1 Ų | 34.1 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.2 | 179.1 | 65.3 | -84.7 | 0 | 0 | 0 | 112.2 | I163 M183 F285 I286 | I163-H297 WeakPolarHBondContact CD1-O 3.09Å; M183-H297 VanDerWaalsContact CE-C 3.47Å; M183-H297 VanDerWaalsContact CE-CA 3.45Å; F285-H297 CarbonylContact O-C 3.49Å; F285-H297 WeakPolarHBondContact O-CA 3.44Å; I286-H297 HydrophobicContact CB-CB 4.28Å; I286-H297 HydrophobicContact CD1-CB 4.28Å; I286-H297 HydrophobicContact CG1-CB 3.78Å; I286-H297 HydrophobicContact CG2-CB 4.25Å |
| 298 | V | 91.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 157.5 | 164.3 | -63.6 | 0 | 0 | 0 | 0 | 108.4 | R161 I163 M183 L185 F285 | R161-V298 HydrophobicContact CB-CB 4.4Å; I163-V298 HydrophobicContact CB-CG1 3.68Å; I163-V298 HydrophobicContact CD1-CB 4.45Å; I163-V298 HydrophobicContact CD1-CG1 3.64Å; I163-V298 HydrophobicContact CG1-CG1 3.71Å; M183-V298 HydrophobicContact CE-CB 4.22Å; M183-V298 HydrophobicContact CE-CG1 3.8Å; M183-V298 HydrophobicContact CE-CG2 4.02Å; M183-V298 VanDerWaalsContact CE-N 3.3Å; L185-V298 HydrophobicContact CB-CG2 3.85Å; L185-V298 HydrophobicContact CD2-CG2 4.02Å; F285-V298 HydrophobicContact CB-CG2 3.72Å; F285-V298 HydrophobicContact CD1-CG2 4.12Å; F285-V298 HydrophobicContact CG-CG2 4.41Å; F285-V298 PolarHBondContact N-O 2.9Å; F285-V298 VanDerWaalsContact N-O 3.16Å; F285-V298 PolarHBondContact O-N 2.74Å |
| 299 | S | 92.4 | Very high | 88.9 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | L283 K284 | L283-S299 VanDerWaalsContact O-CA 3.28Å; L283-S299 WeakPolarHBondContact O-CA 3.3Å; K284-S299 WeakPolarHBondContact CD-OG 3.34Å; K284-S299 WeakPolarHBondContact CE-OG 3.23Å; K284-S299 PolarHBondContact NZ-OG 2.78Å |
| 300 | I | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.2 | 175.5 | -58.8 | 178.4 | 0 | 0 | 0 | 108 | R161 L185 I187 L282 L283 I302 | R161-I300 HydrophobicContact CB-CD1 4.43Å; R161-I300 HydrophobicContact CB-CG1 4.3Å; R161-I300 HydrophobicContact CG-CD1 4.07Å; R161-I300 HydrophobicContact CG-CG1 3.62Å; L185-I300 HydrophobicContact CD2-CD1 3.73Å; L185-I300 HydrophobicContact CD2-CG1 4.34Å; L185-I300 HydrophobicContact CG-CD1 4.11Å; I187-I300 HydrophobicContact CD1-CB 4.33Å; I187-I300 HydrophobicContact CD1-CD1 4.02Å; I187-I300 HydrophobicContact CD1-CG2 3.71Å; I187-I300 HydrophobicContact CG1-CD1 4.04Å; I187-I300 HydrophobicContact CG1-CG2 4.5Å; L282-I300 CarbonylContact C-O 3.57Å; L282-I300 WeakPolarHBondContact CA-O 3.36Å; L283-I300 HydrophobicContact CB-CB 4.46Å; L283-I300 PolarHBondContact N-O 2.88Å; L283-I300 PolarHBondContact O-N 3.45Å; I300-I302 HydrophobicContact CG2-CD1 4.22Å; I300-I302 PolarHBondContact O-N 3.39Å |
| 301 | P | 93 | Very high | 85.6 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 47% | 0.468 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 130 | 171.5 | -20.7 | 33 | 0 | 0 | 0 | 111.3 | L282 | L282-P301 HydrophobicContact CD2-CB 4.22Å; L282-P301 HydrophobicContact CD2-CG 4.12Å |
| 302 | I | 92.5 | Very high | 83.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.7 | 177.8 | -57.1 | -60.3 | 0 | 0 | 0 | 109.3 | I187 C190 F192 L219 Y281 L283 I300 I304 | I187-I302 HydrophobicContact CD1-CD1 3.59Å; C190-I302 CarbonylContact O-C 3.55Å; C190-I302 WeakPolarHBondContact O-CA 3.21Å; F192-I302 HydrophobicContact CD2-CG2 3.88Å; F192-I302 HydrophobicContact CE2-CD1 4.38Å; F192-I302 HydrophobicContact CE2-CG2 4.46Å; L219-I302 HydrophobicContact CD1-CB 4.06Å; L219-I302 HydrophobicContact CD1-CG1 3.97Å; L219-I302 HydrophobicContact CD1-CG2 4.39Å; Y281-I302 PolarHBondContact O-N 2.77Å; L283-I302 HydrophobicContact CB-CD1 4.05Å; L283-I302 HydrophobicContact CB-CG1 3.67Å; I300-I302 HydrophobicContact CG2-CD1 4.22Å; I300-I302 PolarHBondContact O-N 3.39Å; I302-I304 HydrophobicContact CG2-CD1 3.85Å |
| 303 | V | 93 | Very high | 81.9 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.4 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | L147 L149 R152 C190 A191 F192 T269 | L147-V303 HydrophobicContact CD2-CG1 4.36Å; L149-V303 HydrophobicContact CD2-CG1 4.21Å; R152-V303 HydrophobicContact CG-CG1 4.26Å; C190-V303 PolarHBondContact O-N 2.94Å; A191-V303 VanDerWaalsContact CA-O 3.28Å; A191-V303 WeakPolarHBondContact CA-O 3.39Å; A191-V303 HydrophobicContact CB-CB 4.04Å; F192-V303 PolarHBondContact N-O 2.89Å; T269-V303 WeakPolarHBondContact OG1-CA 3.28Å |
| 304 | I | 94.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.2 | 171.3 | -57 | -59.3 | 0 | 0 | 0 | 107.5 | L147 F192 P194 L219 V263 L266 P268 T269 Y281 I302 | L147-I304 WeakPolarHBondContact CD2-O 3.38Å; F192-I304 HydrophobicContact CB-CD1 4.44Å; F192-I304 CarbonylContact O-C 3.58Å; F192-I304 WeakPolarHBondContact O-CA 3.45Å; P194-I304 HydrophobicContact CG-CG2 4.39Å; L219-I304 HydrophobicContact CD2-CD1 4.41Å; V263-I304 HydrophobicContact CG1-CD1 3.77Å; L266-I304 HydrophobicContact CB-CG2 4.25Å; P268-I304 CarbonylContact C-O 3.51Å; P268-I304 WeakPolarHBondContact CA-O 3.37Å; T269-I304 PolarHBondContact N-O 2.81Å; T269-I304 PolarHBondContact OG1-N 3.1Å; Y281-I304 HydrophobicContact CD1-CG1 4.49Å; Y281-I304 HydrophobicContact CD2-CB 4.03Å; Y281-I304 HydrophobicContact CD2-CG1 3.44Å; Y281-I304 VanDerWaalsContact CD2-CG1 3.44Å; Y281-I304 HydrophobicContact CE2-CB 3.8Å; Y281-I304 HydrophobicContact CE2-CG1 3.57Å; Y281-I304 HydrophobicContact CG-CG1 3.93Å; I302-I304 HydrophobicContact CG2-CD1 3.85Å |
| 305 | G | 93.2 | Very high | 77.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -103.2 | 179.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F192 P194 | F192-G305 PolarHBondContact O-N 3.24Å; P194-G305 WeakPolarHBondContact CD-O 3.32Å | ||
