| 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 | 21.5 | Very low | 53.6 | Low | 215 Ų | 215 | 112.4 Ų | 112.4 | 100% | 1.059 | 55% | 0.548 | S | S | * | . | 0 | 131.8 | 0 | -78 | 174.5 | -179.7 | 0 | 0 | 104.9 | D3 | M1-D3 PolarHBondContact O-N 3.32Š| |||
| 2 | H | 25.1 | Very low | 56.3 | Low | 162 Ų | 162 | 120.7 Ų | 120.7 | 75% | 0.75 | 57% | 0.569 | S | S | * | * | trans | -58.2 | 119.1 | -153.1 | -59.5 | -63.1 | 0 | 0 | 0 | 114.3 | ||||
| 3 | D | 28.6 | Very low | 58.5 | Low | 104 Ų | 104 | 123.1 Ų | 123.1 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | trans | -99.6 | 120.1 | -164.4 | -68.9 | -51.6 | 0 | 0 | 0 | 114.4 | M1 I5 | M1-D3 PolarHBondContact O-N 3.32Å; D3-I5 PolarHBondContact O-N 2.98Å | ||
| 4 | R | 43.3 | Very low | 60.2 | Low | 101 Ų | 101 | 119.3 Ų | 119.3 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 41.8 | -6 | 152.2 | -87.4 | -179.1 | -176.3 | 174.3 | -3.1 | 127.1 | E75 T146 | R4-E75 IonicContact CZ-OE1 3.53Å; R4-E75 VanDerWaalsContact CZ-OE1 3.24Å; R4-E75 IonicContact CZ-OE2 2.83Å; R4-E75 IonicContact NH1-OE1 3.44Å; R4-E75 PolarHBondContact NH1-OE1 2.8Å; R4-E75 IonicContact NH1-OE2 3.57Å; R4-E75 PolarHBondContact NH1-OE2 2.74Å; R4-E75 IonicContact NH2-OE1 2.79Å; R4-E75 PolarHBondContact NH2-OE1 2.97Å; R4-T146 HydrophobicContact CB-CG2 4.15Å; R4-T146 HydrophobicContact CG-CG2 3.75Å; R4-T146 VanDerWaalsContact N-CG2 3.29Å |
| 5 | I | 52.4 | Low | 62.2 | Low | 71 Ų | 71 | 115 Ų | 115 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 143.1 | 148.1 | -70.1 | -179.2 | 0 | 0 | 0 | 101.4 | D3 Y7 G8 | D3-I5 PolarHBondContact O-N 2.98Å; I5-Y7 PolarHBondContact O-N 2.73Å; I5-G8 PolarHBondContact O-N 3.16Å |
| 6 | S | 52.7 | Low | 64.2 | Low | 46 Ų | 46 | 110.5 Ų | 110.5 | 32% | 0.322 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 112.5 | -179.9 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | G8 | S6-G8 VanDerWaalsContact C-N 3.33Å; S6-G8 PolarHBondContact O-N 3.36Å |
| 7 | Y | 57.6 | Low | 66 | Low | 180 Ų | 180 | 104.8 Ų | 104.8 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 12.8 | -175.5 | -44.7 | -81.9 | 0 | 0 | 0 | 117.8 | I5 | I5-Y7 PolarHBondContact O-N 2.73Š|
| 8 | G | 67.7 | Low | 67.8 | Low | 27 Ų | 27 | 100 Ų | 100 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | trans | -81.6 | -175.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | I5 S6 | I5-G8 PolarHBondContact O-N 3.16Å; S6-G8 VanDerWaalsContact C-N 3.33Å; S6-G8 PolarHBondContact O-N 3.36Å | ||
| 9 | W | 74 | Confident | 69.2 | Low | 205 Ų | 205 | 95.3 Ų | 95.3 | 78% | 0.777 | 45% | 0.452 | S | S | * | . | trans | -130.3 | 152.6 | 173.3 | 60.5 | 82.6 | 0 | 0 | 0 | 111.1 | A11 F139 | W9-A11 PolarHBondContact O-N 3.42Å; W9-F139 HydrophobicContact CZ2-CE1 4.38Å | ||
| 10 | V | 80.9 | Confident | 70.6 | Confident | 91 Ų | 91 | 90.6 Ų | 90.6 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 127.3 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 11 | A | 86.2 | Confident | 71.6 | Confident | 34 Ų | 34 | 87.9 Ų | 87.9 | 28% | 0.281 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 157.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | W9 L16 H74 | W9-A11 PolarHBondContact O-N 3.42Å; A11-L16 HydrophobicContact CB-CD1 3.79Å; A11-L16 HydrophobicContact CB-CG 4.34Å; A11-H74 PolarHBondContact O-CE1 2.88Å |
| 12 | R | 86 | Confident | 75 | Confident | 212 Ų | 212 | 77.7 Ų | 77.7 | 80% | 0.8 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 147.3 | 172.6 | -67.6 | -179.3 | -178.5 | 176.4 | 1.2 | 108.7 | N14 S15 | R12-N14 PolarHBondContact O-N 3.38Å; R12-S15 PolarHBondContact N-OG 2.99Å; R12-S15 WeakPolarHBondContact O-CB 3.35Å; R12-S15 PolarHBondContact O-N 3.44Å; R12-S15 PolarHBondContact O-OG 3.16Å |
| 13 | R | 84.5 | Confident | 77.9 | Confident | 152 Ų | 152 | 71.2 Ų | 71.2 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 136.8 | 172.2 | -82.3 | -178.6 | -168.5 | -81.9 | -4.5 | 109.7 | S15 H74 E80 | R13-S15 PolarHBondContact O-N 2.92Å; R13-S15 VanDerWaalsContact O-N 3.07Å; R13-H74 HydrophobicContact CG-CB 4.27Å; R13-H74 VanDerWaalsContact CG-CD2 3.43Å; R13-H74 WeakPolarHBondContact CG-CD2 3.39Å; R13-E80 IonicContact CZ-OE1 3.55Å; R13-E80 IonicContact NH1-OE1 3.88Å; R13-E80 PolarHBondContact NH1-OE1 2.82Å; R13-E80 IonicContact NH1-OE2 4Å; R13-E80 IonicContact NH2-OE1 2.77Å |
| 14 | N | 82.6 | Confident | 80.4 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.2 | 179.2 | -49.5 | -6.6 | 0 | 0 | 0 | 114.9 | R12 L16 E119 | R12-N14 PolarHBondContact O-N 3.38Å; N14-L16 VanDerWaalsContact C-N 3.33Å; N14-L16 PolarHBondContact O-N 3.3Å; N14-E119 WeakPolarHBondContact OD1-CG 3.3Å |
| 15 | S | 90 | Very high | 81.4 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -78.2 | -17 | -178 | 71.6 | 0 | 0 | 0 | 0 | 114.1 | R12 R13 P17 | R12-S15 PolarHBondContact N-OG 2.99Å; R12-S15 WeakPolarHBondContact O-CB 3.35Å; R12-S15 PolarHBondContact O-N 3.44Å; R12-S15 PolarHBondContact O-OG 3.16Å; R13-S15 PolarHBondContact O-N 2.92Å; R13-S15 VanDerWaalsContact O-N 3.07Å; S15-P17 VanDerWaalsContact C-CD 3.45Å |
| 16 | L | 94.4 | Very high | 81.6 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | trans | -128 | 63.6 | -178.6 | -57.2 | 178.2 | 0 | 0 | 0 | 111 | A11 N14 W18 M19 A141 F161 | A11-L16 HydrophobicContact CB-CD1 3.79Å; A11-L16 HydrophobicContact CB-CG 4.34Å; N14-L16 VanDerWaalsContact C-N 3.33Å; N14-L16 PolarHBondContact O-N 3.3Å; L16-W18 HydrophobicContact CD2-CH2 4.25Å; L16-W18 HydrophobicContact CD2-CZ2 3.6Å; L16-W18 PolarHBondContact O-N 3.4Å; L16-W18 VanDerWaalsContact O-N 3.14Å; L16-M19 HydrophobicContact CB-CG 3.85Å; L16-M19 PolarHBondContact O-N 3.47Å; L16-A141 HydrophobicContact CD1-CB 3.63Å; L16-F161 HydrophobicContact CD1-CZ 4.16Å; L16-F161 HydrophobicContact CD2-CE2 3.6Å; L16-F161 HydrophobicContact CD2-CZ 3.48Å; L16-F161 VanDerWaalsContact CD2-CZ 3.48Å; L16-F161 HydrophobicContact CG-CZ 4.48Å | ||
| 17 | P | 95.4 | Very high | 81.2 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.9 | -168.6 | 32.8 | -40.2 | 0 | 0 | 0 | 114.7 | S15 E119 I120 S121 | S15-P17 VanDerWaalsContact C-CD 3.45Å; P17-E119 VanDerWaalsContact CA-O 3.29Å; P17-E119 WeakPolarHBondContact CA-O 3.49Å; P17-E119 WeakPolarHBondContact CB-O 3.27Å; P17-I120 WeakPolarHBondContact O-CA 3.35Å; P17-S121 CarbonylContact C-O 3.58Å; P17-S121 VanDerWaalsContact C-O 3.3Å; P17-S121 WeakPolarHBondContact CB-OG 2.87Å; P17-S121 WeakPolarHBondContact CG-OG 3.26Å; P17-S121 PolarHBondContact O-N 2.57Å |
| 18 | W | 96.8 | Very high | 80.6 | Confident | 19 Ų | 19 | 61 Ų | 61 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.4 | 176.6 | 47.7 | 81.5 | 0 | 0 | 0 | 113.6 | L16 A20 F35 L36 S121 I123 F161 Y168 | L16-W18 HydrophobicContact CD2-CH2 4.25Å; L16-W18 HydrophobicContact CD2-CZ2 3.6Å; L16-W18 PolarHBondContact O-N 3.4Å; L16-W18 VanDerWaalsContact O-N 3.14Å; W18-A20 PolarHBondContact O-N 2.8Å; W18-F35 CarbonylContact O-C 3.45Å; W18-F35 VanDerWaalsContact O-CA 3.23Å; W18-F35 WeakPolarHBondContact O-CA 3.48Å; W18-L36 PolarHBondContact O-N 2.85Å; W18-S121 WeakPolarHBondContact CA-O 3.38Å; W18-S121 VanDerWaalsContact CB-O 3.27Å; W18-S121 WeakPolarHBondContact CB-O 3.47Å; W18-S121 PolarHBondContact N-O 3.22Å; W18-S121 VanDerWaalsContact N-O 3.15Å; W18-I123 HydrophobicContact CB-CB 3.84Å; W18-I123 HydrophobicContact CB-CG2 4.19Å; W18-I123 HydrophobicContact CD2-CB 3.84Å; W18-I123 HydrophobicContact CD2-CD1 4.07Å; W18-I123 HydrophobicContact CD2-CG1 4.23Å; W18-I123 HydrophobicContact CE3-CB 4.19Å; W18-I123 HydrophobicContact CG-CB 3.67Å; W18-I123 HydrophobicContact CG-CD1 4.3Å; W18-I123 HydrophobicContact CG-CG1 4.45Å; W18-I123 HydrophobicContact CG-CG2 4.23Å; W18-I123 HydrophobicContact CZ2-CD1 4.16Å; W18-F161 AromaticContact CZ2-CD2 3.83Å; W18-F161 HydrophobicContact CZ2-CD2 3.83Å; W18-F161 AromaticContact CZ2-CE2 3.87Å; W18-F161 HydrophobicContact CZ2-CE2 3.87Å; W18-F161 HydrophobicContact CZ2-CG 4.41Å; W18-F161 HydrophobicContact CZ2-CZ 4.48Å; W18-Y168 HydrophobicContact CH2-CD1 4.44Å; W18-Y168 AromaticContact CH2-CD2 3.81Å; W18-Y168 HydrophobicContact CH2-CD2 3.81Å; W18-Y168 AromaticContact CH2-CG 3.72Å; W18-Y168 HydrophobicContact CH2-CG 3.72Å; W18-Y168 HydrophobicContact CZ2-CG 4.29Å; W18-Y168 HydrophobicContact CZ3-CD2 4.45Å |
| 19 | M | 95.8 | Very high | 79.9 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.2 | -174.2 | -68.2 | -65.6 | -64.6 | 0 | 0 | 111.5 | L16 A141 W143 P159 | L16-M19 HydrophobicContact CB-CG 3.85Å; L16-M19 PolarHBondContact O-N 3.47Å; M19-A141 HydrophobicContact CE-CB 4.19Å; M19-A141 WeakPolarHBondContact CE-O 3.33Å; M19-A141 HydrophobicContact SD-CB 4.23Å; M19-W143 HydrophobicContact CB-CH2 3.45Å; M19-W143 VanDerWaalsContact CB-CH2 3.45Å; M19-W143 HydrophobicContact CB-CZ2 4.28Å; M19-W143 HydrophobicContact CB-CZ3 4.02Å; M19-W143 HydrophobicContact CE-CE3 4.29Å; M19-W143 HydrophobicContact CE-CH2 4.26Å; M19-W143 HydrophobicContact CE-CZ3 3.79Å; M19-W143 HydrophobicContact CG-CH2 4.44Å; M19-P159 HydrophobicContact SD-CG 3.83Å |
| 20 | A | 96 | Very high | 79.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W18 A33 G34 V48 V69 L71 | W18-A20 PolarHBondContact O-N 2.8Å; A20-A33 CarbonylContact O-C 3.51Å; A20-G34 PolarHBondContact N-O 3.02Å; A20-G34 PolarHBondContact O-N 2.96Å; A20-V48 HydrophobicContact CB-CG1 3.85Å; A20-V48 HydrophobicContact CB-CG2 4.38Å; A20-V69 HydrophobicContact CB-CG1 4.05Å; A20-L71 HydrophobicContact CB-CD2 3.59Å; A20-L71 HydrophobicContact CB-CG 4.46Å |
| 21 | Y | 93 | Very high | 79.8 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 14% | 0.137 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.8 | 170.5 | -176.4 | -91.9 | 0 | 0 | 0 | 109 | L23 S31 V69 I70 M76 W143 | Y21-L23 HydrophobicContact CD1-CB 4.31Å; Y21-L23 HydrophobicContact CE1-CB 4.02Å; Y21-L23 HydrophobicContact CE1-CD1 4.3Å; Y21-S31 WeakPolarHBondContact OH-CB 3.5Å; Y21-S31 PolarHBondContact OH-OG 3.02Å; Y21-V69 CarbonylContact O-C 3.48Å; Y21-V69 WeakPolarHBondContact O-CA 3.26Å; Y21-I70 HydrophobicContact CD1-CD1 4.21Å; Y21-I70 PolarHBondContact N-O 2.66Å; Y21-I70 PolarHBondContact O-N 3.05Å; Y21-M76 HydrophobicContact CD1-CE 3.31Å; Y21-M76 HydrophobicContact CD1-SD 4.37Å; Y21-M76 HydrophobicContact CD2-CE 3.77Å; Y21-M76 HydrophobicContact CD2-CG 4.16Å; Y21-M76 HydrophobicContact CD2-SD 4.04Å; Y21-M76 HydrophobicContact CE1-CE 3.55Å; Y21-M76 HydrophobicContact CE2-CE 4Å; Y21-M76 HydrophobicContact CE2-CG 4.41Å; Y21-M76 HydrophobicContact CG-CE 3.39Å; Y21-M76 HydrophobicContact CG-SD 3.86Å; Y21-W143 HydrophobicContact CD2-CD2 4.49Å; Y21-W143 HydrophobicContact CD2-CE3 4.15Å |
| 22 | I | 92.7 | Very high | 80 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 99.6 | -179.5 | -57 | 170 | 0 | 0 | 0 | 106.9 | I24 S31 C32 V48 T50 H68 V69 L108 | I22-I24 HydrophobicContact CG2-CG1 4.19Å; I22-I24 PolarHBondContact O-N 2.83Å; I22-S31 WeakPolarHBondContact O-CA 3.41Å; I22-C32 WeakPolarHBondContact CA-O 3.35Å; I22-C32 HydrophobicContact CB-CB 4.33Å; I22-C32 WeakPolarHBondContact CB-O 3.28Å; I22-C32 PolarHBondContact N-O 2.83Å; I22-C32 PolarHBondContact O-N 2.98Å; I22-V48 HydrophobicContact CD1-CG1 4.44Å; I22-T50 HydrophobicContact CD1-CG2 3.63Å; I22-T50 WeakPolarHBondContact CD1-OG1 3.35Å; I22-H68 CarbonylContact C-O 3.59Å; I22-H68 WeakPolarHBondContact CA-O 3.45Å; I22-V69 HydrophobicContact CG1-CG2 4.42Å; I22-L108 HydrophobicContact CD1-CD1 3.75Å; I22-L108 HydrophobicContact CG1-CD1 4.25Å; I22-L108 HydrophobicContact CG2-CD1 4.4Å |