| 306 | T | 92 | Very high | 74.4 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -116 | -12.7 | 175.2 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | Y19 V144 G145 L147 P268 Y383 | Y19-T306 PolarHBondContact OH-O 3.4Å; V144-T306 HydrophobicContact CG1-CG2 3.63Å; G145-T306 WeakPolarHBondContact O-CG2 3.37Å; G145-T306 PolarHBondContact O-OG1 2.72Å; L147-T306 PolarHBondContact N-OG1 3.02Å; L147-T306 PolarHBondContact O-N 3.06Å; P268-T306 HydrophobicContact CB-CG2 3.82Å; P268-T306 HydrophobicContact CG-CG2 3.77Å; T306-Y383 PolarHBondContact O-OH 2.98Å |
| 307 | V | 89.1 | Confident | 71.7 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -133.1 | 123.1 | 177 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | Y19 I146 L147 Q148 L149 A340 | Y19-V307 HydrophobicContact CE1-CG2 4.29Å; I146-V307 HydrophobicContact CG2-CG2 4.34Å; L147-V307 PolarHBondContact O-N 3.43Å; Q148-V307 HydrophobicContact CB-CB 4.43Å; Q148-V307 HydrophobicContact CG-CB 4.03Å; Q148-V307 HydrophobicContact CG-CG1 4.33Å; Q148-V307 HydrophobicContact CG-CG2 4.34Å; L149-V307 PolarHBondContact N-O 2.95Å; L149-V307 VanDerWaalsContact N-O 3.13Å; V307-A340 HydrophobicContact CG2-CB 4.39Å |
| 308 | P | 84.2 | Confident | 69 | Low | 18 Ų | 18 | 62.8 Ų | 62.8 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | trans | -71.7 | 162.3 | 179.9 | 30.4 | -36 | 0 | 0 | 0 | 112.4 | V193 F344 Y383 | V193-P308 HydrophobicContact CG1-CB 4.27Å; V193-P308 HydrophobicContact CG2-CB 4.12Å; P308-F344 HydrophobicContact CG-CD2 3.82Å; P308-F344 HydrophobicContact CG-CE2 3.34Å; P308-F344 HydrophobicContact CG-CZ 4.2Å; P308-Y383 HydrophobicContact CG-CD1 4.27Å; P308-Y383 HydrophobicContact CG-CE1 4.02Å | ||
| 309 | L | 72.9 | Confident | 66.2 | Low | 90 Ų | 90 | 73.9 Ų | 73.9 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -63.8 | -53.5 | -177.1 | -171.3 | 85.1 | 0 | 0 | 0 | 112.6 | F156 | F156-L309 HydrophobicContact CD2-CD1 4.08Å; F156-L309 HydrophobicContact CE1-CB 4.07Å; F156-L309 HydrophobicContact CE1-CD2 4.42Å; F156-L309 HydrophobicContact CE2-CB 4.26Å; F156-L309 HydrophobicContact CE2-CD1 3.39Å; F156-L309 HydrophobicContact CE2-CD2 4.36Å; F156-L309 HydrophobicContact CE2-CG 4.2Å; F156-L309 HydrophobicContact CZ-CB 3.61Å; F156-L309 HydrophobicContact CZ-CD1 3.69Å; F156-L309 HydrophobicContact CZ-CD2 4.26Å; F156-L309 HydrophobicContact CZ-CG 4.04Å |
| 310 | E | 63.6 | Low | 63.4 | Low | 152 Ų | 152 | 78 Ų | 78 | 71% | 0.71 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -152.4 | 146.8 | 175.8 | -82.6 | -177.7 | 174.7 | 0 | 0 | 107.2 | I312 | E310-I312 PolarHBondContact O-N 3.24Š|
| 311 | P | 48.5 | Very low | 60.7 | Low | 36 Ų | 36 | 83 Ų | 83 | 23% | 0.234 | 45% | 0.452 | C | S | . | . | trans | -60.7 | 124.2 | -177.4 | 17.3 | -25.1 | 0 | 0 | 0 | 111 | Y313 F344 I345 | P311-Y313 HydrophobicContact CB-CD2 3.77Å; P311-Y313 PolarHBondContact O-N 2.88Å; P311-F344 HydrophobicContact CB-CD2 4.3Å; P311-F344 HydrophobicContact CB-CE2 3.8Å; P311-F344 HydrophobicContact CB-CZ 4.19Å; P311-I345 WeakPolarHBondContact CB-O 3.49Å; P311-I345 HydrophobicContact CG-CB 3.76Å; P311-I345 WeakPolarHBondContact CG-O 3.37Å | ||
| 312 | I | 45.4 | Very low | 57.8 | Low | 91 Ų | 91 | 88 Ų | 88 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | trans | -72.4 | 63.3 | 164.7 | -50.5 | 169.4 | 0 | 0 | 0 | 107.5 | E310 T385 | E310-I312 PolarHBondContact O-N 3.24Å; I312-T385 HydrophobicContact CD1-CG2 3.91Å | ||
| 313 | Y | 41.7 | Very low | 55 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | trans | -125.9 | 92.3 | 167 | -70 | -75.8 | 0 | 0 | 0 | 106.8 | P311 A315 F344 P347 | P311-Y313 HydrophobicContact CB-CD2 3.77Å; P311-Y313 PolarHBondContact O-N 2.88Å; Y313-A315 PolarHBondContact O-N 2.83Å; Y313-F344 HydrophobicContact CE2-CZ 4.42Å; Y313-P347 HydrophobicContact CE1-CG 4.33Å; Y313-P347 HydrophobicContact CE2-CG 4.19Å; Y313-P347 VanDerWaalsContact OH-CD 3.24Å; Y313-P347 WeakPolarHBondContact OH-CD 3.21Å; Y313-P347 WeakPolarHBondContact OH-CG 3.31Å | ||
| 314 | T | 33.3 | Very low | 52.2 | Low | 142 Ų | 142 | 95 Ų | 95 | 87% | 0.871 | 53% | 0.534 | S | S | * | . | trans | -67.2 | 75.3 | 153.6 | 36.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 315 | A | 32.8 | Very low | 49.3 | Very low | 78 Ų | 78 | 100.8 Ų | 100.8 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 127.3 | 167 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y313 | Y313-A315 PolarHBondContact O-N 2.83Š|
| 316 | P | 33.5 | Very low | 46.5 | Very low | 111 Ų | 111 | 105.2 Ų | 105.2 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.5 | 175.1 | 23.4 | -30.1 | 0 | 0 | 0 | 109.1 | R318 | P316-R318 PolarHBondContact O-N 3.23Š|
| 317 | P | 34.9 | Very low | 43.9 | Very low | 127 Ų | 127 | 111.3 Ų | 111.3 | 83% | 0.825 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 121.4 | -171.6 | 20.4 | -31.7 | 0 | 0 | 0 | 109.6 | R319 | P317-R319 PolarHBondContact O-N 2.86Š|
| 318 | R | 34.6 | Very low | 41.3 | Very low | 240 Ų | 240 | 119.7 Ų | 119.7 | 91% | 0.906 | 69% | 0.692 | S | S | * | * | trans | -51.5 | 104.9 | 173.7 | -75.6 | -178.2 | 175.3 | 169.4 | -1.2 | 107.7 | P316 S320 | P316-R318 PolarHBondContact O-N 3.23Å; R318-S320 PolarHBondContact O-N 2.95Å | ||
| 319 | R | 32.7 | Very low | 38.7 | Very low | 236 Ų | 236 | 127.1 Ų | 127.1 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | -64.7 | 103.9 | 163.9 | -108.6 | 179.2 | 178.3 | 175.3 | -0.3 | 105.7 | P317 S321 | P317-R319 PolarHBondContact O-N 2.86Å; R319-S321 VanDerWaalsContact C-N 3.27Å; R319-S321 PolarHBondContact O-N 2.86Å | ||