| 23 | L | 84.5 | Confident | 80.4 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 108 | 167.9 | -178 | 68 | 0 | 0 | 0 | 107.5 | Y21 V25 E29 H68 | Y21-L23 HydrophobicContact CD1-CB 4.31Å; Y21-L23 HydrophobicContact CE1-CB 4.02Å; Y21-L23 HydrophobicContact CE1-CD1 4.3Å; L23-V25 VanDerWaalsContact C-N 3.34Å; L23-V25 HydrophobicContact CD2-CG2 3.75Å; L23-V25 HydrophobicContact CG-CG2 3.95Å; L23-V25 PolarHBondContact O-N 2.85Å; L23-E29 HydrophobicContact CD1-CB 4.26Å; L23-E29 HydrophobicContact CD1-CG 4.12Å; L23-H68 HydrophobicContact CB-CB 4.23Å; L23-H68 PolarHBondContact N-O 3.36Å; L23-H68 PolarHBondContact O-N 3.04Å |
| 24 | I | 81.1 | Confident | 80.9 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 94.3 | 165 | -46.4 | 166.1 | 0 | 0 | 0 | 102.8 | I22 E26 M30 C32 C54 L62 L67 | I22-I24 HydrophobicContact CG2-CG1 4.19Å; I22-I24 PolarHBondContact O-N 2.83Å; I24-E26 HydrophobicContact CB-CG 4.26Å; I24-E26 HydrophobicContact CG2-CG 3.48Å; I24-E26 VanDerWaalsContact CG2-CG 3.48Å; I24-E26 PolarHBondContact O-N 2.74Å; I24-M30 CarbonylContact C-O 3.48Å; I24-M30 WeakPolarHBondContact CA-O 3.33Å; I24-M30 HydrophobicContact CB-CB 4.29Å; I24-M30 WeakPolarHBondContact CB-O 3.44Å; I24-M30 HydrophobicContact CD1-CB 4.22Å; I24-M30 PolarHBondContact N-O 3.48Å; I24-C32 HydrophobicContact CD1-CB 4.5Å; I24-C54 HydrophobicContact CD1-CB 4.29Å; I24-C54 WeakPolarHBondContact CD1-O 3.48Å; I24-L62 HydrophobicContact CG2-CD1 3.37Å; I24-L67 HydrophobicContact CB-CD2 4.45Å; I24-L67 HydrophobicContact CG1-CD2 4.12Å; I24-L67 HydrophobicContact CG2-CD2 4Å |
| 25 | V | 65.2 | Low | 81.6 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 35% | 0.345 | 18% | 0.183 | S | C | . | . | trans | -61.6 | 98.8 | 171 | 168.6 | 0 | 0 | 0 | 0 | 102.4 | L23 R66 H68 R520 | L23-V25 VanDerWaalsContact C-N 3.34Å; L23-V25 HydrophobicContact CD2-CG2 3.75Å; L23-V25 HydrophobicContact CG-CG2 3.95Å; L23-V25 PolarHBondContact O-N 2.85Å; V25-R66 PolarHBondContact N-O 3.42Å; V25-H68 WeakPolarHBondContact CG2-CD2 3.18Å; V25-R520 PolarHBondContact O-NH1 2.83Å; V25-R520 PolarHBondContact O-NH2 2.86Å | ||
| 26 | E | 56.8 | Low | 82 | Confident | 58 Ų | 58 | 33.2 Ų | 33.2 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -110.1 | -153.6 | 163.7 | -47.5 | -129.1 | 91.3 | 0 | 0 | 108.2 | I24 E28 L62 R66 R520 | I24-E26 HydrophobicContact CB-CG 4.26Å; I24-E26 HydrophobicContact CG2-CG 3.48Å; I24-E26 VanDerWaalsContact CG2-CG 3.48Å; I24-E26 PolarHBondContact O-N 2.74Å; E26-E28 WeakPolarHBondContact CB-O 3.32Å; E26-L62 WeakPolarHBondContact OE1-CD2 3.13Å; E26-R66 IonicContact OE1-CZ 3.22Å; E26-R66 IonicContact OE1-NH2 3.09Å; E26-R66 PolarHBondContact OE1-NH2 2.89Å; E26-R520 VanDerWaalsContact CA-CZ 3.4Å; E26-R520 VanDerWaalsContact CA-NH2 3.26Å; E26-R520 IonicContact OE1-CZ 2.83Å; E26-R520 IonicContact OE1-NE 2.93Å; E26-R520 IonicContact OE1-NH2 3.82Å; E26-R520 PolarHBondContact OE1-NH2 3.04Å |
| 27 | E | 44 | Very low | 82 | Confident | 54 Ų | 54 | 31.1 Ų | 31.1 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -79.2 | -54.8 | 176.3 | -68 | -177.2 | 163 | 0 | 0 | 108.2 | Y498 R520 | E27-Y498 HydrophobicContact CB-CD1 3.13Å; E27-Y498 HydrophobicContact CB-CD2 3.74Å; E27-Y498 HydrophobicContact CB-CE1 3.48Å; E27-Y498 VanDerWaalsContact CB-CE1 3.48Å; E27-Y498 HydrophobicContact CB-CE2 4.03Å; E27-Y498 HydrophobicContact CB-CG 3.28Å; E27-Y498 HydrophobicContact CG-CD1 3.2Å; E27-Y498 HydrophobicContact CG-CD2 4.39Å; E27-Y498 HydrophobicContact CG-CE1 3.97Å; E27-Y498 HydrophobicContact CG-CG 3.47Å; E27-Y498 VanDerWaalsContact CG-CG 3.47Å; E27-Y498 WeakPolarHBondContact O-CE1 3.29Å; E27-Y498 PolarHBondContact O-OH 3.16Å; E27-Y498 WeakPolarHBondContact OE1-CA 3.29Å; E27-Y498 VanDerWaalsContact OE1-CB 3.31Å; E27-Y498 WeakPolarHBondContact OE1-CB 3.42Å; E27-Y498 VanDerWaalsContact OE2-CB 3.25Å; E27-Y498 WeakPolarHBondContact OE2-CB 3.27Å; E27-R520 HydrophobicContact CG-CG 3.95Å; E27-R520 WeakPolarHBondContact OE1-CA 3.26Å; E27-R520 PolarHBondContact OE1-N 3.25Å |
| 28 | E | 46.1 | Very low | 81.7 | Confident | 116 Ų | 116 | 34 Ų | 34 | 54% | 0.542 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -80.6 | 134.8 | 154.9 | -66 | -170.3 | 162.5 | 0 | 0 | 109.8 | E26 M30 | E26-E28 WeakPolarHBondContact CB-O 3.32Å; E28-M30 VanDerWaalsContact C-N 3.27Å; E28-M30 PolarHBondContact O-N 3.07Å |
| 29 | E | 51.3 | Low | 81.1 | Confident | 151 Ų | 151 | 34.8 Ų | 34.8 | 71% | 0.706 | 17% | 0.174 | S | C | * | . | trans | -62.7 | 92.5 | 170 | -77.1 | -170.9 | 161.7 | 0 | 0 | 109.3 | L23 | L23-E29 HydrophobicContact CD1-CB 4.26Å; L23-E29 HydrophobicContact CD1-CG 4.12Å | ||
| 30 | M | 71.1 | Confident | 80.1 | Confident | 77 Ų | 77 | 37.4 Ų | 37.4 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135.9 | 166.2 | -70.1 | -169.5 | 70.6 | 0 | 0 | 108.3 | I24 E28 | I24-M30 CarbonylContact C-O 3.48Å; I24-M30 WeakPolarHBondContact CA-O 3.33Å; I24-M30 HydrophobicContact CB-CB 4.29Å; I24-M30 WeakPolarHBondContact CB-O 3.44Å; I24-M30 HydrophobicContact CD1-CB 4.22Å; I24-M30 PolarHBondContact N-O 3.48Å; E28-M30 VanDerWaalsContact C-N 3.27Å; E28-M30 PolarHBondContact O-N 3.07Å |
| 31 | S | 82.4 | Confident | 79 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 19% | 0.189 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.2 | 174.5 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | Y21 I22 G154 | Y21-S31 WeakPolarHBondContact OH-CB 3.5Å; Y21-S31 PolarHBondContact OH-OG 3.02Å; I22-S31 WeakPolarHBondContact O-CA 3.41Å; S31-G154 VanDerWaalsContact O-CA 3.26Å; S31-G154 WeakPolarHBondContact O-CA 3.34Å |
| 32 | C | 91.4 | Very high | 78.4 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 163.6 | 165.5 | -77.7 | 0 | 0 | 0 | 0 | 109.6 | I22 I24 C54 G154 S156 | I22-C32 WeakPolarHBondContact CA-O 3.35Å; I22-C32 HydrophobicContact CB-CB 4.33Å; I22-C32 WeakPolarHBondContact CB-O 3.28Å; I22-C32 PolarHBondContact N-O 2.83Å; I22-C32 PolarHBondContact O-N 2.98Å; I24-C32 HydrophobicContact CD1-CB 4.5Å; C32-C54 HydrophobicContact CB-CB 3.76Å; C32-C54 WeakPolarHBondContact CB-SG 3.47Å; C32-C54 WeakPolarHBondContact SG-CB 3.46Å; C32-C54 CovalentContact SG-SG 2.03Å; C32-C54 PolarHBondContact SG-SG 3.47Å; C32-G154 CarbonylContact C-O 3.58Å; C32-S156 WeakPolarHBondContact CB-O 3.44Å |
| 33 | A | 92.6 | Very high | 78.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 161.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A20 T50 G154 S156 G157 | A20-A33 CarbonylContact O-C 3.51Å; A33-T50 PolarHBondContact O-OG1 3.19Å; A33-G154 PolarHBondContact N-O 2.92Å; A33-S156 PolarHBondContact N-O 3Å; A33-S156 VanDerWaalsContact O-O 3.12Å; A33-G157 CarbonylContact O-C 3.6Å; A33-G157 VanDerWaalsContact O-C 3.31Å; A33-G157 WeakPolarHBondContact O-CA 3.25Å |
| 34 | G | 95.7 | Very high | 78.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | -175.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | A20 I49 | A20-G34 PolarHBondContact N-O 3.02Å; A20-G34 PolarHBondContact O-N 2.96Å; G34-I49 CarbonylContact C-O 3.46Å; G34-I49 WeakPolarHBondContact CA-O 3.38Å |
| 35 | F | 97.5 | Very high | 79 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.8 | 177.4 | 52.2 | -84.3 | 0 | 0 | 0 | 112.6 | W18 V37 V48 I49 I123 P159 A170 V173 M194 | W18-F35 CarbonylContact O-C 3.45Å; W18-F35 VanDerWaalsContact O-CA 3.23Å; W18-F35 WeakPolarHBondContact O-CA 3.48Å; F35-V37 HydrophobicContact CD2-CG1 3.75Å; F35-V37 HydrophobicContact CE2-CG1 3.82Å; F35-V48 WeakPolarHBondContact O-CA 3.4Å; F35-I49 HydrophobicContact CD2-CB 4.41Å; F35-I49 HydrophobicContact CE1-CB 4.27Å; F35-I49 HydrophobicContact CE1-CG2 4.21Å; F35-I49 HydrophobicContact CE2-CB 3.89Å; F35-I49 HydrophobicContact CE2-CD1 4.28Å; F35-I49 HydrophobicContact CE2-CG1 4.49Å; F35-I49 HydrophobicContact CE2-CG2 4.29Å; F35-I49 HydrophobicContact CZ-CB 3.82Å; F35-I49 HydrophobicContact CZ-CG2 3.76Å; F35-I49 PolarHBondContact N-O 2.88Å; F35-I49 PolarHBondContact O-N 3.11Å; F35-I123 HydrophobicContact CB-CG2 4.4Å; F35-I123 HydrophobicContact CD2-CG2 3.58Å; F35-I123 HydrophobicContact CE2-CG2 4.29Å; F35-I123 HydrophobicContact CG-CG2 4.35Å; F35-P159 HydrophobicContact CB-CB 4.4Å; F35-P159 HydrophobicContact CB-CG 4.01Å; F35-P159 HydrophobicContact CD1-CB 3.52Å; F35-P159 HydrophobicContact CD1-CG 3.8Å; F35-P159 HydrophobicContact CE1-CB 3.8Å; F35-P159 HydrophobicContact CG-CB 3.89Å; F35-P159 HydrophobicContact CG-CG 4.04Å; F35-P159 HydrophobicContact CZ-CB 4.4Å; F35-A170 HydrophobicContact CD2-CB 4.08Å; F35-A170 HydrophobicContact CE2-CB 3.6Å; F35-A170 HydrophobicContact CZ-CB 4.02Å; F35-V173 HydrophobicContact CE1-CG2 3.95Å; F35-V173 HydrophobicContact CZ-CG2 3.9Å; F35-M194 HydrophobicContact CE2-CE 4.06Å; F35-M194 HydrophobicContact CZ-CE 3.93Å; F35-M194 HydrophobicContact CZ-SD 4.34Å |
| 36 | L | 97.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129.7 | 177.5 | -171 | 75 | 0 | 0 | 0 | 109.9 | W18 I47 V48 L71 Y116 I120 P122 I123 | W18-L36 PolarHBondContact O-N 2.85Å; L36-I47 WeakPolarHBondContact CD1-O 3.38Å; L36-V48 HydrophobicContact CD1-CG2 3.99Å; L36-L71 HydrophobicContact CB-CD2 4.16Å; L36-L71 HydrophobicContact CD1-CD1 4.3Å; L36-Y116 HydrophobicContact CD2-CE1 4.48Å; L36-I120 HydrophobicContact CD2-CG2 3.86Å; L36-P122 HydrophobicContact CD2-CB 4.42Å; L36-P122 HydrophobicContact CG-CB 4.31Å; L36-P122 VanDerWaalsContact O-CA 3.25Å; L36-P122 WeakPolarHBondContact O-CA 3.34Å; L36-I123 PolarHBondContact O-N 2.96Å |
| 37 | V | 95.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 149.9 | 175.7 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | F35 S45 I47 I49 P122 I123 L125 M205 | F35-V37 HydrophobicContact CD2-CG1 3.75Å; F35-V37 HydrophobicContact CE2-CG1 3.82Å; V37-S45 WeakPolarHBondContact O-CB 3.34Å; V37-S45 PolarHBondContact O-OG 3.49Å; V37-I47 HydrophobicContact CG2-CB 3.92Å; V37-I47 HydrophobicContact CG2-CG2 3.59Å; V37-I47 PolarHBondContact N-O 3.15Å; V37-I47 VanDerWaalsContact N-O 3.09Å; V37-I49 HydrophobicContact CG1-CD1 3.85Å; V37-I49 HydrophobicContact CG1-CG1 4.2Å; V37-I49 HydrophobicContact CG2-CD1 4.04Å; V37-I49 HydrophobicContact CG2-CG1 4.09Å; V37-P122 VanDerWaalsContact C-CB 3.49Å; V37-I123 HydrophobicContact CG1-CG2 4.34Å; V37-L125 HydrophobicContact CB-CD2 4.34Å; V37-L125 HydrophobicContact CG1-CD2 3.87Å; V37-L125 HydrophobicContact CG1-CG 4.48Å; V37-M205 HydrophobicContact CG2-CE 4.15Å |
| 38 | D | 89.9 | Confident | 84.7 | Confident | 74 Ų | 74 | 40.9 Ų | 40.9 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | trans | -73.6 | 130.4 | 178.7 | -172 | 8.4 | 0 | 0 | 0 | 110 | G40 Y116 P122 M205 | D38-G40 PolarHBondContact OD1-N 3Å; D38-Y116 PolarHBondContact OD1-OH 2.96Å; D38-P122 HydrophobicContact CB-CB 4.03Å; D38-P122 HydrophobicContact CB-CG 3.78Å; D38-P122 VanDerWaalsContact N-CB 3.29Å; D38-M205 WeakPolarHBondContact O-CE 3.47Å | ||
| 39 | N | 83 | Confident | 87.1 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | trans | -100.1 | 7.9 | 176.8 | 71.6 | 3.2 | 0 | 0 | 0 | 113.4 | S41 Q44 D46 I47 M205 | N39-S41 VanDerWaalsContact C-N 3.29Å; N39-S41 VanDerWaalsContact CG-OG 3.27Å; N39-S41 PolarHBondContact ND2-OG 3.11Å; N39-S41 PolarHBondContact O-N 2.92Å; N39-S41 WeakPolarHBondContact OD1-CB 3.33Å; N39-S41 PolarHBondContact OD1-N 2.92Å; N39-S41 PolarHBondContact OD1-OG 2.69Å; N39-Q44 PolarHBondContact OD1-O 3.27Å; N39-D46 PolarHBondContact ND2-OD1 3.22Å; N39-I47 HydrophobicContact CB-CG1 3.89Å; N39-M205 HydrophobicContact CB-CE 3.38Å | ||
| 40 | G | 76 | Confident | 89.2 | Confident | 66 Ų | 66 | 28.1 Ų | 28.1 | 68% | 0.68 | 18% | 0.182 | S | C | * | . | S | Bend | trans | 78.8 | 8.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D38 G42 | D38-G40 PolarHBondContact OD1-N 3Å; G40-G42 PolarHBondContact O-N 2.77Å |
| 41 | S | 72.8 | Confident | 90.2 | Very high | 64 Ų | 64 | 24.5 Ų | 24.5 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -83.1 | 17.9 | -177.7 | -54.6 | 0 | 0 | 0 | 0 | 114.3 | N39 | N39-S41 VanDerWaalsContact C-N 3.29Å; N39-S41 VanDerWaalsContact CG-OG 3.27Å; N39-S41 PolarHBondContact ND2-OG 3.11Å; N39-S41 PolarHBondContact O-N 2.92Å; N39-S41 WeakPolarHBondContact OD1-CB 3.33Å; N39-S41 PolarHBondContact OD1-N 2.92Å; N39-S41 PolarHBondContact OD1-OG 2.69Å |
| 42 | G | 78.9 | Confident | 90.5 | Very high | 52 Ų | 52 | 23.2 Ų | 23.2 | 54% | 0.536 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 91 | -125.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G40 Q44 Y116 | G40-G42 PolarHBondContact O-N 2.77Å; G42-Q44 VanDerWaalsContact C-N 3.29Å; G42-Q44 PolarHBondContact O-N 2.89Å; G42-Y116 WeakPolarHBondContact O-CE2 3.43Å |
| 43 | N | 87.7 | Confident | 90.3 | Very high | 111 Ų | 111 | 26.1 Ų | 26.1 | 59% | 0.594 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -91.1 | 26.5 | -175 | 68.7 | -24.9 | 0 | 0 | 0 | 114 | Y116 | N43-Y116 HydrophobicContact CB-CD2 4.37Å; N43-Y116 PolarHBondContact O-N 2.76Å |
| 44 | Q | 91.3 | Very high | 90 | Very high | 64 Ų | 64 | 26.5 Ų | 26.5 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 150.9 | -179.5 | 61.9 | 179.8 | -2.7 | 0 | 0 | 110.8 | N39 G42 P113 V114 Y116 | N39-Q44 PolarHBondContact OD1-O 3.27Å; G42-Q44 VanDerWaalsContact C-N 3.29Å; G42-Q44 PolarHBondContact O-N 2.89Å; Q44-P113 HydrophobicContact CB-CB 4.04Å; Q44-P113 HydrophobicContact CG-CB 4.03Å; Q44-V114 CarbonylContact C-O 3.51Å; Q44-V114 WeakPolarHBondContact CA-O 3.35Å; Q44-V114 WeakPolarHBondContact CB-O 3.36Å; Q44-Y116 VanDerWaalsContact C-CZ 3.49Å; Q44-Y116 PolarHBondContact O-OH 2.96Å |
| 45 | S | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.4 | 173 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | V37 I47 P113 V114 Y116 | V37-S45 WeakPolarHBondContact O-CB 3.34Å; V37-S45 PolarHBondContact O-OG 3.49Å; S45-I47 PolarHBondContact OG-N 3.23Å; S45-P113 CarbonylContact O-C 3.59Å; S45-P113 WeakPolarHBondContact O-CA 3.3Å; S45-V114 PolarHBondContact N-O 2.77Å; S45-V114 PolarHBondContact O-N 3.33Å; S45-Y116 WeakPolarHBondContact CB-OH 3.48Å |
| 46 | D | 92.7 | Very high | 88 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 19 | 174.6 | 60 | 10.9 | 0 | 0 | 0 | 113.3 | N39 K109 L110 P113 | N39-D46 PolarHBondContact ND2-OD1 3.22Å; D46-K109 HydrophobicContact CB-CD 4.47Å; D46-K109 VanDerWaalsContact CG-CE 3.44Å; D46-K109 IonicContact OD1-NZ 3.3Å; D46-K109 PolarHBondContact OD1-NZ 2.91Å; D46-K109 WeakPolarHBondContact OD2-CE 3.49Å; D46-K109 IonicContact OD2-NZ 3.85Å; D46-K109 PolarHBondContact OD2-NZ 3.16Å; D46-L110 HydrophobicContact CB-CB 4.1Å; D46-L110 WeakPolarHBondContact O-CG 3.42Å; D46-L110 PolarHBondContact O-N 2.89Å; D46-P113 HydrophobicContact CB-CB 4.24Å; D46-P113 HydrophobicContact CB-CG 4.09Å |
| 47 | I | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.9 | -178.5 | -55.1 | -63.4 | 0 | 0 | 0 | 110.4 | L36 V37 N39 S45 L107 L108 K109 M205 I208 | L36-I47 WeakPolarHBondContact CD1-O 3.38Å; V37-I47 HydrophobicContact CG2-CB 3.92Å; V37-I47 HydrophobicContact CG2-CG2 3.59Å; V37-I47 PolarHBondContact N-O 3.15Å; V37-I47 VanDerWaalsContact N-O 3.09Å; N39-I47 HydrophobicContact CB-CG1 3.89Å; S45-I47 PolarHBondContact OG-N 3.23Å; I47-L107 HydrophobicContact CG2-CD2 4.32Å; I47-L107 HydrophobicContact CG2-CG 4.24Å; I47-L108 WeakPolarHBondContact CA-O 3.38Å; I47-K109 HydrophobicContact CD1-CD 3.49Å; I47-K109 VanDerWaalsContact CD1-CD 3.49Å; I47-M205 HydrophobicContact CB-CE 4.02Å; I47-M205 HydrophobicContact CG1-CE 3.8Å; I47-M205 HydrophobicContact CG1-CG 4.21Å; I47-M205 HydrophobicContact CG2-CE 4.1Å; I47-M205 HydrophobicContact CG2-CG 4.08Å; I47-M205 HydrophobicContact CG2-SD 4.44Å; I47-I208 HydrophobicContact CD1-CG2 4.25Å |
| 48 | V | 97 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.5 | 172.8 | 172.3 | 0 | 0 | 0 | 0 | 109.1 | A20 I22 F35 L36 V69 L108 L110 | A20-V48 HydrophobicContact CB-CG1 3.85Å; A20-V48 HydrophobicContact CB-CG2 4.38Å; I22-V48 HydrophobicContact CD1-CG1 4.44Å; F35-V48 WeakPolarHBondContact O-CA 3.4Å; L36-V48 HydrophobicContact CD1-CG2 3.99Å; V48-V69 HydrophobicContact CG2-CG1 4.2Å; V48-L108 HydrophobicContact CB-CB 4.27Å; V48-L108 PolarHBondContact N-O 2.78Å; V48-L108 PolarHBondContact O-N 2.83Å; V48-L110 HydrophobicContact CG2-CD1 4.2Å; V48-L110 HydrophobicContact CG2-CD2 4.24Å; V48-L110 HydrophobicContact CG2-CG 4.4Å |
| 49 | I | 97 | Very high | 82.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.6 | 175.5 | -60.8 | -176.7 | 0 | 0 | 0 | 109.3 | G34 F35 V37 I105 L107 L125 V173 M194 I201 | G34-I49 CarbonylContact C-O 3.46Å; G34-I49 WeakPolarHBondContact CA-O 3.38Å; F35-I49 HydrophobicContact CD2-CB 4.41Å; F35-I49 HydrophobicContact CE1-CB 4.27Å; F35-I49 HydrophobicContact CE1-CG2 4.21Å; F35-I49 HydrophobicContact CE2-CB 3.89Å; F35-I49 HydrophobicContact CE2-CD1 4.28Å; F35-I49 HydrophobicContact CE2-CG1 4.49Å; F35-I49 HydrophobicContact CE2-CG2 4.29Å; F35-I49 HydrophobicContact CZ-CB 3.82Å; F35-I49 HydrophobicContact CZ-CG2 3.76Å; F35-I49 PolarHBondContact N-O 2.88Å; F35-I49 PolarHBondContact O-N 3.11Å; V37-I49 HydrophobicContact CG1-CD1 3.85Å; V37-I49 HydrophobicContact CG1-CG1 4.2Å; V37-I49 HydrophobicContact CG2-CD1 4.04Å; V37-I49 HydrophobicContact CG2-CG1 4.09Å; I49-I105 HydrophobicContact CG2-CD1 4.02Å; I49-I105 HydrophobicContact CG2-CG1 3.9Å; I49-L107 HydrophobicContact CD1-CD1 4.22Å; I49-L107 HydrophobicContact CG1-CD1 3.99Å; I49-L107 HydrophobicContact CG1-CG 4.12Å; I49-L125 HydrophobicContact CD1-CD2 4.1Å; I49-V173 HydrophobicContact CG2-CG2 4Å; I49-M194 HydrophobicContact CD1-CE 3.7Å; I49-M194 HydrophobicContact CG2-CE 4.42Å; I49-I201 HydrophobicContact CD1-CD1 4.06Å; I49-I201 HydrophobicContact CD1-CG1 4.37Å; I49-I201 HydrophobicContact CD1-CG2 4.14Å |
| 50 | T | 95.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | -177.8 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | I22 A33 I55 T106 L108 | I22-T50 HydrophobicContact CD1-CG2 3.63Å; I22-T50 WeakPolarHBondContact CD1-OG1 3.35Å; A33-T50 PolarHBondContact O-OG1 3.19Å; T50-I55 HydrophobicContact CG2-CD1 3.54Å; T50-T106 PolarHBondContact N-O 2.79Å; T50-T106 PolarHBondContact O-N 3.31Å; T50-L108 HydrophobicContact CG2-CD1 4.08Å; T50-L108 HydrophobicContact CG2-CG 4.16Å |
| 51 | A | 91.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -77.4 | 148.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C54 V173 | A51-C54 WeakPolarHBondContact O-CB 3.36Å; A51-V173 HydrophobicContact CB-CG1 4.43Å | ||
| 52 | T | 89.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -70.6 | -38 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 112 | C54 I55 A56 T93 Y96 D104 I105 T106 | T52-C54 PolarHBondContact O-N 3.08Å; T52-I55 PolarHBondContact O-N 3.36Å; T52-A56 HydrophobicContact CG2-CB 3.83Å; T52-A56 PolarHBondContact O-N 3.27Å; T52-T93 HydrophobicContact CG2-CG2 4.07Å; T52-Y96 HydrophobicContact CG2-CD1 3.89Å; T52-Y96 HydrophobicContact CG2-CG 3.8Å; T52-D104 WeakPolarHBondContact CA-OD1 3.28Å; T52-D104 WeakPolarHBondContact CB-OD1 3.36Å; T52-D104 PolarHBondContact N-OD1 3.1Å; T52-I105 PolarHBondContact OG1-N 2.98Å; T52-I105 PolarHBondContact OG1-O 3.34Å; T52-T106 VanDerWaalsContact CA-OG1 3.28Å; T52-T106 WeakPolarHBondContact CA-OG1 3.04Å; T52-T106 WeakPolarHBondContact CB-OG1 3.19Å; T52-T106 PolarHBondContact OG1-OG1 2.86Å |
| 53 | H | 85.9 | Confident | 81.1 | Confident | 68 Ų | 68 | 42.3 Ų | 42.3 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.9 | 179.5 | 77 | -102.2 | 0 | 0 | 0 | 113.3 | I55 Y96 D104 S156 S175 | H53-I55 VanDerWaalsContact C-N 3.25Å; H53-I55 PolarHBondContact O-N 3.34Å; H53-Y96 HydrophobicContact CB-CE1 4.46Å; H53-D104 IonicContact CE1-OD2 3.17Å; H53-D104 IonicContact CG-OD1 2.9Å; H53-D104 IonicContact CG-OD2 2.97Å; H53-D104 PolarHBondContact N-OD1 2.92Å; H53-D104 IonicContact ND1-OD1 2.78Å; H53-D104 PolarHBondContact ND1-OD1 2.95Å; H53-D104 IonicContact ND1-OD2 3.5Å; H53-D104 PolarHBondContact ND1-OD2 2.98Å; H53-S156 VanDerWaalsContact CE1-CB 3.49Å; H53-S156 WeakPolarHBondContact CE1-CB 3.5Å; H53-S156 PolarHBondContact CE1-OG 2.61Å; H53-S156 WeakPolarHBondContact NE2-CB 3.42Å; H53-S156 PolarHBondContact NE2-OG 2.95Å; H53-S175 PolarHBondContact CE1-O 2.83Å |
| 54 | C | 86.3 | Confident | 80.8 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.054 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.9 | 171.9 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | I24 C32 A51 T52 | I24-C54 HydrophobicContact CD1-CB 4.29Å; I24-C54 WeakPolarHBondContact CD1-O 3.48Å; C32-C54 HydrophobicContact CB-CB 3.76Å; C32-C54 WeakPolarHBondContact CB-SG 3.47Å; C32-C54 WeakPolarHBondContact SG-CB 3.46Å; C32-C54 CovalentContact SG-SG 2.03Å; C32-C54 PolarHBondContact SG-SG 3.47Å; A51-C54 WeakPolarHBondContact O-CB 3.36Å; T52-C54 PolarHBondContact O-N 3.08Å |
| 55 | I | 81.7 | Confident | 80.1 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -27.4 | -168.1 | -61.2 | 157.2 | 0 | 0 | 0 | 112 | T50 T52 H53 L62 L67 Y91 T106 L108 | T50-I55 HydrophobicContact CG2-CD1 3.54Å; T52-I55 PolarHBondContact O-N 3.36Å; H53-I55 VanDerWaalsContact C-N 3.25Å; H53-I55 PolarHBondContact O-N 3.34Å; I55-L62 HydrophobicContact CG2-CB 4.5Å; I55-L62 WeakPolarHBondContact O-CG 3.31Å; I55-L62 PolarHBondContact O-N 3.05Å; I55-L67 HydrophobicContact CD1-CD1 4.43Å; I55-L67 HydrophobicContact CG1-CD1 4.06Å; I55-L67 HydrophobicContact CG1-CD2 4.28Å; I55-L67 HydrophobicContact CG2-CD1 3.91Å; I55-Y91 HydrophobicContact CG2-CD1 4.11Å; I55-Y91 HydrophobicContact CG2-CD2 3.99Å; I55-Y91 HydrophobicContact CG2-CE1 3.87Å; I55-Y91 HydrophobicContact CG2-CE2 3.76Å; I55-Y91 HydrophobicContact CG2-CG 4.17Å; I55-T106 HydrophobicContact CD1-CG2 3.44Å; I55-T106 VanDerWaalsContact CD1-CG2 3.44Å; I55-L108 HydrophobicContact CD1-CD1 4.49Å; I55-L108 HydrophobicContact CD1-CD2 3.48Å; I55-L108 VanDerWaalsContact CD1-CD2 3.48Å; I55-L108 HydrophobicContact CD1-CG 4.22Å |
| 56 | A | 71.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -131.7 | 130.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T52 N61 Y98 | T52-A56 HydrophobicContact CG2-CB 3.83Å; T52-A56 PolarHBondContact O-N 3.27Å; A56-N61 WeakPolarHBondContact CB-OD1 3.35Å; A56-Y98 VanDerWaalsContact C-OH 3.26Å; A56-Y98 WeakPolarHBondContact CB-OH 3.46Å; A56-Y98 PolarHBondContact O-OH 3.44Å |
| 57 | S | 64.7 | Low | 79 | Confident | 52 Ų | 52 | 41.7 Ų | 41.7 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | trans | -114.7 | 168.8 | 174.3 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | T59 E60 Y98 | S57-T59 PolarHBondContact O-N 2.81Å; S57-T59 PolarHBondContact OG-N 2.78Å; S57-T59 PolarHBondContact OG-OG1 2.74Å; S57-E60 PolarHBondContact N-O 2.83Å; S57-E60 PolarHBondContact OG-N 2.88Å; S57-E60 PolarHBondContact OG-O 3.49Å; S57-Y98 VanDerWaalsContact C-OH 3.24Å; S57-Y98 PolarHBondContact N-OH 2.88Å; S57-Y98 PolarHBondContact O-OH 3.21Å | ||
| 58 | R | 52.3 | Low | 78.7 | Confident | 164 Ų | 164 | 42.7 Ų | 42.7 | 62% | 0.619 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -55 | -25.8 | 176.3 | -77.5 | -173.3 | -174.3 | -138.8 | -4.7 | 113.2 | Y98 D99 | R58-Y98 HydrophobicContact CB-CD1 4.43Å; R58-Y98 HydrophobicContact CB-CG 4.48Å; R58-Y98 HydrophobicContact CG-CD1 3.54Å; R58-Y98 HydrophobicContact CG-CD2 3.92Å; R58-Y98 HydrophobicContact CG-CE1 4.2Å; R58-Y98 HydrophobicContact CG-CG 3.39Å; R58-Y98 VanDerWaalsContact N-CE1 3.28Å; R58-Y98 VanDerWaalsContact NH2-C 3.29Å; R58-Y98 PolarHBondContact NH2-O 2.75Å; R58-D99 IonicContact CZ-OD1 2.72Å; R58-D99 IonicContact NH1-OD1 2.77Å; R58-D99 PolarHBondContact NH1-OD1 2.95Å; R58-D99 IonicContact NH2-OD1 2.69Å; R58-D99 PolarHBondContact NH2-OD1 2.98Å |