| 320 | S | 33.6 | Very low | 37 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | -55.4 | 91.1 | 170.8 | 18.1 | 0 | 0 | 0 | 0 | 108.8 | R318 | R318-S320 PolarHBondContact O-N 2.95Š| ||
| 321 | S | 35.3 | Very low | 35.6 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -99.2 | 105.6 | 164.1 | 43.1 | 0 | 0 | 0 | 0 | 106.6 | R319 A323 | R319-S321 VanDerWaalsContact C-N 3.27Å; R319-S321 PolarHBondContact O-N 2.86Å; S321-A323 PolarHBondContact O-N 2.88Å | ||
| 322 | I | 33.3 | Very low | 34.8 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | trans | -68.4 | 104.1 | 167.9 | -64.1 | 163 | 0 | 0 | 0 | 105.4 | ||||
| 323 | A | 34.1 | Very low | 34.3 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -133.7 | 129.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S321 | S321-A323 PolarHBondContact O-N 2.88Š| ||
| 324 | A | 33 | Very low | 34 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -69.5 | 142 | -161 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 325 | S | 32.7 | Very low | 34.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 10.7 | 110.8 | 147.8 | 55.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 326 | A | 34.7 | Very low | 34.8 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -130.9 | 155.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 327 | P | 38 | Very low | 35.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 145.3 | -156.5 | -11.3 | 27.8 | 0 | 0 | 0 | 114.1 | E329 | P327-E329 PolarHBondContact O-N 2.96Š| ||
| 328 | M | 33.6 | Very low | 36.4 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -70.6 | 104.1 | -174.1 | -158.9 | 170.6 | -163.8 | 0 | 0 | 111.3 | ||||
| 329 | E | 31.3 | Very low | 37.2 | Very low | 174 Ų | 174 | 121 Ų | 121 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | -78.6 | 141.5 | 165.3 | -145 | 162.8 | -166.2 | 0 | 0 | 108.5 | P327 T331 | P327-E329 PolarHBondContact O-N 2.96Å; E329-T331 PolarHBondContact O-N 2.78Å; E329-T331 VanDerWaalsContact O-N 3.09Å | ||
| 330 | P | 36.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -69.3 | 114.3 | -166.2 | 26 | -31.9 | 0 | 0 | 0 | 110.8 | ||||
| 331 | T | 35.2 | Very low | 39.3 | Very low | 112 Ų | 112 | 105.8 Ų | 105.8 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | trans | -58.5 | 127.7 | 172.3 | 39.9 | 0 | 0 | 0 | 0 | 110 | E329 L333 | E329-T331 PolarHBondContact O-N 2.78Å; E329-T331 VanDerWaalsContact O-N 3.09Å; T331-L333 PolarHBondContact O-N 3Å | ||
| 332 | P | 31.2 | Very low | 40.2 | Very low | 117 Ų | 117 | 107.1 Ų | 107.1 | 76% | 0.76 | 65% | 0.648 | S | S | * | * | trans | -56.5 | 137.7 | 170.6 | -20.3 | 31.4 | 0 | 0 | 0 | 109.8 | E334 | P332-E334 VanDerWaalsContact C-N 3.32Å; P332-E334 PolarHBondContact O-N 3.16Å | ||
| 333 | L | 33.6 | Very low | 41 | Very low | 179 Ų | 179 | 105.2 Ų | 105.2 | 94% | 0.937 | 64% | 0.64 | S | S | * | * | trans | -62.9 | 90.8 | 175.9 | -67.4 | 163 | 0 | 0 | 0 | 108.9 | T331 | T331-L333 PolarHBondContact O-N 3Š| ||
| 334 | E | 37.4 | Very low | 41.8 | Very low | 175 Ų | 175 | 102.4 Ų | 102.4 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -67 | 128.9 | 167.5 | -84 | -176.6 | 147.8 | 0 | 0 | 108.7 | P332 | P332-E334 VanDerWaalsContact C-N 3.32Å; P332-E334 PolarHBondContact O-N 3.16Å | ||
| 335 | P | 39.5 | Very low | 42.7 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | trans | -64.5 | 138.8 | -178.8 | 24 | -30.4 | 0 | 0 | 0 | 110.5 | A337 | P335-A337 PolarHBondContact O-N 2.75Å; P335-A337 VanDerWaalsContact O-N 3.08Å | ||
| 336 | S | 43.2 | Very low | 43.8 | Very low | 91 Ų | 91 | 100.2 Ų | 100.2 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | trans | -43.7 | 113.2 | -178 | -175 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 337 | A | 47.7 | Very low | 45 | Very low | 42 Ų | 42 | 99.1 Ų | 99.1 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | trans | -53.1 | 140.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | P335 L341 E342 | P335-A337 PolarHBondContact O-N 2.75Å; P335-A337 VanDerWaalsContact O-N 3.08Å; A337-L341 HydrophobicContact CB-CB 3.99Å; A337-E342 HydrophobicContact CB-CG 4.38Å | ||
| 338 | P | 52.7 | Low | 46.8 | Very low | 8 Ų | 8 | 98 Ų | 98 | 5% | 0.052 | 56% | 0.56 | C | S | . | * | trans | -56.5 | 154.3 | 170.6 | 22 | -31.4 | 0 | 0 | 0 | 109.6 | Y19 T22 I146 A340 L341 E342 | Y19-P338 HydrophobicContact CD2-CG 3.78Å; Y19-P338 HydrophobicContact CE2-CG 4.44Å; Y19-P338 HydrophobicContact CG-CG 3.83Å; T22-P338 HydrophobicContact CG2-CB 3.68Å; T22-P338 HydrophobicContact CG2-CG 4.18Å; I146-P338 HydrophobicContact CD1-CB 4.5Å; P338-A340 PolarHBondContact O-N 3.43Å; P338-L341 HydrophobicContact CG-CB 3.91Å; P338-L341 HydrophobicContact CG-CD1 3.64Å; P338-L341 HydrophobicContact CG-CG 3.95Å; P338-L341 WeakPolarHBondContact O-CA 3.46Å; P338-L341 PolarHBondContact O-N 3.48Å; P338-E342 PolarHBondContact O-N 3.31Å | ||
| 339 | P | 53.2 | Low | 49.2 | Very low | 79 Ų | 79 | 90 Ų | 90 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -52.6 | -31.4 | -178 | -23.8 | 30.7 | 0 | 0 | 0 | 113.5 | E342 | P339-E342 PolarHBondContact O-N 2.85Å |
| 340 | A | 53.2 | Low | 52 | Low | 16 Ų | 16 | 85 Ų | 85 | 13% | 0.132 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -69.5 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I146 Q148 V307 P338 | I146-A340 HydrophobicContact CD1-CB 4.46Å; I146-A340 HydrophobicContact CG2-CB 4.36Å; Q148-A340 HydrophobicContact CG-CB 4.41Å; V307-A340 HydrophobicContact CG2-CB 4.39Å; P338-A340 PolarHBondContact O-N 3.43Å |