| 59 | T | 50.6 | Low | 78.5 | Confident | 134 Ų | 134 | 42.7 Ų | 42.7 | 82% | 0.822 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -106.4 | -31.2 | -170.8 | 47.5 | 0 | 0 | 0 | 0 | 113.4 | S57 | S57-T59 PolarHBondContact O-N 2.81Å; S57-T59 PolarHBondContact OG-N 2.78Å; S57-T59 PolarHBondContact OG-OG1 2.74Å |
| 60 | E | 59.4 | Low | 78.3 | Confident | 118 Ų | 118 | 44.1 Ų | 44.1 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | trans | -155.6 | 145.3 | -173.9 | -165.7 | 176.6 | 176.2 | 0 | 0 | 112.5 | S57 | S57-E60 PolarHBondContact N-O 2.83Å; S57-E60 PolarHBondContact OG-N 2.88Å; S57-E60 PolarHBondContact OG-O 3.49Å | ||
| 61 | N | 69 | Low | 78.3 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -104.1 | 134.1 | 170.4 | -65.3 | -16.7 | 0 | 0 | 0 | 109.9 | A56 Y91 | A56-N61 WeakPolarHBondContact CB-OD1 3.35Å; N61-Y91 WeakPolarHBondContact CB-OH 3.48Å |
| 62 | L | 73.5 | Confident | 78.3 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | trans | -68.5 | 134.4 | -179 | -61.8 | 179.5 | 0 | 0 | 0 | 111.5 | I24 E26 I55 R66 L67 Y91 | I24-L62 HydrophobicContact CG2-CD1 3.37Å; E26-L62 WeakPolarHBondContact OE1-CD2 3.13Å; I55-L62 HydrophobicContact CG2-CB 4.5Å; I55-L62 WeakPolarHBondContact O-CG 3.31Å; I55-L62 PolarHBondContact O-N 3.05Å; L62-R66 VanDerWaalsContact CD2-NH2 3.33Å; L62-L67 HydrophobicContact CD1-CD2 4.15Å; L62-Y91 WeakPolarHBondContact O-CE1 3.47Å; L62-Y91 VanDerWaalsContact O-CZ 3.22Å; L62-Y91 PolarHBondContact O-OH 3.4Å | ||
| 63 | A | 77.9 | Confident | 78.3 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | trans | -62 | 141.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S65 R66 | A63-S65 PolarHBondContact O-N 2.85Å; A63-R66 HydrophobicContact CB-CG 4.26Å; A63-R66 VanDerWaalsContact O-CB 3.27Å; A63-R66 WeakPolarHBondContact O-CB 3.36Å; A63-R66 PolarHBondContact O-N 3.46Å | ||
| 64 | P | 80.7 | Confident | 78.4 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -54.2 | -31.2 | -179.8 | -27.4 | 33.5 | 0 | 0 | 0 | 114.5 | R66 L67 V88 Y91 | P64-R66 PolarHBondContact O-N 2.9Å; P64-R66 VanDerWaalsContact O-N 3.15Å; P64-L67 PolarHBondContact O-N 3.14Å; P64-L67 VanDerWaalsContact O-N 3.16Å; P64-V88 CarbonylContact C-O 3.57Å; P64-V88 HydrophobicContact CB-CG1 4.27Å; P64-Y91 HydrophobicContact CB-CD1 4.45Å; P64-Y91 HydrophobicContact CG-CD1 3.98Å; P64-Y91 HydrophobicContact CG-CE1 3.83Å |
| 65 | S | 76.5 | Confident | 78.1 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 62% | 0.622 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -64 | -15.6 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | A63 | A63-S65 PolarHBondContact O-N 2.85Š|
| 66 | R | 79.1 | Confident | 78 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -88 | -10.9 | 179.4 | -61.3 | 172.3 | 54.8 | 148.9 | 1.1 | 112.7 | V25 E26 L62 A63 P64 R520 | V25-R66 PolarHBondContact N-O 3.42Å; E26-R66 IonicContact OE1-CZ 3.22Å; E26-R66 IonicContact OE1-NH2 3.09Å; E26-R66 PolarHBondContact OE1-NH2 2.89Å; L62-R66 VanDerWaalsContact CD2-NH2 3.33Å; A63-R66 HydrophobicContact CB-CG 4.26Å; A63-R66 VanDerWaalsContact O-CB 3.27Å; A63-R66 WeakPolarHBondContact O-CB 3.36Å; A63-R66 PolarHBondContact O-N 3.46Å; P64-R66 PolarHBondContact O-N 2.9Å; P64-R66 VanDerWaalsContact O-N 3.15Å; R66-R520 VanDerWaalsContact CB-NH1 3.28Å |
| 67 | L | 85.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.7 | -173.1 | -59.7 | 171.9 | 0 | 0 | 0 | 110.9 | I24 I55 L62 P64 V88 Y91 L108 | I24-L67 HydrophobicContact CB-CD2 4.45Å; I24-L67 HydrophobicContact CG1-CD2 4.12Å; I24-L67 HydrophobicContact CG2-CD2 4Å; I55-L67 HydrophobicContact CD1-CD1 4.43Å; I55-L67 HydrophobicContact CG1-CD1 4.06Å; I55-L67 HydrophobicContact CG1-CD2 4.28Å; I55-L67 HydrophobicContact CG2-CD1 3.91Å; L62-L67 HydrophobicContact CD1-CD2 4.15Å; P64-L67 PolarHBondContact O-N 3.14Å; P64-L67 VanDerWaalsContact O-N 3.16Å; L67-V88 HydrophobicContact CB-CB 3.82Å; L67-V88 HydrophobicContact CB-CG2 3.48Å; L67-V88 VanDerWaalsContact CB-CG2 3.48Å; L67-V88 HydrophobicContact CD1-CB 4.48Å; L67-V88 HydrophobicContact CD1-CG1 4.38Å; L67-V88 HydrophobicContact CD1-CG2 4.39Å; L67-V88 PolarHBondContact O-N 2.98Å; L67-Y91 HydrophobicContact CD1-CD1 3.96Å; L67-Y91 HydrophobicContact CD1-CE1 4.25Å; L67-L108 HydrophobicContact CD1-CD2 4.04Å |
| 68 | H | 87.7 | Confident | 78.4 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.1 | -177.7 | -60.4 | -83.2 | 0 | 0 | 0 | 110.4 | I22 L23 V25 Y85 | I22-H68 CarbonylContact C-O 3.59Å; I22-H68 WeakPolarHBondContact CA-O 3.45Å; L23-H68 HydrophobicContact CB-CB 4.23Å; L23-H68 PolarHBondContact N-O 3.36Å; L23-H68 PolarHBondContact O-N 3.04Å; V25-H68 WeakPolarHBondContact CG2-CD2 3.18Å; H68-Y85 HydrophobicContact CB-CE2 3.7Å; H68-Y85 PolarHBondContact CE1-OH 3.41Å; H68-Y85 AromaticContact CG-CE2 3.95Å; H68-Y85 AromaticContact CG-CZ 3.97Å; H68-Y85 AromaticContact ND1-CE2 3.72Å; H68-Y85 AromaticContact ND1-CZ 3.26Å; H68-Y85 VanDerWaalsContact ND1-CZ 3.26Å; H68-Y85 PolarHBondContact ND1-OH 2.73Å |
| 69 | V | 94.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.1 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | A20 Y21 I22 V48 L71 Y85 R86 V88 L108 L110 | A20-V69 HydrophobicContact CB-CG1 4.05Å; Y21-V69 CarbonylContact O-C 3.48Å; Y21-V69 WeakPolarHBondContact O-CA 3.26Å; I22-V69 HydrophobicContact CG1-CG2 4.42Å; V48-V69 HydrophobicContact CG2-CG1 4.2Å; V69-L71 HydrophobicContact CG1-CD1 4.45Å; V69-L71 HydrophobicContact CG1-CG 4.15Å; V69-Y85 CarbonylContact O-C 3.58Å; V69-Y85 WeakPolarHBondContact O-CA 3.43Å; V69-R86 PolarHBondContact N-O 2.93Å; V69-R86 PolarHBondContact O-N 3.11Å; V69-V88 HydrophobicContact CG2-CG2 3.99Å; V69-L108 HydrophobicContact CG2-CD1 4.15Å; V69-L110 HydrophobicContact CB-CD2 3.8Å; V69-L110 HydrophobicContact CG1-CD2 4.14Å; V69-L110 HydrophobicContact CG2-CD2 3.66Å |
| 70 | I | 92.4 | Very high | 80.8 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.3 | 173.5 | -57.3 | 169.7 | 0 | 0 | 0 | 107.8 | Y21 A73 M76 M83 Y85 | Y21-I70 HydrophobicContact CD1-CD1 4.21Å; Y21-I70 PolarHBondContact N-O 2.66Å; Y21-I70 PolarHBondContact O-N 3.05Å; I70-A73 HydrophobicContact CG2-CB 4.32Å; I70-M76 HydrophobicContact CD1-CE 4.11Å; I70-M83 HydrophobicContact CG2-CB 4.41Å; I70-M83 HydrophobicContact CG2-CG 4.41Å; I70-M83 HydrophobicContact CG2-SD 4.44Å; I70-Y85 HydrophobicContact CG1-CD2 4.1Å |
| 71 | L | 94.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.9 | 178.3 | -69.7 | 158.2 | 0 | 0 | 0 | 109.7 | A20 L36 V69 A73 M83 V84 L110 V114 I120 | A20-L71 HydrophobicContact CB-CD2 3.59Å; A20-L71 HydrophobicContact CB-CG 4.46Å; L36-L71 HydrophobicContact CB-CD2 4.16Å; L36-L71 HydrophobicContact CD1-CD1 4.3Å; V69-L71 HydrophobicContact CG1-CD1 4.45Å; V69-L71 HydrophobicContact CG1-CG 4.15Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 2.92Å; L71-M83 CarbonylContact O-C 3.3Å; L71-M83 VanDerWaalsContact O-CA 3.29Å; L71-M83 WeakPolarHBondContact O-CA 3.39Å; L71-V84 PolarHBondContact N-O 3.43Å; L71-V84 PolarHBondContact O-N 3.17Å; L71-L110 HydrophobicContact CD1-CD1 4.13Å; L71-V114 HydrophobicContact CD1-CB 4.32Å; L71-V114 HydrophobicContact CD1-CG1 4.41Å; L71-V114 HydrophobicContact CD1-CG2 3.85Å; L71-I120 HydrophobicContact CB-CD1 3.84Å; L71-I120 HydrophobicContact CB-CG1 4.18Å; L71-I120 HydrophobicContact CB-CG2 4.26Å |
| 72 | G | 92.1 | Very high | 82.5 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 75.2 | 18.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 73 | A | 89 | Confident | 83.3 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | trans | -90.6 | 134.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | I70 L71 M76 M83 W143 | I70-A73 HydrophobicContact CG2-CB 4.32Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 2.92Å; A73-M76 HydrophobicContact CB-SD 3.61Å; A73-M83 HydrophobicContact CB-CE 3.55Å; A73-M83 HydrophobicContact CB-CG 4.07Å; A73-M83 HydrophobicContact CB-SD 4.36Å; A73-W143 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 74 | H | 87.4 | Confident | 83.8 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -103.3 | -54.3 | 166.5 | -178.2 | 65.7 | 0 | 0 | 0 | 111.3 | A11 R13 E80 W143 | A11-H74 PolarHBondContact O-CE1 2.88Å; R13-H74 HydrophobicContact CG-CB 4.27Å; R13-H74 VanDerWaalsContact CG-CD2 3.43Å; R13-H74 WeakPolarHBondContact CG-CD2 3.39Å; H74-E80 WeakPolarHBondContact CB-OE1 3.32Å; H74-E80 WeakPolarHBondContact CB-OE2 3.45Å; H74-E80 PolarHBondContact N-OE2 3.19Å; H74-W143 PolarHBondContact O-NE1 2.92Å |
| 75 | E | 81.4 | Confident | 84.3 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | trans | -105.8 | 113.6 | 172.4 | -177.6 | 68.3 | -126.6 | 0 | 0 | 110.4 | R4 R77 D78 E80 M83 | R4-E75 IonicContact CZ-OE1 3.53Å; R4-E75 VanDerWaalsContact CZ-OE1 3.24Å; R4-E75 IonicContact CZ-OE2 2.83Å; R4-E75 IonicContact NH1-OE1 3.44Å; R4-E75 PolarHBondContact NH1-OE1 2.8Å; R4-E75 IonicContact NH1-OE2 3.57Å; R4-E75 PolarHBondContact NH1-OE2 2.74Å; R4-E75 IonicContact NH2-OE1 2.79Å; R4-E75 PolarHBondContact NH2-OE1 2.97Å; E75-R77 HydrophobicContact CG-CB 4.26Å; E75-R77 PolarHBondContact O-N 2.99Å; E75-D78 HydrophobicContact CB-CB 4.45Å; E75-D78 HydrophobicContact CG-CB 4.31Å; E75-D78 PolarHBondContact O-N 3.28Å; E75-D78 VanDerWaalsContact O-O 3.08Å; E75-E80 PolarHBondContact N-OE1 2.78Å; E75-E80 VanDerWaalsContact N-OE1 3.11Å; E75-M83 WeakPolarHBondContact O-CE 3.14Å | ||
| 76 | M | 78.6 | Confident | 84.9 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 26% | 0.261 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.3 | -178.3 | -73.7 | -59.8 | -57 | 0 | 0 | 114.3 | Y21 I70 A73 W143 | Y21-M76 HydrophobicContact CD1-CE 3.31Å; Y21-M76 HydrophobicContact CD1-SD 4.37Å; Y21-M76 HydrophobicContact CD2-CE 3.77Å; Y21-M76 HydrophobicContact CD2-CG 4.16Å; Y21-M76 HydrophobicContact CD2-SD 4.04Å; Y21-M76 HydrophobicContact CE1-CE 3.55Å; Y21-M76 HydrophobicContact CE2-CE 4Å; Y21-M76 HydrophobicContact CE2-CG 4.41Å; Y21-M76 HydrophobicContact CG-CE 3.39Å; Y21-M76 HydrophobicContact CG-SD 3.86Å; I70-M76 HydrophobicContact CD1-CE 4.11Å; A73-M76 HydrophobicContact CB-SD 3.61Å; M76-W143 HydrophobicContact CG-CD2 4.18Å; M76-W143 HydrophobicContact CG-CG 3.9Å |
| 77 | R | 73.5 | Confident | 85.2 | Confident | 207 Ų | 207 | 57.7 Ų | 57.7 | 78% | 0.781 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.7 | 177.2 | -66.7 | -178.6 | 177.8 | 174.1 | -0.4 | 113.3 | E75 | E75-R77 HydrophobicContact CG-CB 4.26Å; E75-R77 PolarHBondContact O-N 2.99Å |
| 78 | D | 71.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 58 Ų | 58 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -111.3 | 139.8 | -177.1 | -68.2 | -25.7 | 0 | 0 | 0 | 110 | E75 E80 M83 | E75-D78 HydrophobicContact CB-CB 4.45Å; E75-D78 HydrophobicContact CG-CB 4.31Å; E75-D78 PolarHBondContact O-N 3.28Å; E75-D78 VanDerWaalsContact O-O 3.08Å; D78-E80 PolarHBondContact O-N 3.09Å; D78-M83 WeakPolarHBondContact O-CE 3.21Å |
| 79 | I | 74.2 | Confident | 85.2 | Confident | 168 Ų | 168 | 61.8 Ų | 61.8 | 86% | 0.862 | 30% | 0.301 | S | S | * | . | trans | -78.7 | 104.6 | 171.5 | -60.1 | 173.4 | 0 | 0 | 0 | 108.1 | ||||
| 80 | E | 78.5 | Confident | 84.9 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | trans | -90.4 | 142.3 | -179.9 | -63.6 | 178.8 | 162.2 | 0 | 0 | 111.6 | R13 H74 E75 D78 A82 M83 | R13-E80 IonicContact CZ-OE1 3.55Å; R13-E80 IonicContact NH1-OE1 3.88Å; R13-E80 PolarHBondContact NH1-OE1 2.82Å; R13-E80 IonicContact NH1-OE2 4Å; R13-E80 IonicContact NH2-OE1 2.77Å; H74-E80 WeakPolarHBondContact CB-OE1 3.32Å; H74-E80 WeakPolarHBondContact CB-OE2 3.45Å; H74-E80 PolarHBondContact N-OE2 3.19Å; E75-E80 PolarHBondContact N-OE1 2.78Å; E75-E80 VanDerWaalsContact N-OE1 3.11Å; D78-E80 PolarHBondContact O-N 3.09Å; E80-A82 PolarHBondContact O-N 2.93Å; E80-A82 VanDerWaalsContact O-N 3.09Å; E80-M83 HydrophobicContact CB-CE 3.98Å; E80-M83 HydrophobicContact CB-CG 3.98Å; E80-M83 HydrophobicContact CB-SD 4.43Å; E80-M83 HydrophobicContact CG-CE 3.98Å; E80-M83 PolarHBondContact N-SD 2.79Å; E80-M83 VanDerWaalsContact O-CB 3.3Å; E80-M83 WeakPolarHBondContact O-CB 3.48Å; E80-M83 WeakPolarHBondContact O-CG 2.96Å; E80-M83 PolarHBondContact O-N 3.21Å | ||
| 81 | P | 78.7 | Confident | 84.8 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 92% | 0.916 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.7 | -177.8 | -25.1 | 33.7 | 0 | 0 | 0 | 114.8 | M83 | P81-M83 VanDerWaalsContact C-N 3.31Š|
| 82 | A | 85 | Confident | 84.4 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E80 V84 E119 | E80-A82 PolarHBondContact O-N 2.93Å; E80-A82 VanDerWaalsContact O-N 3.09Å; A82-V84 PolarHBondContact O-N 2.89Å; A82-E119 HydrophobicContact CB-CB 3.69Å; A82-E119 HydrophobicContact CB-CG 3.52Å |
| 83 | M | 90.9 | Very high | 84 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | trans | -65 | 126 | -179 | -70.5 | -175.2 | 178.7 | 0 | 0 | 111.5 | I70 L71 A73 E75 D78 E80 P81 | I70-M83 HydrophobicContact CG2-CB 4.41Å; I70-M83 HydrophobicContact CG2-CG 4.41Å; I70-M83 HydrophobicContact CG2-SD 4.44Å; L71-M83 CarbonylContact O-C 3.3Å; L71-M83 VanDerWaalsContact O-CA 3.29Å; L71-M83 WeakPolarHBondContact O-CA 3.39Å; A73-M83 HydrophobicContact CB-CE 3.55Å; A73-M83 HydrophobicContact CB-CG 4.07Å; A73-M83 HydrophobicContact CB-SD 4.36Å; E75-M83 WeakPolarHBondContact O-CE 3.14Å; D78-M83 WeakPolarHBondContact O-CE 3.21Å; E80-M83 HydrophobicContact CB-CE 3.98Å; E80-M83 HydrophobicContact CB-CG 3.98Å; E80-M83 HydrophobicContact CB-SD 4.43Å; E80-M83 HydrophobicContact CG-CE 3.98Å; E80-M83 PolarHBondContact N-SD 2.79Å; E80-M83 VanDerWaalsContact O-CB 3.3Å; E80-M83 WeakPolarHBondContact O-CB 3.48Å; E80-M83 WeakPolarHBondContact O-CG 2.96Å; E80-M83 PolarHBondContact O-N 3.21Å; P81-M83 VanDerWaalsContact C-N 3.31Å | ||
| 84 | V | 88.4 | Confident | 83.4 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 113.6 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L71 A82 R86 V114 I120 | L71-V84 PolarHBondContact N-O 3.43Å; L71-V84 PolarHBondContact O-N 3.17Å; A82-V84 PolarHBondContact O-N 2.89Å; V84-R86 HydrophobicContact CG1-CG 4.34Å; V84-R86 VanDerWaalsContact CG1-CZ 3.45Å; V84-R86 VanDerWaalsContact CG1-NH1 3.26Å; V84-V114 HydrophobicContact CB-CG1 4.34Å; V84-V114 HydrophobicContact CG1-CG1 3.96Å; V84-V114 HydrophobicContact CG1-CG2 3.97Å; V84-V114 HydrophobicContact CG2-CG1 4.47Å; V84-I120 HydrophobicContact CB-CD1 3.63Å; V84-I120 HydrophobicContact CG2-CD1 3.37Å |
| 85 | Y | 90 | Very high | 82.6 | Confident | 117 Ų | 117 | 71.9 Ų | 71.9 | 46% | 0.459 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.7 | 174.6 | 173.5 | -88.7 | 0 | 0 | 0 | 111.8 | H68 V69 I70 R87 | H68-Y85 HydrophobicContact CB-CE2 3.7Å; H68-Y85 PolarHBondContact CE1-OH 3.41Å; H68-Y85 AromaticContact CG-CE2 3.95Å; H68-Y85 AromaticContact CG-CZ 3.97Å; H68-Y85 AromaticContact ND1-CE2 3.72Å; H68-Y85 AromaticContact ND1-CZ 3.26Å; H68-Y85 VanDerWaalsContact ND1-CZ 3.26Å; H68-Y85 PolarHBondContact ND1-OH 2.73Å; V69-Y85 CarbonylContact O-C 3.58Å; V69-Y85 WeakPolarHBondContact O-CA 3.43Å; I70-Y85 HydrophobicContact CG1-CD2 4.1Å; Y85-R87 HydrophobicContact CE1-CG 4.08Å |
| 86 | R | 90.4 | Very high | 81.7 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 25% | 0.249 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.2 | 175.4 | -67.9 | -65.2 | -178.6 | -94.5 | 1.3 | 110.9 | V69 V84 L110 S112 V114 | V69-R86 PolarHBondContact N-O 2.93Å; V69-R86 PolarHBondContact O-N 3.11Å; V84-R86 HydrophobicContact CG1-CG 4.34Å; V84-R86 VanDerWaalsContact CG1-CZ 3.45Å; V84-R86 VanDerWaalsContact CG1-NH1 3.26Å; R86-L110 HydrophobicContact CB-CB 4.19Å; R86-L110 HydrophobicContact CB-CD1 4.14Å; R86-L110 HydrophobicContact CB-CD2 4.1Å; R86-L110 HydrophobicContact CB-CG 4.37Å; R86-L110 HydrophobicContact CG-CD1 4.12Å; R86-S112 WeakPolarHBondContact CD-O 3.23Å; R86-S112 WeakPolarHBondContact CD-OG 3.33Å; R86-S112 PolarHBondContact NE-O 2.84Å; R86-S112 PolarHBondContact NE-OG 2.83Å; R86-S112 VanDerWaalsContact NE-OG 3.14Å; R86-V114 HydrophobicContact CG-CG2 3.7Å |
| 87 | R | 84.9 | Confident | 81 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 155.9 | 169.3 | -64.9 | -172.1 | -70.6 | 170.4 | 9.4 | 109.7 | Y85 L110 S111 E861 | Y85-R87 HydrophobicContact CE1-CG 4.08Å; R87-L110 CarbonylContact O-C 3.52Å; R87-S111 WeakPolarHBondContact O-CB 3.34Å; R87-S111 PolarHBondContact O-N 3.23Å; R87-S111 PolarHBondContact O-OG 3.07Å; R87-E861 IonicContact CZ-OE1 3.9Å; R87-E861 IonicContact NH1-OE1 3.4Å; R87-E861 PolarHBondContact NH1-OE1 2.84Å; R87-E861 IonicContact NH2-OE1 3.99Å; R87-E861 PolarHBondContact NH2-OE1 3.23Å |
| 88 | V | 88.6 | Confident | 80.5 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.3 | 171 | 179 | 0 | 0 | 0 | 0 | 109.9 | P64 L67 V69 N90 L108 K109 | P64-V88 CarbonylContact C-O 3.57Å; P64-V88 HydrophobicContact CB-CG1 4.27Å; L67-V88 HydrophobicContact CB-CB 3.82Å; L67-V88 HydrophobicContact CB-CG2 3.48Å; L67-V88 VanDerWaalsContact CB-CG2 3.48Å; L67-V88 HydrophobicContact CD1-CB 4.48Å; L67-V88 HydrophobicContact CD1-CG1 4.38Å; L67-V88 HydrophobicContact CD1-CG2 4.39Å; L67-V88 PolarHBondContact O-N 2.98Å; V69-V88 HydrophobicContact CG2-CG2 3.99Å; V88-N90 WeakPolarHBondContact CG1-O 3.42Å; V88-L108 HydrophobicContact CG1-CB 4.4Å; V88-L108 HydrophobicContact CG1-CD2 4.02Å; V88-L108 HydrophobicContact CG2-CB 4.3Å; V88-L108 HydrophobicContact CG2-CD1 4.06Å; V88-L108 HydrophobicContact CG2-CD2 4.26Å; V88-L108 HydrophobicContact CG2-CG 4.46Å; V88-K109 CarbonylContact C-O 3.59Å |
| 89 | K | 84.2 | Confident | 80 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -44 | 176.6 | -174.8 | 179.4 | 172.4 | -173.5 | 0 | 111.6 | K109 E209 | K89-K109 HydrophobicContact CB-CG 4.28Å; K89-K109 WeakPolarHBondContact CB-O 3.49Å; K89-K109 HydrophobicContact CD-CG 4.31Å; K89-K109 PolarHBondContact N-O 2.89Å; K89-E209 IonicContact NZ-OE1 3.21Å; K89-E209 PolarHBondContact NZ-OE1 2.95Å |
| 90 | N | 87.8 | Confident | 79.6 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 166 | 178.9 | -159.3 | 12.7 | 0 | 0 | 0 | 108.7 | V88 K109 I208 V211 | V88-N90 WeakPolarHBondContact CG1-O 3.42Å; N90-K109 WeakPolarHBondContact O-CB 3.39Å; N90-K109 PolarHBondContact O-N 2.88Å; N90-I208 PolarHBondContact ND2-O 2.77Å; N90-V211 PolarHBondContact ND2-O 2.9Å |
| 91 | Y | 90.3 | Very high | 79 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 161.1 | 169.3 | 60.4 | -96.1 | 0 | 0 | 0 | 111.1 | I55 N61 L62 P64 L67 T93 T106 L107 L108 | I55-Y91 HydrophobicContact CG2-CD1 4.11Å; I55-Y91 HydrophobicContact CG2-CD2 3.99Å; I55-Y91 HydrophobicContact CG2-CE1 3.87Å; I55-Y91 HydrophobicContact CG2-CE2 3.76Å; I55-Y91 HydrophobicContact CG2-CG 4.17Å; N61-Y91 WeakPolarHBondContact CB-OH 3.48Å; L62-Y91 WeakPolarHBondContact O-CE1 3.47Å; L62-Y91 VanDerWaalsContact O-CZ 3.22Å; L62-Y91 PolarHBondContact O-OH 3.4Å; P64-Y91 HydrophobicContact CB-CD1 4.45Å; P64-Y91 HydrophobicContact CG-CD1 3.98Å; P64-Y91 HydrophobicContact CG-CE1 3.83Å; L67-Y91 HydrophobicContact CD1-CD1 3.96Å; L67-Y91 HydrophobicContact CD1-CE1 4.25Å; Y91-T93 HydrophobicContact CD2-CG2 3.76Å; Y91-T93 HydrophobicContact CE2-CG2 3.84Å; Y91-T106 HydrophobicContact CD2-CG2 4.21Å; Y91-T106 HydrophobicContact CG-CG2 4.46Å; Y91-L107 CarbonylContact C-O 3.59Å; Y91-L107 WeakPolarHBondContact CA-O 3.3Å; Y91-L107 VanDerWaalsContact CB-O 3.25Å; Y91-L107 WeakPolarHBondContact CB-O 3.29Å; Y91-L108 HydrophobicContact CG-CD2 4.35Å |
| 92 | A | 85.6 | Confident | 78.7 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 115.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L107 T204 I208 | A92-L107 PolarHBondContact N-O 3.16Å; A92-L107 PolarHBondContact O-N 3.02Å; A92-T204 HydrophobicContact CB-CG2 3.41Å; A92-T204 VanDerWaalsContact CB-CG2 3.41Å; A92-I208 HydrophobicContact CB-CD1 3.99Å; A92-I208 HydrophobicContact CB-CG1 4.09Å |
| 93 | T | 84.3 | Confident | 78.6 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 142.9 | 175.4 | 70.4 | 0 | 0 | 0 | 0 | 109 | T52 Y91 T106 | T52-T93 HydrophobicContact CG2-CG2 4.07Å; Y91-T93 HydrophobicContact CD2-CG2 3.76Å; Y91-T93 HydrophobicContact CE2-CG2 3.84Å; T93-T106 WeakPolarHBondContact CA-OG1 3.49Å; T93-T106 WeakPolarHBondContact CB-OG1 3.27Å; T93-T106 HydrophobicContact CG2-CG2 3.94Å; T93-T106 VanDerWaalsContact CG2-OG1 3.3Å; T93-T106 WeakPolarHBondContact CG2-OG1 3.3Å |
| 94 | H | 76.7 | Confident | 78.4 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | trans | -68.2 | 167.9 | 163 | -160.7 | -85 | 0 | 0 | 0 | 109.5 | Y96 N103 I105 Y197 W200 | H94-Y96 PolarHBondContact O-N 3.13Å; H94-N103 HydrophobicContact CB-CB 4.11Å; H94-N103 PolarHBondContact CE1-OD1 2.86Å; H94-N103 VanDerWaalsContact CE1-OD1 3.27Å; H94-N103 VanDerWaalsContact ND1-CB 3.26Å; H94-N103 WeakPolarHBondContact ND1-CB 3.4Å; H94-N103 VanDerWaalsContact ND1-CG 3.31Å; H94-N103 PolarHBondContact ND1-OD1 2.67Å; H94-I105 HydrophobicContact CB-CG2 3.83Å; H94-I105 PolarHBondContact N-O 3.26Å; H94-I105 VanDerWaalsContact N-O 3.07Å; H94-Y197 AromaticContact CD2-CD1 3.94Å; H94-Y197 AromaticContact CD2-CE1 3.92Å; H94-W200 HydrophobicContact CB-CH2 3.99Å; H94-W200 HydrophobicContact CB-CZ2 3.8Å; H94-W200 AromaticContact CD2-CD1 3.66Å; H94-W200 AromaticContact CD2-CD2 3.61Å; H94-W200 AromaticContact CD2-CE2 3.51Å; H94-W200 AromaticContact CD2-CG 3.73Å; H94-W200 AromaticContact CD2-NE1 3.53Å | ||
| 95 | F | 70.7 | Confident | 78.6 | Confident | 150 Ų | 150 | 58.2 Ų | 58.2 | 66% | 0.658 | 28% | 0.275 | S | S | * | . | trans | -65.7 | 78.7 | 174.1 | -65 | -79.8 | 0 | 0 | 0 | 110.7 | N97 N103 | F95-N97 PolarHBondContact O-N 2.77Å; F95-N103 WeakPolarHBondContact O-CB 3.18Å; F95-N103 PolarHBondContact O-ND2 2.74Å | ||
| 96 | Y | 63.4 | Low | 78.7 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | trans | -68.6 | 128.3 | -178.2 | 177.3 | -121.6 | 0 | 0 | 0 | 110.6 | T52 H53 H94 Y98 D101 D102 D104 | T52-Y96 HydrophobicContact CG2-CD1 3.89Å; T52-Y96 HydrophobicContact CG2-CG 3.8Å; H53-Y96 HydrophobicContact CB-CE1 4.46Å; H94-Y96 PolarHBondContact O-N 3.13Å; Y96-Y98 AromaticContact CD1-CD1 3.69Å; Y96-Y98 HydrophobicContact CD1-CD1 3.69Å; Y96-Y98 HydrophobicContact CD1-CD2 4.16Å; Y96-Y98 AromaticContact CD1-CE1 3.44Å; Y96-Y98 HydrophobicContact CD1-CE1 3.44Å; Y96-Y98 VanDerWaalsContact CD1-CE1 3.44Å; Y96-Y98 AromaticContact CD1-CE2 3.93Å; Y96-Y98 HydrophobicContact CD1-CE2 3.93Å; Y96-Y98 HydrophobicContact CD1-CG 4.03Å; Y96-Y98 AromaticContact CD1-CZ 3.54Å; Y96-Y98 AromaticContact CE1-CD1 3.3Å; Y96-Y98 HydrophobicContact CE1-CD1 3.3Å; Y96-Y98 AromaticContact CE1-CE1 3.28Å; Y96-Y98 HydrophobicContact CE1-CE1 3.28Å; Y96-Y98 AromaticContact CE1-CG 3.96Å; Y96-Y98 HydrophobicContact CE1-CG 3.96Å; Y96-Y98 AromaticContact CE1-CZ 3.92Å; Y96-D101 HydrophobicContact CE2-CB 4.18Å; Y96-D101 PolarHBondContact OH-OD1 2.84Å; Y96-D102 WeakPolarHBondContact CA-O 3.49Å; Y96-D102 VanDerWaalsContact CD2-O 3.28Å; Y96-D102 WeakPolarHBondContact CD2-O 3.48Å; Y96-D104 HydrophobicContact CD2-CB 3.91Å; Y96-D104 HydrophobicContact CE2-CB 3.6Å | ||