| 341 | L | 55.5 | Low | 54.6 | Low | 22 Ų | 22 | 82.2 Ų | 82.2 | 12% | 0.115 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -87.4 | -18.2 | 175.8 | -79.1 | 171.7 | 0 | 0 | 0 | 112.8 | Y19 A337 P338 N343 F344 | Y19-L341 HydrophobicContact CD2-CD1 3.99Å; Y19-L341 HydrophobicContact CE2-CD1 3.4Å; Y19-L341 VanDerWaalsContact CE2-CD1 3.4Å; A337-L341 HydrophobicContact CB-CB 3.99Å; P338-L341 HydrophobicContact CG-CB 3.91Å; P338-L341 HydrophobicContact CG-CD1 3.64Å; P338-L341 HydrophobicContact CG-CG 3.95Å; P338-L341 WeakPolarHBondContact O-CA 3.46Å; P338-L341 PolarHBondContact O-N 3.48Å; L341-N343 PolarHBondContact O-N 3.28Å; L341-F344 HydrophobicContact CD2-CB 3.86Å; L341-F344 HydrophobicContact CD2-CD1 4.23Å; L341-F344 HydrophobicContact CD2-CG 4.09Å; L341-F344 WeakPolarHBondContact O-CB 3.21Å; L341-F344 PolarHBondContact O-N 2.92Å |
| 342 | E | 54.6 | Low | 57.3 | Low | 133 Ų | 133 | 78.9 Ų | 78.9 | 62% | 0.621 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.2 | -29.6 | 173.2 | -72.2 | -174.2 | 157.9 | 0 | 0 | 112.1 | A337 P338 P339 | A337-E342 HydrophobicContact CB-CG 4.38Å; P338-E342 PolarHBondContact O-N 3.31Å; P339-E342 PolarHBondContact O-N 2.85Å |
| 343 | N | 50 | Low | 60.2 | Low | 138 Ų | 138 | 78.4 Ų | 78.4 | 74% | 0.738 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.5 | 175.7 | -65.6 | -28.6 | 0 | 0 | 0 | 113.8 | L341 I345 | L341-N343 PolarHBondContact O-N 3.28Å; N343-I345 PolarHBondContact O-N 2.89Å |
| 344 | F | 50.9 | Low | 62.9 | Low | 30 Ų | 30 | 69.9 Ų | 69.9 | 13% | 0.132 | 41% | 0.405 | C | S | . | . | trans | -81.8 | 105.4 | -178.2 | -177 | -103.7 | 0 | 0 | 0 | 111 | P308 P311 Y313 L341 G346 P347 Y383 | P308-F344 HydrophobicContact CG-CD2 3.82Å; P308-F344 HydrophobicContact CG-CE2 3.34Å; P308-F344 HydrophobicContact CG-CZ 4.2Å; P311-F344 HydrophobicContact CB-CD2 4.3Å; P311-F344 HydrophobicContact CB-CE2 3.8Å; P311-F344 HydrophobicContact CB-CZ 4.19Å; Y313-F344 HydrophobicContact CE2-CZ 4.42Å; L341-F344 HydrophobicContact CD2-CB 3.86Å; L341-F344 HydrophobicContact CD2-CD1 4.23Å; L341-F344 HydrophobicContact CD2-CG 4.09Å; L341-F344 WeakPolarHBondContact O-CB 3.21Å; L341-F344 PolarHBondContact O-N 2.92Å; F344-G346 VanDerWaalsContact C-N 3.3Å; F344-G346 PolarHBondContact O-N 3.26Å; F344-P347 WeakPolarHBondContact CE1-O 3.37Å; F344-Y383 HydrophobicContact CE1-CD1 4.42Å; F344-Y383 HydrophobicContact CE1-CE1 4.3Å; F344-Y383 HydrophobicContact CE2-CE1 4.46Å; F344-Y383 AromaticContact CZ-CD1 3.98Å; F344-Y383 HydrophobicContact CZ-CD1 3.98Å; F344-Y383 HydrophobicContact CZ-CE1 4.08Å | ||
| 345 | I | 52.6 | Low | 65.3 | Low | 138 Ų | 138 | 64.5 Ų | 64.5 | 71% | 0.708 | 38% | 0.383 | S | S | * | . | trans | -82.3 | 72.1 | 176 | -48.4 | 174.1 | 0 | 0 | 0 | 109.8 | P311 N343 | P311-I345 WeakPolarHBondContact CB-O 3.49Å; P311-I345 HydrophobicContact CG-CB 3.76Å; P311-I345 WeakPolarHBondContact CG-O 3.37Å; N343-I345 PolarHBondContact O-N 2.89Å | ||
| 346 | G | 55.4 | Low | 67.2 | Low | 29 Ų | 29 | 61.7 Ų | 61.7 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -159.7 | 168.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F344 | F344-G346 VanDerWaalsContact C-N 3.3Å; F344-G346 PolarHBondContact O-N 3.26Å |
| 347 | P | 61 | Low | 68.9 | Low | 71 Ų | 71 | 58.2 Ų | 58.2 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 147.5 | 169.2 | 29.9 | -32 | 0 | 0 | 0 | 109.1 | Y313 F344 | Y313-P347 HydrophobicContact CE1-CG 4.33Å; Y313-P347 HydrophobicContact CE2-CG 4.19Å; Y313-P347 VanDerWaalsContact OH-CD 3.24Å; Y313-P347 WeakPolarHBondContact OH-CD 3.21Å; Y313-P347 WeakPolarHBondContact OH-CG 3.31Å; F344-P347 WeakPolarHBondContact CE1-O 3.37Å |
| 348 | P | 74.4 | Confident | 70.3 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 69% | 0.688 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 147.7 | 178.8 | 24.8 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 349 | P | 85.1 | Confident | 71.7 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.6 | 176.9 | 25.9 | -33.1 | 0 | 0 | 0 | 110.6 | P381 Y383 | P349-P381 HydrophobicContact CB-CB 3.73Å; P349-P381 HydrophobicContact CG-CB 3.9Å; P349-Y383 HydrophobicContact CB-CD1 4.04Å; P349-Y383 HydrophobicContact CB-CE1 3.74Å; P349-Y383 HydrophobicContact CB-CE2 4.37Å; P349-Y383 HydrophobicContact CB-CG 4.48Å; P349-Y383 HydrophobicContact CG-CE1 4.11Å |
| 350 | S | 89.4 | Confident | 72.9 | Confident | 67 Ų | 67 | 61 Ų | 61 | 47% | 0.469 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 161 | 162.8 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | P381 T382 | S350-P381 CarbonylContact O-C 3.59Å; S350-P381 WeakPolarHBondContact O-CA 3.33Å; S350-T382 PolarHBondContact N-O 2.88Å; S350-T382 PolarHBondContact O-N 3.33Å; S350-T382 PolarHBondContact OG-O 2.86Å |
| 351 | Y | 90.7 | Very high | 74.3 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 24% | 0.239 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.9 | 175 | -74 | -97.9 | 0 | 0 | 0 | 109.7 | V15 A17 Y19 V144 L379 Y380 P381 | V15-Y351 HydrophobicContact CG2-CD2 3.7Å; V15-Y351 HydrophobicContact CG2-CE2 4.07Å; V15-Y351 HydrophobicContact CG2-CG 3.97Å; A17-Y351 HydrophobicContact CB-CD1 3.5Å; A17-Y351 VanDerWaalsContact CB-CD1 3.5Å; A17-Y351 HydrophobicContact CB-CE1 3.58Å; A17-Y351 HydrophobicContact CB-CG 4.27Å; Y19-Y351 VanDerWaalsContact CE2-OH 3.25Å; Y19-Y351 WeakPolarHBondContact CE2-OH 3.4Å; V144-Y351 HydrophobicContact CG2-CE1 4.31Å; Y351-L379 HydrophobicContact CD1-CB 4.34Å; Y351-Y380 WeakPolarHBondContact CA-O 3.47Å; Y351-P381 HydrophobicContact CE1-CB 4.36Å |