| 97 | N | 64.1 | Low | 78.9 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -99.5 | 101.7 | 178.7 | -177.9 | 0.7 | 0 | 0 | 0 | 109.7 | F95 D99 N100 D101 D102 | F95-N97 PolarHBondContact O-N 2.77Å; N97-D99 PolarHBondContact O-N 2.86Å; N97-D99 VanDerWaalsContact O-N 3.1Å; N97-D99 PolarHBondContact OD1-N 2.99Å; N97-D99 VanDerWaalsContact OD1-N 3.08Å; N97-N100 WeakPolarHBondContact CB-OD1 3.33Å; N97-N100 PolarHBondContact ND2-OD1 2.93Å; N97-N100 PolarHBondContact O-N 3.25Å; N97-N100 PolarHBondContact O-OD1 3.15Å; N97-D101 WeakPolarHBondContact O-CA 3.44Å; N97-D101 PolarHBondContact O-N 3.46Å; N97-D102 HydrophobicContact CB-CB 4.2Å; N97-D102 PolarHBondContact N-O 2.93Å; N97-D102 PolarHBondContact O-N 3.26Å |
| 98 | Y | 62.6 | Low | 79.4 | Confident | 69 Ų | 69 | 45.7 Ų | 45.7 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.6 | -179.2 | -65.7 | -84.2 | 0 | 0 | 0 | 114.9 | A56 S57 R58 Y96 | A56-Y98 VanDerWaalsContact C-OH 3.26Å; A56-Y98 WeakPolarHBondContact CB-OH 3.46Å; A56-Y98 PolarHBondContact O-OH 3.44Å; S57-Y98 VanDerWaalsContact C-OH 3.24Å; S57-Y98 PolarHBondContact N-OH 2.88Å; S57-Y98 PolarHBondContact O-OH 3.21Å; R58-Y98 HydrophobicContact CB-CD1 4.43Å; R58-Y98 HydrophobicContact CB-CG 4.48Å; R58-Y98 HydrophobicContact CG-CD1 3.54Å; R58-Y98 HydrophobicContact CG-CD2 3.92Å; R58-Y98 HydrophobicContact CG-CE1 4.2Å; R58-Y98 HydrophobicContact CG-CG 3.39Å; R58-Y98 VanDerWaalsContact N-CE1 3.28Å; R58-Y98 VanDerWaalsContact NH2-C 3.29Å; R58-Y98 PolarHBondContact NH2-O 2.75Å; Y96-Y98 AromaticContact CD1-CD1 3.69Å; Y96-Y98 HydrophobicContact CD1-CD1 3.69Å; Y96-Y98 HydrophobicContact CD1-CD2 4.16Å; Y96-Y98 AromaticContact CD1-CE1 3.44Å; Y96-Y98 HydrophobicContact CD1-CE1 3.44Å; Y96-Y98 VanDerWaalsContact CD1-CE1 3.44Å; Y96-Y98 AromaticContact CD1-CE2 3.93Å; Y96-Y98 HydrophobicContact CD1-CE2 3.93Å; Y96-Y98 HydrophobicContact CD1-CG 4.03Å; Y96-Y98 AromaticContact CD1-CZ 3.54Å; Y96-Y98 AromaticContact CE1-CD1 3.3Å; Y96-Y98 HydrophobicContact CE1-CD1 3.3Å; Y96-Y98 AromaticContact CE1-CE1 3.28Å; Y96-Y98 HydrophobicContact CE1-CE1 3.28Å; Y96-Y98 AromaticContact CE1-CG 3.96Å; Y96-Y98 HydrophobicContact CE1-CG 3.96Å; Y96-Y98 AromaticContact CE1-CZ 3.92Å |
| 99 | D | 60.6 | Low | 79.6 | Confident | 128 Ų | 128 | 46.1 Ų | 46.1 | 68% | 0.684 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -21.1 | 178.3 | -69.7 | -34.9 | 0 | 0 | 0 | 112.8 | R58 N97 | R58-D99 IonicContact CZ-OD1 2.72Å; R58-D99 IonicContact NH1-OD1 2.77Å; R58-D99 PolarHBondContact NH1-OD1 2.95Å; R58-D99 IonicContact NH2-OD1 2.69Å; R58-D99 PolarHBondContact NH2-OD1 2.98Å; N97-D99 PolarHBondContact O-N 2.86Å; N97-D99 VanDerWaalsContact O-N 3.1Å; N97-D99 PolarHBondContact OD1-N 2.99Å; N97-D99 VanDerWaalsContact OD1-N 3.08Å |
| 100 | N | 67.1 | Low | 80 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 49% | 0.492 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | 11.2 | -176.2 | 69.2 | -11.7 | 0 | 0 | 0 | 114.3 | N97 D102 | N97-N100 WeakPolarHBondContact CB-OD1 3.33Å; N97-N100 PolarHBondContact ND2-OD1 2.93Å; N97-N100 PolarHBondContact O-N 3.25Å; N97-N100 PolarHBondContact O-OD1 3.15Å; N100-D102 PolarHBondContact O-N 2.91Å; N100-D102 VanDerWaalsContact O-N 3.12Å; N100-D102 WeakPolarHBondContact OD1-CB 3.17Å; N100-D102 PolarHBondContact OD1-N 2.85Å; N100-D102 VanDerWaalsContact OD1-N 3.12Å |
| 101 | D | 64.1 | Low | 80 | Confident | 53 Ų | 53 | 42.5 Ų | 42.5 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 24.9 | -176.2 | -59.6 | -49 | 0 | 0 | 0 | 114.7 | Y96 N97 L176 | Y96-D101 HydrophobicContact CE2-CB 4.18Å; Y96-D101 PolarHBondContact OH-OD1 2.84Å; N97-D101 WeakPolarHBondContact O-CA 3.44Å; N97-D101 PolarHBondContact O-N 3.46Å; D101-L176 HydrophobicContact CB-CD1 3.67Å; D101-L176 HydrophobicContact CB-CG 4.41Å; D101-L176 WeakPolarHBondContact OD2-CD1 3.5Å |
| 102 | D | 73.2 | Confident | 79.9 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | B | Isolated β-bridge | trans | -75.5 | 144.8 | 178 | -170.7 | 26.3 | 0 | 0 | 0 | 111.1 | Y96 N97 N100 | Y96-D102 WeakPolarHBondContact CA-O 3.49Å; Y96-D102 VanDerWaalsContact CD2-O 3.28Å; Y96-D102 WeakPolarHBondContact CD2-O 3.48Å; N97-D102 HydrophobicContact CB-CB 4.2Å; N97-D102 PolarHBondContact N-O 2.93Å; N97-D102 PolarHBondContact O-N 3.26Å; N100-D102 PolarHBondContact O-N 2.91Å; N100-D102 VanDerWaalsContact O-N 3.12Å; N100-D102 WeakPolarHBondContact OD1-CB 3.17Å; N100-D102 PolarHBondContact OD1-N 2.85Å; N100-D102 VanDerWaalsContact OD1-N 3.12Å |
| 103 | N | 82.2 | Confident | 80.1 | Confident | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 38 | -174.5 | -46 | -79.2 | 0 | 0 | 0 | 115.6 | H94 F95 I105 Y197 | H94-N103 HydrophobicContact CB-CB 4.11Å; H94-N103 PolarHBondContact CE1-OD1 2.86Å; H94-N103 VanDerWaalsContact CE1-OD1 3.27Å; H94-N103 VanDerWaalsContact ND1-CB 3.26Å; H94-N103 WeakPolarHBondContact ND1-CB 3.4Å; H94-N103 VanDerWaalsContact ND1-CG 3.31Å; H94-N103 PolarHBondContact ND1-OD1 2.67Å; F95-N103 WeakPolarHBondContact O-CB 3.18Å; F95-N103 PolarHBondContact O-ND2 2.74Å; N103-I105 PolarHBondContact O-N 3.05Å; N103-Y197 WeakPolarHBondContact CA-OH 3.37Å; N103-Y197 HydrophobicContact CB-CE1 4.39Å; N103-Y197 PolarHBondContact OD1-OH 3.29Å |
| 104 | D | 87.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -73 | 60.6 | 177.3 | -166 | 16.6 | 0 | 0 | 0 | 113.6 | T52 H53 Y96 S175 V192 | T52-D104 WeakPolarHBondContact CA-OD1 3.28Å; T52-D104 WeakPolarHBondContact CB-OD1 3.36Å; T52-D104 PolarHBondContact N-OD1 3.1Å; H53-D104 IonicContact CE1-OD2 3.17Å; H53-D104 IonicContact CG-OD1 2.9Å; H53-D104 IonicContact CG-OD2 2.97Å; H53-D104 PolarHBondContact N-OD1 2.92Å; H53-D104 IonicContact ND1-OD1 2.78Å; H53-D104 PolarHBondContact ND1-OD1 2.95Å; H53-D104 IonicContact ND1-OD2 3.5Å; H53-D104 PolarHBondContact ND1-OD2 2.98Å; Y96-D104 HydrophobicContact CD2-CB 3.91Å; Y96-D104 HydrophobicContact CE2-CB 3.6Å; D104-S175 WeakPolarHBondContact CB-OG 3.22Å; D104-S175 WeakPolarHBondContact OD2-CA 3.01Å; D104-S175 VanDerWaalsContact OD2-CB 3.26Å; D104-S175 WeakPolarHBondContact OD2-CB 3.42Å; D104-S175 PolarHBondContact OD2-OG 3.46Å; D104-V192 HydrophobicContact CB-CG2 3.94Å; D104-V192 WeakPolarHBondContact O-CG2 3.28Å | ||
| 105 | I | 92.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -138.8 | 132.5 | -179.4 | -172.3 | 173.3 | 0 | 0 | 0 | 112.4 | I49 T52 H94 N103 V173 V192 M194 Y197 W200 I201 | I49-I105 HydrophobicContact CG2-CD1 4.02Å; I49-I105 HydrophobicContact CG2-CG1 3.9Å; T52-I105 PolarHBondContact OG1-N 2.98Å; T52-I105 PolarHBondContact OG1-O 3.34Å; H94-I105 HydrophobicContact CB-CG2 3.83Å; H94-I105 PolarHBondContact N-O 3.26Å; H94-I105 VanDerWaalsContact N-O 3.07Å; N103-I105 PolarHBondContact O-N 3.05Å; I105-V173 HydrophobicContact CD1-CG2 4.33Å; I105-V173 HydrophobicContact CG1-CG2 4.47Å; I105-V192 HydrophobicContact CB-CG1 4.43Å; I105-M194 HydrophobicContact CD1-CE 4.5Å; I105-M194 HydrophobicContact CD1-SD 3.59Å; I105-M194 VanDerWaalsContact CD1-SD 3.59Å; I105-Y197 HydrophobicContact CD1-CG 4.32Å; I105-Y197 HydrophobicContact CG2-CD1 3.79Å; I105-Y197 HydrophobicContact CG2-CE1 3.79Å; I105-Y197 HydrophobicContact CG2-CG 4.22Å; I105-W200 HydrophobicContact CD1-CZ3 4.12Å; I105-W200 HydrophobicContact CG1-CZ3 4.11Å; I105-W200 HydrophobicContact CG2-CH2 4.27Å; I105-W200 HydrophobicContact CG2-CZ3 3.87Å; I105-I201 HydrophobicContact CD1-CD1 4.24Å; I105-I201 HydrophobicContact CD1-CG1 4.5Å | ||
| 106 | T | 93.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 137.5 | 178.5 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | T50 T52 I55 Y91 T93 L108 | T50-T106 PolarHBondContact N-O 2.79Å; T50-T106 PolarHBondContact O-N 3.31Å; T52-T106 VanDerWaalsContact CA-OG1 3.28Å; T52-T106 WeakPolarHBondContact CA-OG1 3.04Å; T52-T106 WeakPolarHBondContact CB-OG1 3.19Å; T52-T106 PolarHBondContact OG1-OG1 2.86Å; I55-T106 HydrophobicContact CD1-CG2 3.44Å; I55-T106 VanDerWaalsContact CD1-CG2 3.44Å; Y91-T106 HydrophobicContact CD2-CG2 4.21Å; Y91-T106 HydrophobicContact CG-CG2 4.46Å; T93-T106 WeakPolarHBondContact CA-OG1 3.49Å; T93-T106 WeakPolarHBondContact CB-OG1 3.27Å; T93-T106 HydrophobicContact CG2-CG2 3.94Å; T93-T106 VanDerWaalsContact CG2-OG1 3.3Å; T93-T106 WeakPolarHBondContact CG2-OG1 3.3Å; T106-L108 HydrophobicContact CG2-CD2 4.3Å |
| 107 | L | 94.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.2 | 171.6 | -87.9 | 61.2 | 0 | 0 | 0 | 109.9 | I47 I49 Y91 A92 W200 I201 T204 M205 I208 | I47-L107 HydrophobicContact CG2-CD2 4.32Å; I47-L107 HydrophobicContact CG2-CG 4.24Å; I49-L107 HydrophobicContact CD1-CD1 4.22Å; I49-L107 HydrophobicContact CG1-CD1 3.99Å; I49-L107 HydrophobicContact CG1-CG 4.12Å; Y91-L107 CarbonylContact C-O 3.59Å; Y91-L107 WeakPolarHBondContact CA-O 3.3Å; Y91-L107 VanDerWaalsContact CB-O 3.25Å; Y91-L107 WeakPolarHBondContact CB-O 3.29Å; A92-L107 PolarHBondContact N-O 3.16Å; A92-L107 PolarHBondContact O-N 3.02Å; L107-W200 HydrophobicContact CD1-CE3 4.38Å; L107-W200 HydrophobicContact CD1-CH2 3.68Å; L107-W200 HydrophobicContact CD1-CZ3 3.41Å; L107-W200 VanDerWaalsContact CD1-CZ3 3.41Å; L107-I201 HydrophobicContact CD1-CG1 4.33Å; L107-I201 HydrophobicContact CD2-CG2 4.34Å; L107-T204 HydrophobicContact CB-CG2 4.47Å; L107-T204 HydrophobicContact CD2-CG2 3.82Å; L107-M205 HydrophobicContact CD2-CG 3.68Å; L107-I208 HydrophobicContact CB-CD1 3.87Å; L107-I208 WeakPolarHBondContact O-CD1 3.06Å |
| 108 | L | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.1 | 171.6 | -60.8 | -176.7 | 0 | 0 | 0 | 110.1 | I22 I47 V48 T50 I55 L67 V69 V88 Y91 T106 | I22-L108 HydrophobicContact CD1-CD1 3.75Å; I22-L108 HydrophobicContact CG1-CD1 4.25Å; I22-L108 HydrophobicContact CG2-CD1 4.4Å; I47-L108 WeakPolarHBondContact CA-O 3.38Å; V48-L108 HydrophobicContact CB-CB 4.27Å; V48-L108 PolarHBondContact N-O 2.78Å; V48-L108 PolarHBondContact O-N 2.83Å; T50-L108 HydrophobicContact CG2-CD1 4.08Å; T50-L108 HydrophobicContact CG2-CG 4.16Å; I55-L108 HydrophobicContact CD1-CD1 4.49Å; I55-L108 HydrophobicContact CD1-CD2 3.48Å; I55-L108 VanDerWaalsContact CD1-CD2 3.48Å; I55-L108 HydrophobicContact CD1-CG 4.22Å; L67-L108 HydrophobicContact CD1-CD2 4.04Å; V69-L108 HydrophobicContact CG2-CD1 4.15Å; V88-L108 HydrophobicContact CG1-CB 4.4Å; V88-L108 HydrophobicContact CG1-CD2 4.02Å; V88-L108 HydrophobicContact CG2-CB 4.3Å; V88-L108 HydrophobicContact CG2-CD1 4.06Å; V88-L108 HydrophobicContact CG2-CD2 4.26Å; V88-L108 HydrophobicContact CG2-CG 4.46Å; Y91-L108 HydrophobicContact CG-CD2 4.35Å; T106-L108 HydrophobicContact CG2-CD2 4.3Å |
| 109 | K | 92.6 | Very high | 86.3 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 118.4 | 169 | -175.8 | 67.4 | 167.6 | -171.8 | 0 | 109 | D46 I47 V88 K89 N90 I208 | D46-K109 HydrophobicContact CB-CD 4.47Å; D46-K109 VanDerWaalsContact CG-CE 3.44Å; D46-K109 IonicContact OD1-NZ 3.3Å; D46-K109 PolarHBondContact OD1-NZ 2.91Å; D46-K109 WeakPolarHBondContact OD2-CE 3.49Å; D46-K109 IonicContact OD2-NZ 3.85Å; D46-K109 PolarHBondContact OD2-NZ 3.16Å; I47-K109 HydrophobicContact CD1-CD 3.49Å; I47-K109 VanDerWaalsContact CD1-CD 3.49Å; V88-K109 CarbonylContact C-O 3.59Å; K89-K109 HydrophobicContact CB-CG 4.28Å; K89-K109 WeakPolarHBondContact CB-O 3.49Å; K89-K109 HydrophobicContact CD-CG 4.31Å; K89-K109 PolarHBondContact N-O 2.89Å; N90-K109 WeakPolarHBondContact O-CB 3.39Å; N90-K109 PolarHBondContact O-N 2.88Å; K109-I208 HydrophobicContact CB-CD1 4.01Å; K109-I208 HydrophobicContact CB-CG1 4.15Å; K109-I208 HydrophobicContact CB-CG2 4.25Å; K109-I208 HydrophobicContact CD-CG2 3.97Å; K109-I208 HydrophobicContact CG-CG2 4.31Å |