| 352 | S | 91.5 | Very high | 75.4 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.1 | 177.5 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | A265 L379 Y380 T382 | A265-S352 WeakPolarHBondContact CB-O 3.24Å; A265-S352 WeakPolarHBondContact CB-OG 3.15Å; S352-L379 WeakPolarHBondContact O-CA 3.23Å; S352-Y380 PolarHBondContact N-O 3.13Å; S352-Y380 VanDerWaalsContact N-O 3.12Å; S352-Y380 PolarHBondContact O-N 3.4Å; S352-T382 PolarHBondContact OG-OG1 3.46Å |
| 353 | E | 92.1 | Very high | 76.3 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 135.8 | 179 | -71.5 | -171.3 | 174.8 | 0 | 0 | 112 | V355 R377 L379 | E353-V355 PolarHBondContact O-N 2.91Å; E353-R377 HydrophobicContact CB-CG 4.34Å; E353-R377 WeakPolarHBondContact OE2-CD 3.43Å; E353-R377 IonicContact OE2-CZ 3.39Å; E353-R377 IonicContact OE2-NE 2.83Å; E353-R377 IonicContact OE2-NH1 2.65Å; E353-R377 PolarHBondContact OE2-NH1 3.22Å; E353-L379 HydrophobicContact CB-CD2 4.44Å; E353-L379 HydrophobicContact CG-CD2 3.81Å |
| 354 | C | 90.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 122.1 | -178.6 | -175.8 | 0 | 0 | 0 | 0 | 113.7 | A265 P267 M357 R377 P378 Y380 | A265-C354 CarbonylContact O-C 3.57Å; A265-C354 WeakPolarHBondContact O-CA 3.41Å; P267-C354 WeakPolarHBondContact CD-SG 3.37Å; C354-M357 HydrophobicContact CB-CB 4.32Å; C354-M357 HydrophobicContact CB-CG 4.25Å; C354-M357 HydrophobicContact CB-SD 3.76Å; C354-M357 VanDerWaalsContact SG-CG 3.53Å; C354-M357 PolarHBondContact SG-SD 3.32Å; C354-R377 PolarHBondContact O-NE 3.16Å; C354-R377 PolarHBondContact O-NH2 2.88Å; C354-P378 WeakPolarHBondContact CB-O 3.39Å; C354-P378 PolarHBondContact N-O 3.06Å; C354-Y380 HydrophobicContact CB-CD2 3.65Å; C354-Y380 HydrophobicContact CB-CE2 3.56Å |
| 355 | V | 88.1 | Confident | 77.9 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 139.4 | 178.4 | 177 | 0 | 0 | 0 | 0 | 111.7 | P264 A265 E353 M357 | P264-V355 HydrophobicContact CB-CB 3.87Å; P264-V355 HydrophobicContact CB-CG1 4.44Å; P264-V355 HydrophobicContact CB-CG2 3.61Å; P264-V355 HydrophobicContact CG-CB 4Å; P264-V355 HydrophobicContact CG-CG1 4.29Å; P264-V355 HydrophobicContact CG-CG2 4.29Å; A265-V355 PolarHBondContact O-N 2.9Å; E353-V355 PolarHBondContact O-N 2.91Å; V355-M357 VanDerWaalsContact C-N 3.3Å; V355-M357 PolarHBondContact O-N 2.83Å |
| 356 | G | 79.5 | Confident | 78.3 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 4.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 357 | M | 80.1 | Confident | 78.5 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 158.3 | 175.7 | -80.5 | -169.9 | 163.7 | 0 | 0 | 114.1 | F112 P267 C354 V355 P378 | F112-M357 HydrophobicContact CB-CE 4.41Å; F112-M357 HydrophobicContact CD2-CE 3.01Å; F112-M357 HydrophobicContact CE2-CE 3.14Å; F112-M357 HydrophobicContact CG-CE 3.78Å; F112-M357 HydrophobicContact CZ-CE 4Å; P267-M357 HydrophobicContact CB-CE 4.13Å; P267-M357 HydrophobicContact CG-CE 3.49Å; P267-M357 VanDerWaalsContact CG-CE 3.49Å; C354-M357 HydrophobicContact CB-CB 4.32Å; C354-M357 HydrophobicContact CB-CG 4.25Å; C354-M357 HydrophobicContact CB-SD 3.76Å; C354-M357 VanDerWaalsContact SG-CG 3.53Å; C354-M357 PolarHBondContact SG-SD 3.32Å; V355-M357 VanDerWaalsContact C-N 3.3Å; V355-M357 PolarHBondContact O-N 2.83Å; M357-P378 HydrophobicContact SD-CG 4.45Å |
| 358 | Y | 76.4 | Confident | 78.1 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 143.9 | 174.3 | -173.4 | -101.9 | 0 | 0 | 0 | 111.2 | E113 P115 | E113-Y358 WeakPolarHBondContact CB-O 3.36Å; P115-Y358 HydrophobicContact CG-CD2 4.46Å |
| 359 | S | 81.2 | Confident | 77 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 117.7 | 169.9 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 360 | A | 79.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | E113 R120 I362 T375 F376 | E113-A360 HydrophobicContact CG-CB 4.31Å; E113-A360 WeakPolarHBondContact OE2-CB 3.48Å; R120-A360 VanDerWaalsContact NH2-CB 3.28Å; A360-I362 HydrophobicContact CB-CG1 4.32Å; A360-I362 PolarHBondContact O-N 2.9Å; A360-T375 CarbonylContact O-C 3.57Å; A360-T375 VanDerWaalsContact O-CA 3.29Å; A360-T375 WeakPolarHBondContact O-CA 3.49Å; A360-F376 PolarHBondContact N-O 3.41Å; A360-F376 PolarHBondContact O-N 2.89Å |
| 361 | D | 81.6 | Confident | 73.3 | Confident | 83 Ų | 83 | 75.1 Ų | 75.1 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 115 | 165.1 | -164.8 | -11.8 | 0 | 0 | 0 | 109.2 | R363 G374 | D361-R363 WeakPolarHBondContact OD1-CB 3.32Å; D361-R363 WeakPolarHBondContact OD1-CG 3.48Å; D361-R363 IonicContact OD1-CZ 3.97Å; D361-R363 PolarHBondContact OD1-N 2.92Å; D361-R363 IonicContact OD1-NE 2.6Å; D361-R363 PolarHBondContact OD1-NE 2.82Å; D361-R363 IonicContact OD1-NH2 3.83Å; D361-R363 IonicContact OD2-CZ 2.99Å; D361-R363 IonicContact OD2-NE 3.61Å; D361-R363 PolarHBondContact OD2-NE 2.94Å; D361-R363 IonicContact OD2-NH2 2.74Å; D361-R363 PolarHBondContact OD2-NH2 2.84Å; D361-G374 WeakPolarHBondContact CA-O 3.5Å |