| 110 | L | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 152.1 | 176.4 | -55 | -176.9 | 0 | 0 | 0 | 111.2 | D46 V48 V69 L71 R86 R87 S112 V114 | D46-L110 HydrophobicContact CB-CB 4.1Å; D46-L110 WeakPolarHBondContact O-CG 3.42Å; D46-L110 PolarHBondContact O-N 2.89Å; V48-L110 HydrophobicContact CG2-CD1 4.2Å; V48-L110 HydrophobicContact CG2-CD2 4.24Å; V48-L110 HydrophobicContact CG2-CG 4.4Å; V69-L110 HydrophobicContact CB-CD2 3.8Å; V69-L110 HydrophobicContact CG1-CD2 4.14Å; V69-L110 HydrophobicContact CG2-CD2 3.66Å; L71-L110 HydrophobicContact CD1-CD1 4.13Å; R86-L110 HydrophobicContact CB-CB 4.19Å; R86-L110 HydrophobicContact CB-CD1 4.14Å; R86-L110 HydrophobicContact CB-CD2 4.1Å; R86-L110 HydrophobicContact CB-CG 4.37Å; R86-L110 HydrophobicContact CG-CD1 4.12Å; R87-L110 CarbonylContact O-C 3.52Å; L110-S112 PolarHBondContact O-N 2.97Å; L110-S112 VanDerWaalsContact O-N 3.16Å; L110-V114 HydrophobicContact CD1-CG2 4.1Å |
| 111 | S | 87.4 | Confident | 89.2 | Confident | 57 Ų | 57 | 36.7 Ų | 36.7 | 40% | 0.399 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | -25.3 | 178.1 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | R87 | R87-S111 WeakPolarHBondContact O-CB 3.34Å; R87-S111 PolarHBondContact O-N 3.23Å; R87-S111 PolarHBondContact O-OG 3.07Å |
| 112 | S | 88 | Confident | 90.8 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 147.3 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | R86 L110 | R86-S112 WeakPolarHBondContact CD-O 3.23Å; R86-S112 WeakPolarHBondContact CD-OG 3.33Å; R86-S112 PolarHBondContact NE-O 2.84Å; R86-S112 PolarHBondContact NE-OG 2.83Å; R86-S112 VanDerWaalsContact NE-OG 3.14Å; L110-S112 PolarHBondContact O-N 2.97Å; L110-S112 VanDerWaalsContact O-N 3.16Å |
| 113 | P | 90 | Very high | 91.8 | Very high | 44 Ų | 44 | 32 Ų | 32 | 29% | 0.286 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 154.4 | 174.5 | -23.3 | 32.5 | 0 | 0 | 0 | 114.3 | Q44 S45 D46 | Q44-P113 HydrophobicContact CB-CB 4.04Å; Q44-P113 HydrophobicContact CG-CB 4.03Å; S45-P113 CarbonylContact O-C 3.59Å; S45-P113 WeakPolarHBondContact O-CA 3.3Å; D46-P113 HydrophobicContact CB-CB 4.24Å; D46-P113 HydrophobicContact CB-CG 4.09Å |
| 114 | V | 92.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.1 | 173 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | Q44 S45 L71 V84 R86 L110 I120 | Q44-V114 CarbonylContact C-O 3.51Å; Q44-V114 WeakPolarHBondContact CA-O 3.35Å; Q44-V114 WeakPolarHBondContact CB-O 3.36Å; S45-V114 PolarHBondContact N-O 2.77Å; S45-V114 PolarHBondContact O-N 3.33Å; L71-V114 HydrophobicContact CD1-CB 4.32Å; L71-V114 HydrophobicContact CD1-CG1 4.41Å; L71-V114 HydrophobicContact CD1-CG2 3.85Å; V84-V114 HydrophobicContact CB-CG1 4.34Å; V84-V114 HydrophobicContact CG1-CG1 3.96Å; V84-V114 HydrophobicContact CG1-CG2 3.97Å; V84-V114 HydrophobicContact CG2-CG1 4.47Å; R86-V114 HydrophobicContact CG-CG2 3.7Å; L110-V114 HydrophobicContact CD1-CG2 4.1Å; V114-I120 HydrophobicContact CG1-CB 4.5Å; V114-I120 HydrophobicContact CG1-CD1 3.96Å; V114-I120 HydrophobicContact CG1-CG2 3.77Å |
| 115 | N | 93.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 34 Ų | 34 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 146.2 | 178.5 | -66 | -20.5 | 0 | 0 | 0 | 110.2 | T117 | N115-T117 PolarHBondContact O-N 2.81Å |
| 116 | Y | 93.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 34 Ų | 34 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | trans | -72.9 | 128.2 | 175.2 | -55.2 | -19.2 | 0 | 0 | 0 | 110.5 | L36 D38 G42 N43 Q44 S45 I120 P122 | L36-Y116 HydrophobicContact CD2-CE1 4.48Å; D38-Y116 PolarHBondContact OD1-OH 2.96Å; G42-Y116 WeakPolarHBondContact O-CE2 3.43Å; N43-Y116 HydrophobicContact CB-CD2 4.37Å; N43-Y116 PolarHBondContact O-N 2.76Å; Q44-Y116 VanDerWaalsContact C-CZ 3.49Å; Q44-Y116 PolarHBondContact O-OH 2.96Å; S45-Y116 WeakPolarHBondContact CB-OH 3.48Å; Y116-I120 CarbonylContact C-O 3.56Å; Y116-I120 WeakPolarHBondContact CA-O 3.37Å; Y116-P122 HydrophobicContact CD1-CG 4.5Å; Y116-P122 VanDerWaalsContact CE1-CD 3.42Å; Y116-P122 HydrophobicContact CE1-CG 3.84Å; Y116-P122 HydrophobicContact CE2-CG 3.98Å | ||
| 117 | T | 91.7 | Very high | 91.8 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 41% | 0.405 | 20% | 0.204 | S | C | . | . | trans | -129.7 | -178.6 | 174.1 | 74 | 0 | 0 | 0 | 0 | 109.6 | N115 E119 I120 | N115-T117 PolarHBondContact O-N 2.81Å; T117-E119 WeakPolarHBondContact CB-OE2 3.3Å; T117-E119 PolarHBondContact O-N 3.49Å; T117-E119 PolarHBondContact OG1-N 2.76Å; T117-E119 PolarHBondContact OG1-OE2 2.89Å; T117-I120 PolarHBondContact N-O 2.99Å; T117-I120 CarbonylContact O-C 3.58Å; T117-I120 VanDerWaalsContact O-O 3.12Å; T117-I120 PolarHBondContact OG1-N 3.17Å; T117-I120 VanDerWaalsContact OG1-N 3.14Å | ||
| 118 | E | 89.3 | Confident | 91.1 | Very high | 154 Ų | 154 | 42.8 Ų | 42.8 | 72% | 0.72 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -63.8 | -28.1 | 173.5 | -64.4 | -174 | 179 | 0 | 0 | 111.9 | ||
| 119 | E | 92.8 | Very high | 90.2 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -95.2 | -20.1 | -178.4 | -54.1 | 82.9 | -176.4 | 0 | 0 | 113.9 | N14 P17 A82 T117 | N14-E119 WeakPolarHBondContact OD1-CG 3.3Å; P17-E119 VanDerWaalsContact CA-O 3.29Å; P17-E119 WeakPolarHBondContact CA-O 3.49Å; P17-E119 WeakPolarHBondContact CB-O 3.27Å; A82-E119 HydrophobicContact CB-CB 3.69Å; A82-E119 HydrophobicContact CB-CG 3.52Å; T117-E119 WeakPolarHBondContact CB-OE2 3.3Å; T117-E119 PolarHBondContact O-N 3.49Å; T117-E119 PolarHBondContact OG1-N 2.76Å; T117-E119 PolarHBondContact OG1-OE2 2.89Å |
| 120 | I | 95 | Very high | 89.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | trans | -132 | 109.1 | -178.5 | -56.2 | 175.7 | 0 | 0 | 0 | 109.8 | P17 L36 L71 V84 V114 Y116 T117 | P17-I120 WeakPolarHBondContact O-CA 3.35Å; L36-I120 HydrophobicContact CD2-CG2 3.86Å; L71-I120 HydrophobicContact CB-CD1 3.84Å; L71-I120 HydrophobicContact CB-CG1 4.18Å; L71-I120 HydrophobicContact CB-CG2 4.26Å; V84-I120 HydrophobicContact CB-CD1 3.63Å; V84-I120 HydrophobicContact CG2-CD1 3.37Å; V114-I120 HydrophobicContact CG1-CB 4.5Å; V114-I120 HydrophobicContact CG1-CD1 3.96Å; V114-I120 HydrophobicContact CG1-CG2 3.77Å; Y116-I120 CarbonylContact C-O 3.56Å; Y116-I120 WeakPolarHBondContact CA-O 3.37Å; T117-I120 PolarHBondContact N-O 2.99Å; T117-I120 CarbonylContact O-C 3.58Å; T117-I120 VanDerWaalsContact O-O 3.12Å; T117-I120 PolarHBondContact OG1-N 3.17Å; T117-I120 VanDerWaalsContact OG1-N 3.14Å | ||
| 121 | S | 94.2 | Very high | 88.3 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -155 | 148.5 | 173.9 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | P17 W18 | P17-S121 CarbonylContact C-O 3.58Å; P17-S121 VanDerWaalsContact C-O 3.3Å; P17-S121 WeakPolarHBondContact CB-OG 2.87Å; P17-S121 WeakPolarHBondContact CG-OG 3.26Å; P17-S121 PolarHBondContact O-N 2.57Å; W18-S121 WeakPolarHBondContact CA-O 3.38Å; W18-S121 VanDerWaalsContact CB-O 3.27Å; W18-S121 WeakPolarHBondContact CB-O 3.47Å; W18-S121 PolarHBondContact N-O 3.22Å; W18-S121 VanDerWaalsContact N-O 3.15Å | ||
| 122 | P | 96.3 | Very high | 87.3 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 154 | -170.7 | 31.9 | -37.5 | 0 | 0 | 0 | 112.7 | L36 V37 D38 Y116 | L36-P122 HydrophobicContact CD2-CB 4.42Å; L36-P122 HydrophobicContact CG-CB 4.31Å; L36-P122 VanDerWaalsContact O-CA 3.25Å; L36-P122 WeakPolarHBondContact O-CA 3.34Å; V37-P122 VanDerWaalsContact C-CB 3.49Å; D38-P122 HydrophobicContact CB-CB 4.03Å; D38-P122 HydrophobicContact CB-CG 3.78Å; D38-P122 VanDerWaalsContact N-CB 3.29Å; Y116-P122 HydrophobicContact CD1-CG 4.5Å; Y116-P122 VanDerWaalsContact CE1-CD 3.42Å; Y116-P122 HydrophobicContact CE1-CG 3.84Å; Y116-P122 HydrophobicContact CE2-CG 3.98Å |
| 123 | I | 95.7 | Very high | 86.1 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -88.1 | 151.1 | 168.7 | -166.7 | 163.9 | 0 | 0 | 0 | 111.3 | W18 F35 L36 V37 F161 Y168 A170 | W18-I123 HydrophobicContact CB-CB 3.84Å; W18-I123 HydrophobicContact CB-CG2 4.19Å; W18-I123 HydrophobicContact CD2-CB 3.84Å; W18-I123 HydrophobicContact CD2-CD1 4.07Å; W18-I123 HydrophobicContact CD2-CG1 4.23Å; W18-I123 HydrophobicContact CE3-CB 4.19Å; W18-I123 HydrophobicContact CG-CB 3.67Å; W18-I123 HydrophobicContact CG-CD1 4.3Å; W18-I123 HydrophobicContact CG-CG1 4.45Å; W18-I123 HydrophobicContact CG-CG2 4.23Å; W18-I123 HydrophobicContact CZ2-CD1 4.16Å; F35-I123 HydrophobicContact CB-CG2 4.4Å; F35-I123 HydrophobicContact CD2-CG2 3.58Å; F35-I123 HydrophobicContact CE2-CG2 4.29Å; F35-I123 HydrophobicContact CG-CG2 4.35Å; L36-I123 PolarHBondContact O-N 2.96Å; V37-I123 HydrophobicContact CG1-CG2 4.34Å; I123-F161 HydrophobicContact CD1-CB 3.5Å; I123-F161 HydrophobicContact CD1-CG 4.2Å; I123-Y168 WeakPolarHBondContact CG1-O 3.33Å; I123-A170 HydrophobicContact CD1-CB 3.99Å; I123-A170 HydrophobicContact CG1-CB 4.29Å; I123-A170 HydrophobicContact CG2-CB 3.84Å |
| 124 | C | 92.9 | Very high | 84.2 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 140.4 | 178 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | Y168 F169 A170 | C124-Y168 WeakPolarHBondContact CB-O 3.43Å; C124-Y168 PolarHBondContact N-O 2.91Å; C124-F169 HydrophobicContact CB-CD1 3.35Å; C124-F169 HydrophobicContact CB-CE1 3.46Å; C124-F169 VanDerWaalsContact CB-CE1 3.46Å; C124-F169 HydrophobicContact CB-CG 3.92Å; C124-F169 HydrophobicContact CB-CZ 4.11Å; C124-F169 WeakPolarHBondContact O-CA 3.23Å; C124-A170 PolarHBondContact O-N 3.35Å |
| 125 | L | 92.2 | Very high | 82.8 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 137.6 | 168.7 | -68.8 | 174.6 | 0 | 0 | 0 | 110.8 | V37 I49 F169 M194 I201 L202 | V37-L125 HydrophobicContact CB-CD2 4.34Å; V37-L125 HydrophobicContact CG1-CD2 3.87Å; V37-L125 HydrophobicContact CG1-CG 4.48Å; I49-L125 HydrophobicContact CD1-CD2 4.1Å; L125-F169 WeakPolarHBondContact O-CD1 3.38Å; L125-M194 HydrophobicContact CD2-CE 3.8Å; L125-I201 HydrophobicContact CD1-CG2 3.64Å; L125-I201 HydrophobicContact CD2-CD1 4.17Å; L125-I201 HydrophobicContact CD2-CG2 4.22Å; L125-L202 HydrophobicContact CD1-CD2 4.3Å |
| 126 | P | 87 | Confident | 81.3 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 152 | 177.2 | 33.7 | -36.2 | 0 | 0 | 0 | 111.1 | T131 A170 L171 M194 D195 H198 | P126-T131 HydrophobicContact CB-CG2 4.46Å; P126-A170 WeakPolarHBondContact CD-O 3.27Å; P126-A170 WeakPolarHBondContact CG-O 2.96Å; P126-L171 HydrophobicContact CB-CD2 3.63Å; P126-L171 HydrophobicContact CG-CD2 4.31Å; P126-M194 HydrophobicContact CG-CB 3.51Å; P126-D195 HydrophobicContact CG-CB 4.47Å; P126-H198 PolarHBondContact O-ND1 2.68Å |
| 127 | T | 82.6 | Confident | 80.5 | Confident | 51 Ų | 51 | 76.1 Ų | 76.1 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | trans | -111.3 | 166.7 | 166.1 | 67.1 | 0 | 0 | 0 | 0 | 109.2 | H129 T130 T131 | T127-H129 PolarHBondContact O-N 2.9Å; T127-H129 VanDerWaalsContact O-N 3.11Å; T127-H129 PolarHBondContact OG1-N 3.44Å; T127-T130 PolarHBondContact N-OG1 2.79Å; T127-T130 WeakPolarHBondContact O-CA 3.24Å; T127-T130 VanDerWaalsContact O-CB 3.29Å; T127-T130 WeakPolarHBondContact O-CB 3.45Å; T127-T130 PolarHBondContact O-N 3.45Å; T127-T130 PolarHBondContact OG1-N 3.39Å; T127-T130 PolarHBondContact OG1-OG1 3.32Å; T127-T131 PolarHBondContact O-N 2.95Å; T127-T131 PolarHBondContact O-OG1 3.07Å | ||
| 128 | K | 78.5 | Confident | 80.3 | Confident | 135 Ų | 135 | 75.2 Ų | 75.2 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56 | -27 | 171.7 | -67.6 | -172.6 | 177 | -178.6 | 0 | 113.5 | T131 N132 | K128-T131 WeakPolarHBondContact CA-OG1 3.38Å; K128-T131 PolarHBondContact O-OG1 3.31Å; K128-N132 WeakPolarHBondContact O-CB 3.29Å; K128-N132 PolarHBondContact O-N 2.9Å; K128-N132 PolarHBondContact O-ND2 3.17Å |