| 362 | I | 79 | Confident | 71.4 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.051 | 39% | 0.386 | C | S | . | . | trans | -100.4 | -6.9 | -176.9 | -62.2 | -167 | 0 | 0 | 0 | 112.4 | K138 P140 A360 D364 G374 F376 | K138-I362 HydrophobicContact CD-CG2 4.06Å; K138-I362 PolarHBondContact NZ-O 2.89Å; P140-I362 HydrophobicContact CB-CD1 3.7Å; P140-I362 HydrophobicContact CB-CG2 4.29Å; P140-I362 HydrophobicContact CG-CD1 4.16Å; P140-I362 HydrophobicContact CG-CG2 4.47Å; A360-I362 HydrophobicContact CB-CG1 4.32Å; A360-I362 PolarHBondContact O-N 2.9Å; I362-D364 PolarHBondContact O-N 3.44Å; I362-G374 PolarHBondContact N-O 2.95Å; I362-F376 HydrophobicContact CD1-CB 3.23Å; I362-F376 HydrophobicContact CD1-CD1 3.42Å; I362-F376 VanDerWaalsContact CD1-CD1 3.42Å; I362-F376 HydrophobicContact CD1-CD2 4.42Å; I362-F376 HydrophobicContact CD1-CE1 4.35Å; I362-F376 HydrophobicContact CD1-CG 3.45Å; I362-F376 VanDerWaalsContact CD1-CG 3.45Å; I362-F376 HydrophobicContact CG1-CB 3.75Å; I362-F376 HydrophobicContact CG1-CG 4.47Å | ||
| 363 | R | 72.8 | Confident | 69.7 | Low | 104 Ų | 104 | 80.9 Ų | 80.9 | 39% | 0.392 | 41% | 0.412 | S | S | . | . | trans | -60.1 | 136.7 | 177.6 | -64.9 | 174 | -66.2 | -174.1 | 4.4 | 109.9 | D361 | D361-R363 WeakPolarHBondContact OD1-CB 3.32Å; D361-R363 WeakPolarHBondContact OD1-CG 3.48Å; D361-R363 IonicContact OD1-CZ 3.97Å; D361-R363 PolarHBondContact OD1-N 2.92Å; D361-R363 IonicContact OD1-NE 2.6Å; D361-R363 PolarHBondContact OD1-NE 2.82Å; D361-R363 IonicContact OD1-NH2 3.83Å; D361-R363 IonicContact OD2-CZ 2.99Å; D361-R363 IonicContact OD2-NE 3.61Å; D361-R363 PolarHBondContact OD2-NE 2.94Å; D361-R363 IonicContact OD2-NH2 2.74Å; D361-R363 PolarHBondContact OD2-NH2 2.84Å | ||
| 364 | D | 72.3 | Confident | 68.4 | Low | 42 Ų | 42 | 76.2 Ų | 76.2 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | trans | -79.2 | 146.6 | 170.6 | -66.1 | -33.9 | 0 | 0 | 0 | 108.9 | R124 K138 I362 E366 D367 | R124-D364 IonicContact CZ-OD2 2.85Å; R124-D364 IonicContact NH1-OD2 3.14Å; R124-D364 PolarHBondContact NH1-OD2 2.86Å; R124-D364 IonicContact NH2-OD2 2.73Å; R124-D364 PolarHBondContact NH2-OD2 3.06Å; K138-D364 WeakPolarHBondContact CD-OD2 3.46Å; K138-D364 IonicContact NZ-OD1 2.69Å; K138-D364 PolarHBondContact NZ-OD1 2.89Å; K138-D364 IonicContact NZ-OD2 3.62Å; K138-D364 PolarHBondContact NZ-OD2 2.87Å; I362-D364 PolarHBondContact O-N 3.44Å; D364-E366 PolarHBondContact O-N 2.94Å; D364-D367 WeakPolarHBondContact CB-OD2 3.42Å; D364-D367 PolarHBondContact N-OD2 2.8Å; D364-D367 WeakPolarHBondContact O-CB 3.34Å; D364-D367 PolarHBondContact O-N 2.79Å | ||
| 365 | P | 63.3 | Low | 68 | Low | 114 Ų | 114 | 80.7 Ų | 80.7 | 74% | 0.74 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.6 | -176.2 | 23.3 | -33.3 | 0 | 0 | 0 | 113.6 | ||
| 366 | E | 60.9 | Low | 68 | Low | 175 Ų | 175 | 78.7 Ų | 78.7 | 82% | 0.818 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -12.1 | 176.7 | -59.7 | 177 | -179.5 | 0 | 0 | 112.9 | D364 E368 | D364-E366 PolarHBondContact O-N 2.94Å; E366-E368 PolarHBondContact O-N 2.88Å |
| 367 | D | 59.9 | Low | 68.5 | Low | 34 Ų | 34 | 79.8 Ų | 79.8 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | trans | -75.8 | 98.4 | 180 | -69 | -31.4 | 0 | 0 | 0 | 109.1 | R124 D364 N369 | R124-D367 IonicContact NH2-OD1 3.34Å; R124-D367 IonicContact NH2-OD2 3.95Å; D364-D367 WeakPolarHBondContact CB-OD2 3.42Å; D364-D367 PolarHBondContact N-OD2 2.8Å; D364-D367 WeakPolarHBondContact O-CB 3.34Å; D364-D367 PolarHBondContact O-N 2.79Å; D367-N369 PolarHBondContact O-N 3.2Å | ||
| 368 | E | 51.5 | Low | 69.2 | Low | 178 Ų | 178 | 78.9 Ų | 78.9 | 83% | 0.832 | 39% | 0.394 | S | S | * | . | trans | -64.7 | -1.6 | 177.2 | -64.6 | -173.9 | 164.7 | 0 | 0 | 114.4 | E366 E370 | E366-E368 PolarHBondContact O-N 2.88Å; E368-E370 PolarHBondContact O-N 3.03Å | ||
| 369 | N | 51.9 | Low | 70 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | trans | -82.3 | 80.7 | -177.5 | -71.8 | -22.4 | 0 | 0 | 0 | 111 | D367 D371 T372 | D367-N369 PolarHBondContact O-N 3.2Å; N369-D371 PolarHBondContact O-N 3.06Å; N369-D371 VanDerWaalsContact O-N 3.17Å; N369-T372 WeakPolarHBondContact CB-OG1 3.36Å; N369-T372 PolarHBondContact O-N 2.77Å; N369-T372 PolarHBondContact O-OG1 2.98Å | ||
| 370 | E | 48.7 | Very low | 70.7 | Confident | 161 Ų | 161 | 72 Ų | 72 | 75% | 0.752 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.9 | 174.7 | -71.1 | -179.2 | 158.3 | 0 | 0 | 113.3 | E368 | E368-E370 PolarHBondContact O-N 3.03Š|
| 371 | D | 48.7 | Very low | 71.3 | Confident | 114 Ų | 114 | 72 Ų | 72 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.3 | -172.5 | -62.5 | -35.9 | 0 | 0 | 0 | 115 | R5 N369 | R5-D371 PolarHBondContact NH2-O 3.14Å; N369-D371 PolarHBondContact O-N 3.06Å; N369-D371 VanDerWaalsContact O-N 3.17Å |
| 372 | T | 50.6 | Low | 71.8 | Confident | 43 Ų | 43 | 69 Ų | 69 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -75.9 | 128.1 | 174.3 | -12.7 | 0 | 0 | 0 | 0 | 107.9 | N369 G374 | N369-T372 WeakPolarHBondContact CB-OG1 3.36Å; N369-T372 PolarHBondContact O-N 2.77Å; N369-T372 PolarHBondContact O-OG1 2.98Å; T372-G374 VanDerWaalsContact C-N 3.27Å; T372-G374 PolarHBondContact O-N 2.92Å |
| 373 | E | 56.4 | Low | 72.1 | Confident | 183 Ų | 183 | 69.4 Ų | 69.4 | 86% | 0.855 | 35% | 0.348 | S | S | * | . | trans | -52.8 | 96.1 | 169.8 | -81.7 | -179.2 | 168.4 | 0 | 0 | 108.2 | T375 | E373-T375 PolarHBondContact O-N 3.36Š| ||
| 374 | G | 64.6 | Low | 72.1 | Confident | 9 Ų | 9 | 68 Ų | 68 | 9% | 0.093 | 36% | 0.359 | C | S | . | . | trans | -76.4 | -21 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D361 I362 T372 | D361-G374 WeakPolarHBondContact CA-O 3.5Å; I362-G374 PolarHBondContact N-O 2.95Å; T372-G374 VanDerWaalsContact C-N 3.27Å; T372-G374 PolarHBondContact O-N 2.92Å | ||
| 375 | T | 80.9 | Confident | 71.6 | Confident | 94 Ų | 94 | 67.5 Ų | 67.5 | 58% | 0.577 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 117.1 | 179.9 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | A360 E373 | A360-T375 CarbonylContact O-C 3.57Å; A360-T375 VanDerWaalsContact O-CA 3.29Å; A360-T375 WeakPolarHBondContact O-CA 3.49Å; E373-T375 PolarHBondContact O-N 3.36Å |
| 376 | F | 87.2 | Confident | 70.8 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.1 | 173.8 | 174.9 | -106.1 | 0 | 0 | 0 | 110.8 | E113 P140 A360 I362 P378 | E113-F376 HydrophobicContact CG-CD1 4.27Å; E113-F376 HydrophobicContact CG-CE1 4.49Å; P140-F376 HydrophobicContact CB-CB 4.36Å; P140-F376 HydrophobicContact CB-CD2 3.58Å; P140-F376 HydrophobicContact CB-CE2 3.92Å; P140-F376 HydrophobicContact CB-CG 3.91Å; P140-F376 HydrophobicContact CG-CB 4.06Å; P140-F376 HydrophobicContact CG-CD2 3.63Å; P140-F376 HydrophobicContact CG-CE2 4.35Å; P140-F376 HydrophobicContact CG-CG 4.03Å; A360-F376 PolarHBondContact N-O 3.41Å; A360-F376 PolarHBondContact O-N 2.89Å; I362-F376 HydrophobicContact CD1-CB 3.23Å; I362-F376 HydrophobicContact CD1-CD1 3.42Å; I362-F376 VanDerWaalsContact CD1-CD1 3.42Å; I362-F376 HydrophobicContact CD1-CD2 4.42Å; I362-F376 HydrophobicContact CD1-CE1 4.35Å; I362-F376 HydrophobicContact CD1-CG 3.45Å; I362-F376 VanDerWaalsContact CD1-CG 3.45Å; I362-F376 HydrophobicContact CG1-CB 3.75Å; I362-F376 HydrophobicContact CG1-CG 4.47Å; F376-P378 HydrophobicContact CE1-CG 3.92Å; F376-P378 HydrophobicContact CZ-CG 4.37Å |
| 377 | R | 91.5 | Very high | 70.1 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | trans | -136.5 | 128.2 | 170.4 | -168.3 | 169.8 | -179.3 | -173.9 | 8.6 | 108.9 | E353 C354 L379 | E353-R377 HydrophobicContact CB-CG 4.34Å; E353-R377 WeakPolarHBondContact OE2-CD 3.43Å; E353-R377 IonicContact OE2-CZ 3.39Å; E353-R377 IonicContact OE2-NE 2.83Å; E353-R377 IonicContact OE2-NH1 2.65Å; E353-R377 PolarHBondContact OE2-NH1 3.22Å; C354-R377 PolarHBondContact O-NE 3.16Å; C354-R377 PolarHBondContact O-NH2 2.88Å; R377-L379 PolarHBondContact O-N 2.68Å | ||
| 378 | P | 94 | Very high | 68.8 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -58.2 | 139.1 | -179.9 | -25.8 | 34 | 0 | 0 | 0 | 112.3 | E113 T142 C354 M357 F376 Y380 | E113-P378 HydrophobicContact CB-CG 4.49Å; E113-P378 HydrophobicContact CG-CG 3.92Å; T142-P378 HydrophobicContact CG2-CB 4.14Å; T142-P378 WeakPolarHBondContact OG1-CA 3.34Å; C354-P378 WeakPolarHBondContact CB-O 3.39Å; C354-P378 PolarHBondContact N-O 3.06Å; M357-P378 HydrophobicContact SD-CG 4.45Å; F376-P378 HydrophobicContact CE1-CG 3.92Å; F376-P378 HydrophobicContact CZ-CG 4.37Å; P378-Y380 HydrophobicContact CB-CE2 4.09Å | ||
| 379 | L | 94.2 | Very high | 68 | Low | 38 Ų | 38 | 63 Ų | 63 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.6 | 173.4 | -61.1 | 174.7 | 0 | 0 | 0 | 110.1 | A17 T142 Y351 S352 E353 R377 | A17-L379 HydrophobicContact CB-CB 4.07Å; A17-L379 HydrophobicContact CB-CD1 4.34Å; T142-L379 WeakPolarHBondContact CG2-O 3.46Å; T142-L379 PolarHBondContact OG1-N 3.44Å; Y351-L379 HydrophobicContact CD1-CB 4.34Å; S352-L379 WeakPolarHBondContact O-CA 3.23Å; E353-L379 HydrophobicContact CB-CD2 4.44Å; E353-L379 HydrophobicContact CG-CD2 3.81Å; R377-L379 PolarHBondContact O-N 2.68Å |
| 380 | Y | 94.6 | Very high | 67.2 | Low | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.1 | 175.8 | -69 | -70 | 0 | 0 | 0 | 112.6 | S111 P267 Y351 S352 C354 P378 T382 | S111-Y380 PolarHBondContact O-OH 3.1Å; P267-Y380 WeakPolarHBondContact CA-OH 3.41Å; P267-Y380 HydrophobicContact CB-CE1 4.46Å; P267-Y380 HydrophobicContact CB-CE2 4.19Å; P267-Y380 VanDerWaalsContact CB-OH 3.25Å; P267-Y380 WeakPolarHBondContact CB-OH 3.46Å; Y351-Y380 WeakPolarHBondContact CA-O 3.47Å; S352-Y380 PolarHBondContact N-O 3.13Å; S352-Y380 VanDerWaalsContact N-O 3.12Å; S352-Y380 PolarHBondContact O-N 3.4Å; C354-Y380 HydrophobicContact CB-CD2 3.65Å; C354-Y380 HydrophobicContact CB-CE2 3.56Å; P378-Y380 HydrophobicContact CB-CE2 4.09Å; Y380-T382 PolarHBondContact O-N 2.85Å; Y380-T382 PolarHBondContact O-OG1 3.19Å |
| 381 | P | 93 | Very high | 66.5 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 129.4 | 175.3 | 29.1 | -36.7 | 0 | 0 | 0 | 109.6 | Y19 V144 P194 P349 S350 Y351 Y383 | Y19-P381 HydrophobicContact CE1-CG 4.48Å; Y19-P381 VanDerWaalsContact OH-CB 3.3Å; Y19-P381 WeakPolarHBondContact OH-CB 3.31Å; Y19-P381 VanDerWaalsContact OH-CG 3.3Å; Y19-P381 WeakPolarHBondContact OH-CG 3.37Å; V144-P381 HydrophobicContact CG1-CG 4.03Å; P194-P381 WeakPolarHBondContact CB-O 3.3Å; P349-P381 HydrophobicContact CB-CB 3.73Å; P349-P381 HydrophobicContact CG-CB 3.9Å; S350-P381 CarbonylContact O-C 3.59Å; S350-P381 WeakPolarHBondContact O-CA 3.33Å; Y351-P381 HydrophobicContact CE1-CB 4.36Å; P381-Y383 HydrophobicContact CB-CE2 4.1Å; P381-Y383 HydrophobicContact CG-CE2 4.49Å |
| 382 | T | 91.2 | Very high | 65.9 | Low | 22 Ų | 22 | 66.9 Ų | 66.9 | 14% | 0.135 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.6 | -178.9 | -52.6 | 0 | 0 | 0 | 0 | 108.2 | P194 S350 S352 Y380 | P194-T382 WeakPolarHBondContact O-CA 3.19Å; S350-T382 PolarHBondContact N-O 2.88Å; S350-T382 PolarHBondContact O-N 3.33Å; S350-T382 PolarHBondContact OG-O 2.86Å; S352-T382 PolarHBondContact OG-OG1 3.46Å; Y380-T382 PolarHBondContact O-N 2.85Å; Y380-T382 PolarHBondContact O-OG1 3.19Å |
| 383 | Y | 86.2 | Confident | 65.3 | Low | 17 Ų | 17 | 74 Ų | 74 | 7% | 0.067 | 42% | 0.419 | C | S | . | . | trans | -98.5 | 119.3 | -175 | -61.4 | -92.4 | 0 | 0 | 0 | 108.9 | Y19 V193 P194 G195 T306 P308 F344 P349 P381 T385 | Y19-Y383 PolarHBondContact OH-OH 2.74Å; V193-Y383 HydrophobicContact CB-CD2 3.8Å; V193-Y383 HydrophobicContact CB-CE2 4Å; V193-Y383 HydrophobicContact CG1-CE2 4.39Å; V193-Y383 HydrophobicContact CG2-CD2 3.41Å; V193-Y383 VanDerWaalsContact CG2-CD2 3.41Å; V193-Y383 HydrophobicContact CG2-CE2 4Å; V193-Y383 HydrophobicContact CG2-CG 4Å; P194-Y383 PolarHBondContact O-N 2.79Å; G195-Y383 CarbonylContact C-O 3.43Å; G195-Y383 VanDerWaalsContact C-O 3.29Å; G195-Y383 VanDerWaalsContact CA-O 3.28Å; G195-Y383 WeakPolarHBondContact CA-O 3.07Å; T306-Y383 PolarHBondContact O-OH 2.98Å; P308-Y383 HydrophobicContact CG-CD1 4.27Å; P308-Y383 HydrophobicContact CG-CE1 4.02Å; F344-Y383 HydrophobicContact CE1-CD1 4.42Å; F344-Y383 HydrophobicContact CE1-CE1 4.3Å; F344-Y383 HydrophobicContact CE2-CE1 4.46Å; F344-Y383 AromaticContact CZ-CD1 3.98Å; F344-Y383 HydrophobicContact CZ-CD1 3.98Å; F344-Y383 HydrophobicContact CZ-CE1 4.08Å; P349-Y383 HydrophobicContact CB-CD1 4.04Å; P349-Y383 HydrophobicContact CB-CE1 3.74Å; P349-Y383 HydrophobicContact CB-CE2 4.37Å; P349-Y383 HydrophobicContact CB-CG 4.48Å; P349-Y383 HydrophobicContact CG-CE1 4.11Å; P381-Y383 HydrophobicContact CB-CE2 4.1Å; P381-Y383 HydrophobicContact CG-CE2 4.49Å; Y383-T385 PolarHBondContact O-N 2.85Å; Y383-T385 VanDerWaalsContact O-N 3.12Å | ||
| 384 | A | 72.1 | Confident | 64.2 | Low | 75 Ų | 75 | 68 Ų | 68 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | trans | -66.5 | 114 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 385 | T | 63.1 | Low | 62.9 | Low | 31 Ų | 31 | 73.3 Ų | 73.3 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | trans | -94.1 | 114.9 | 175.4 | -38.4 | 0 | 0 | 0 | 0 | 108.4 | G195 E196 I312 Y383 V387 | G195-T385 PolarHBondContact O-OG1 2.83Å; E196-T385 WeakPolarHBondContact CA-OG1 3.5Å; I312-T385 HydrophobicContact CD1-CG2 3.91Å; Y383-T385 PolarHBondContact O-N 2.85Å; Y383-T385 VanDerWaalsContact O-N 3.12Å; T385-V387 HydrophobicContact CG2-CG2 3.34Å; T385-V387 PolarHBondContact O-N 3.33Å | ||
| 386 | L | 45.2 | Very low | 61 | Low | 139 Ų | 139 | 74.7 Ų | 74.7 | 73% | 0.728 | 45% | 0.45 | S | S | * | . | trans | -75.2 | 61 | 166.2 | -65.7 | 174.8 | 0 | 0 | 0 | 109.3 | A388 | L386-A388 VanDerWaalsContact C-N 3.34Å; L386-A388 PolarHBondContact O-N 3.18Å | ||
| 387 | V | 46 | Very low | 58.7 | Low | 75 Ų | 75 | 83.6 Ų | 83.6 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | trans | -74.2 | 97.9 | 165.3 | -172.1 | 0 | 0 | 0 | 0 | 106 | T385 | T385-V387 HydrophobicContact CG2-CG2 3.34Å; T385-V387 PolarHBondContact O-N 3.33Å | ||
| 388 | A | 34.3 | Very low | 56.1 | Low | 79 Ų | 79 | 90 Ų | 90 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 130 | 167 | 0 | 0 | 0 | 0 | 0 | 107.9 | L386 | L386-A388 VanDerWaalsContact C-N 3.34Å; L386-A388 PolarHBondContact O-N 3.18Å |
| 389 | P | 33.6 | Very low | 53.4 | Low | 113 Ų | 113 | 98.5 Ų | 98.5 | 73% | 0.734 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -56 | 141.9 | 176 | 21.6 | -30.5 | 0 | 0 | 0 | 109.2 | ||
| 390 | P | 34.7 | Very low | 51 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 60% | 0.604 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 140.9 | -177.5 | 20.8 | -31.2 | 0 | 0 | 0 | 109.9 | Q392 | P390-Q392 PolarHBondContact O-N 3.05Š|
| 391 | P | 35.5 | Very low | 48.9 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.5 | -178.3 | 21.4 | -30.7 | 0 | 0 | 0 | 108.7 | Q393 | P391-Q393 PolarHBondContact O-N 3.32Š|
| 392 | Q | 35.8 | Very low | 46.7 | Very low | 192 Ų | 192 | 123.7 Ų | 123.7 | 90% | 0.897 | 68% | 0.677 | S | S | * | * | trans | -52.2 | 114.4 | 173.4 | -71.1 | -177 | -4.2 | 0 | 0 | 107.3 | P390 G394 | P390-Q392 PolarHBondContact O-N 3.05Å; Q392-G394 PolarHBondContact O-N 3.47Å | ||
| 393 | Q | 36.8 | Very low | 44.3 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | trans | -57.5 | 113.9 | 173.7 | -76.3 | -179.4 | -8.3 | 0 | 0 | 107.1 | P391 | P391-Q393 PolarHBondContact O-N 3.32Š| ||
| 394 | G | 34 | Very low | 42 | Very low | 59 Ų | 59 | 135.3 Ų | 135.3 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 156.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q392 | Q392-G394 PolarHBondContact O-N 3.47Š|
| 395 | P | 37.7 | Very low | 40.2 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 149.5 | -169 | 24.3 | -32.8 | 0 | 0 | 0 | 111.8 | F397 | P395-F397 PolarHBondContact O-N 3.13Š|
| 396 | P | 41.4 | Very low | 38.8 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 132.1 | -171 | 22.7 | -32.6 | 0 | 0 | 0 | 111.2 | K398 | P396-K398 PolarHBondContact O-N 3.1Å; P396-K398 VanDerWaalsContact O-N 3.15Å |
| 397 | F | 36.9 | Very low | 38.4 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 116.3 | 173.4 | -123.3 | -98.8 | 0 | 0 | 0 | 109.3 | P395 E399 | P395-F397 PolarHBondContact O-N 3.13Å; F397-E399 PolarHBondContact O-N 2.77Å |
| 398 | K | 36.9 | Very low | 37.8 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -76.7 | 115.8 | 169.8 | -78.4 | -176.1 | 176.1 | 179.1 | 0 | 108 | P396 | P396-K398 PolarHBondContact O-N 3.1Å; P396-K398 VanDerWaalsContact O-N 3.15Å | ||
| 399 | E | 37.5 | Very low | 38.1 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -59.1 | 136.1 | 170.1 | -77.8 | 179.2 | 155.3 | 0 | 0 | 110.4 | F397 | F397-E399 PolarHBondContact O-N 2.77Š| ||
| 400 | P | 44.3 | Very low | 38.5 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -71.1 | 138.5 | 174.2 | 29.7 | -30.5 | 0 | 0 | 0 | 109.9 | ||||
| 401 | R | 50 | Low | 38.8 | Very low | 320 Ų | 320 | 166.4 Ų | 166.4 | 100% | 1.208 | 85% | 0.851 | S | S | * | * | trans | -59.8 | 0 | 179.2 | -78.7 | -175.2 | -176.7 | -179.8 | 0.4 | 113.9 |
Retrieved 401 of 401 residues in 1021 ms
(Link to these results)