| 129 | H | 76.4 | Confident | 80.3 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 62% | 0.616 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.9 | -36.1 | 174.2 | -175.3 | -56.3 | 0 | 0 | 0 | 111.5 | T127 | T127-H129 PolarHBondContact O-N 2.9Å; T127-H129 VanDerWaalsContact O-N 3.11Å; T127-H129 PolarHBondContact OG1-N 3.44Å |
| 130 | T | 75.3 | Confident | 80 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 9% | 0.092 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.5 | -40.2 | -179.8 | -48.6 | 0 | 0 | 0 | 0 | 111.4 | T127 I164 F169 | T127-T130 PolarHBondContact N-OG1 2.79Å; T127-T130 WeakPolarHBondContact O-CA 3.24Å; T127-T130 VanDerWaalsContact O-CB 3.29Å; T127-T130 WeakPolarHBondContact O-CB 3.45Å; T127-T130 PolarHBondContact O-N 3.45Å; T127-T130 PolarHBondContact OG1-N 3.39Å; T127-T130 PolarHBondContact OG1-OG1 3.32Å; T130-I164 HydrophobicContact CG2-CD1 3.28Å; T130-F169 HydrophobicContact CG2-CB 4.3Å; T130-F169 HydrophobicContact CG2-CD1 3.91Å; T130-F169 HydrophobicContact CG2-CD2 4.11Å; T130-F169 HydrophobicContact CG2-CE1 4.23Å; T130-F169 HydrophobicContact CG2-CE2 4.41Å; T130-F169 HydrophobicContact CG2-CG 3.85Å; T130-F169 HydrophobicContact CG2-CZ 4.47Å |
| 131 | T | 69.7 | Low | 79.6 | Confident | 34 Ų | 34 | 72.1 Ų | 72.1 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.7 | -23.2 | -177.8 | 35.9 | 0 | 0 | 0 | 0 | 115.2 | P126 T127 K128 R133 L171 D195 | P126-T131 HydrophobicContact CB-CG2 4.46Å; T127-T131 PolarHBondContact O-N 2.95Å; T127-T131 PolarHBondContact O-OG1 3.07Å; K128-T131 WeakPolarHBondContact CA-OG1 3.38Å; K128-T131 PolarHBondContact O-OG1 3.31Å; T131-R133 PolarHBondContact O-N 2.92Å; T131-L171 HydrophobicContact CG2-CD1 4.45Å; T131-L171 HydrophobicContact CG2-CD2 3.91Å; T131-D195 WeakPolarHBondContact CB-OD2 3.48Å; T131-D195 HydrophobicContact CG2-CB 3.79Å; T131-D195 WeakPolarHBondContact OG1-CB 3.32Å; T131-D195 VanDerWaalsContact OG1-CG 3.3Å; T131-D195 PolarHBondContact OG1-OD2 3.07Å |
| 132 | N | 66.4 | Low | 79.2 | Confident | 138 Ų | 138 | 71.3 Ų | 71.3 | 74% | 0.738 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.7 | 179.4 | -80.6 | -14.5 | 0 | 0 | 0 | 114.6 | K128 | K128-N132 WeakPolarHBondContact O-CB 3.29Å; K128-N132 PolarHBondContact O-N 2.9Å; K128-N132 PolarHBondContact O-ND2 3.17Å |
| 133 | R | 64 | Low | 78.6 | Confident | 109 Ų | 109 | 73 Ų | 73 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -83.3 | 128.3 | 173.2 | -67.5 | -175.3 | 174.6 | 176.5 | 2.6 | 108.7 | T131 L135 D165 | T131-R133 PolarHBondContact O-N 2.92Å; R133-L135 WeakPolarHBondContact O-CG 3.29Å; R133-L135 PolarHBondContact O-N 2.95Å; R133-L135 VanDerWaalsContact O-N 3.13Å; R133-D165 IonicContact CZ-OD2 3.34Å; R133-D165 VanDerWaalsContact NH1-CG 3.3Å; R133-D165 IonicContact NH1-OD1 3.55Å; R133-D165 PolarHBondContact NH1-OD1 3.44Å; R133-D165 VanDerWaalsContact NH1-OD1 3.15Å; R133-D165 IonicContact NH1-OD2 3.17Å; R133-D165 PolarHBondContact NH1-OD2 2.83Å; R133-D165 IonicContact NH2-OD2 2.87Å |
| 134 | L | 48.5 | Very low | 77.7 | Confident | 174 Ų | 174 | 73.1 Ų | 73.1 | 91% | 0.911 | 38% | 0.378 | S | S | * | . | trans | -57.6 | 115.4 | 169.4 | -88.6 | 138.5 | 0 | 0 | 0 | 108.4 | ||||
| 135 | L | 64.7 | Low | 76.3 | Confident | 60 Ų | 60 | 76 Ų | 76 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | trans | -108.7 | 118.1 | 179.3 | -68.9 | 162.7 | 0 | 0 | 0 | 108.4 | R133 C162 I164 L171 | R133-L135 WeakPolarHBondContact O-CG 3.29Å; R133-L135 PolarHBondContact O-N 2.95Å; R133-L135 VanDerWaalsContact O-N 3.13Å; L135-C162 HydrophobicContact CD1-CB 4.16Å; L135-I164 HydrophobicContact CD1-CD1 3.99Å; L135-I164 HydrophobicContact CD2-CD1 4.21Å; L135-I164 HydrophobicContact CD2-CG1 3.91Å; L135-L171 HydrophobicContact CD1-CD1 3.39Å | ||
| 136 | D | 61.4 | Low | 74.8 | Confident | 155 Ų | 155 | 77.5 Ų | 77.5 | 83% | 0.829 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74.6 | -30.8 | -176.3 | -70 | -23.9 | 0 | 0 | 0 | 112.5 | ||
| 137 | K | 76.4 | Confident | 72.9 | Confident | 182 Ų | 182 | 85.4 Ų | 85.4 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | trans | -149.8 | 129.5 | -175.4 | -62 | -174.9 | -178.3 | 178.9 | 0 | 112.2 | ||||
| 138 | C | 87.1 | Confident | 70.7 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 31% | 0.311 | 43% | 0.433 | S | S | . | . | trans | -124.3 | 167.3 | 173.1 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | L160 C162 | C138-L160 HydrophobicContact CB-CD1 3.85Å; C138-L160 HydrophobicContact CB-CG 4.24Å; C138-C162 HydrophobicContact CB-CB 4.01Å; C138-C162 WeakPolarHBondContact CB-SG 3.4Å; C138-C162 WeakPolarHBondContact SG-CB 3.2Å; C138-C162 CovalentContact SG-SG 2.02Å; C138-C162 PolarHBondContact SG-SG 3.33Å | ||
| 139 | F | 89.2 | Confident | 68.7 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.1 | -177.7 | -58.3 | -84.3 | 0 | 0 | 0 | 110.2 | W9 F161 Y168 | W9-F139 HydrophobicContact CZ2-CE1 4.38Å; F139-F161 HydrophobicContact CB-CD1 4.4Å; F139-F161 HydrophobicContact CB-CD2 3.96Å; F139-F161 HydrophobicContact CB-CE1 3.94Å; F139-F161 HydrophobicContact CB-CE2 3.45Å; F139-F161 VanDerWaalsContact CB-CE2 3.45Å; F139-F161 HydrophobicContact CB-CG 4.41Å; F139-F161 HydrophobicContact CB-CZ 3.43Å; F139-F161 VanDerWaalsContact CB-CZ 3.43Å; F139-F161 HydrophobicContact CD2-CD2 4.43Å; F139-F161 HydrophobicContact CD2-CE2 4.17Å; F139-F161 HydrophobicContact CG-CE2 4.07Å; F139-F161 HydrophobicContact CG-CZ 4.39Å; F139-F161 PolarHBondContact N-O 2.95Å; F139-F161 WeakPolarHBondContact O-CD1 3.43Å; F139-F161 PolarHBondContact O-N 2.92Å; F139-Y168 HydrophobicContact CD2-CE1 4.35Å; F139-Y168 HydrophobicContact CE2-CE1 4.31Å |
| 140 | A | 86.3 | Confident | 66.5 | Low | 49 Ų | 49 | 88.1 Ų | 88.1 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y191 | A140-Y191 WeakPolarHBondContact CB-OH 3.21Å |
| 141 | A | 87.3 | Confident | 64.6 | Low | 13 Ų | 13 | 88.1 Ų | 88.1 | 11% | 0.107 | 45% | 0.445 | C | S | . | . | trans | -147.4 | 149.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L16 M19 S158 F161 | L16-A141 HydrophobicContact CD1-CB 3.63Å; M19-A141 HydrophobicContact CE-CB 4.19Å; M19-A141 WeakPolarHBondContact CE-O 3.33Å; M19-A141 HydrophobicContact SD-CB 4.23Å; A141-S158 VanDerWaalsContact O-CB 3.25Å; A141-S158 WeakPolarHBondContact O-CB 3.1Å; A141-F161 HydrophobicContact CB-CE1 3.82Å; A141-F161 HydrophobicContact CB-CZ 4.17Å | ||
| 142 | G | 86.3 | Confident | 63.4 | Low | 19 Ų | 19 | 88.8 Ų | 88.8 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | trans | -178.4 | -175.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D155 | G142-D155 VanDerWaalsContact C-OD1 3.23Å; G142-D155 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 143 | W | 83.5 | Confident | 62.9 | Low | 62 Ų | 62 | 86.1 Ų | 86.1 | 24% | 0.235 | 43% | 0.428 | C | S | . | . | trans | -123.2 | 19.2 | -178.2 | -66 | -83.5 | 0 | 0 | 0 | 112.6 | M19 Y21 A73 H74 M76 D155 | M19-W143 HydrophobicContact CB-CH2 3.45Å; M19-W143 VanDerWaalsContact CB-CH2 3.45Å; M19-W143 HydrophobicContact CB-CZ2 4.28Å; M19-W143 HydrophobicContact CB-CZ3 4.02Å; M19-W143 HydrophobicContact CE-CE3 4.29Å; M19-W143 HydrophobicContact CE-CH2 4.26Å; M19-W143 HydrophobicContact CE-CZ3 3.79Å; M19-W143 HydrophobicContact CG-CH2 4.44Å; Y21-W143 HydrophobicContact CD2-CD2 4.49Å; Y21-W143 HydrophobicContact CD2-CE3 4.15Å; A73-W143 WeakPolarHBondContact O-CZ2 3.49Å; H74-W143 PolarHBondContact O-NE1 2.92Å; M76-W143 HydrophobicContact CG-CD2 4.18Å; M76-W143 HydrophobicContact CG-CG 3.9Å; W143-D155 PolarHBondContact N-OD1 3.38Å | ||
| 144 | G | 75.4 | Confident | 63.2 | Low | 8 Ų | 8 | 81.2 Ų | 81.2 | 8% | 0.082 | 41% | 0.411 | C | S | . | . | trans | -63.6 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | D155 | G144-D155 WeakPolarHBondContact CA-OD1 3.31Å; G144-D155 WeakPolarHBondContact CA-OD2 3.2Å; G144-D155 VanDerWaalsContact N-CG 3.34Å; G144-D155 PolarHBondContact N-OD1 2.89Å; G144-D155 PolarHBondContact N-OD2 2.77Å | ||
| 145 | K | 64.8 | Low | 64.7 | Low | 106 Ų | 106 | 73.8 Ų | 73.8 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | trans | -70.8 | 139.2 | -176.8 | -66.3 | 179 | -177.5 | 170.7 | 0 | 112.2 | S148 Q153 | K145-S148 WeakPolarHBondContact CB-OG 3.17Å; K145-S148 VanDerWaalsContact CD-OG 3.26Å; K145-S148 WeakPolarHBondContact CD-OG 3.39Å; K145-Q153 HydrophobicContact CD-CB 4.34Å; K145-Q153 PolarHBondContact N-O 3Å | ||
| 146 | T | 60.2 | Low | 65.8 | Low | 57 Ų | 57 | 71.9 Ų | 71.9 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -96.5 | -27.1 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 115.9 | R4 | R4-T146 HydrophobicContact CB-CG2 4.15Å; R4-T146 HydrophobicContact CG-CG2 3.75Å; R4-T146 VanDerWaalsContact N-CG2 3.29Å |
| 147 | E | 47.9 | Very low | 67.2 | Low | 166 Ų | 166 | 64.5 Ų | 64.5 | 78% | 0.776 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -127.3 | 6.1 | -165 | -69.7 | -174.6 | 169.4 | 0 | 0 | 114.2 | ||
| 148 | S | 35.5 | Very low | 68 | Low | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -97.7 | 143.8 | 176 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | K145 L150 | K145-S148 WeakPolarHBondContact CB-OG 3.17Å; K145-S148 VanDerWaalsContact CD-OG 3.26Å; K145-S148 WeakPolarHBondContact CD-OG 3.39Å; S148-L150 CarbonylContact O-C 3.54Å; S148-L150 PolarHBondContact O-N 2.86Å; S148-L150 PolarHBondContact OG-O 3.36Å |
| 149 | R | 35.7 | Very low | 68.3 | Low | 222 Ų | 222 | 53.8 Ų | 53.8 | 84% | 0.838 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -58.5 | 21.1 | 171.6 | -74.4 | -179 | 167.2 | 165 | -4 | 115.5 | N180 | R149-N180 PolarHBondContact O-OD1 3.08Š|
| 150 | L | 31.6 | Very low | 68.5 | Low | 108 Ų | 108 | 52 Ų | 52 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -148.3 | 82.4 | 176 | -66.8 | 172.4 | 0 | 0 | 0 | 106.1 | S148 F152 | S148-L150 CarbonylContact O-C 3.54Å; S148-L150 PolarHBondContact O-N 2.86Å; S148-L150 PolarHBondContact OG-O 3.36Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 2.94Å |
| 151 | A | 35.2 | Very low | 68.8 | Low | 16 Ų | 16 | 50 Ų | 50 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 20.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A179 C181 | A151-A179 PolarHBondContact N-O 3.08Å; A151-C181 HydrophobicContact CB-CB 4.25Å |
| 152 | F | 44.3 | Very low | 68.9 | Low | 48 Ų | 48 | 49.3 Ų | 49.3 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -1.4 | 177.7 | -78.8 | -70.4 | 0 | 0 | 0 | 115.3 | L150 G154 D155 L174 P178 C181 | L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 2.94Å; F152-G154 PolarHBondContact O-N 3.09Å; F152-D155 PolarHBondContact O-N 2.92Å; F152-L174 HydrophobicContact CD1-CD2 4.02Å; F152-L174 HydrophobicContact CE1-CD2 4.13Å; F152-P178 VanDerWaalsContact CD2-O 3.25Å; F152-P178 WeakPolarHBondContact CD2-O 3.28Å; F152-P178 HydrophobicContact CE2-CG 4.17Å; F152-P178 WeakPolarHBondContact CE2-O 3.12Å; F152-C181 WeakPolarHBondContact CE2-SG 3.18Å; F152-C181 WeakPolarHBondContact CZ-SG 3.28Å |
| 153 | Q | 56.1 | Low | 69 | Low | 82 Ų | 82 | 53.2 Ų | 53.2 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 108.4 | -178.1 | -154.4 | 168.7 | 21.8 | 0 | 0 | 109.8 | K145 | K145-Q153 HydrophobicContact CD-CB 4.34Å; K145-Q153 PolarHBondContact N-O 3Å |
| 154 | G | 69.5 | Low | 69 | Low | 5 Ų | 5 | 50.8 Ų | 50.8 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 125.5 | -31.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | S31 C32 A33 F152 | S31-G154 VanDerWaalsContact O-CA 3.26Å; S31-G154 WeakPolarHBondContact O-CA 3.34Å; C32-G154 CarbonylContact C-O 3.58Å; A33-G154 PolarHBondContact N-O 2.92Å; F152-G154 PolarHBondContact O-N 3.09Å |
| 155 | D | 80 | Confident | 69.4 | Low | 18 Ų | 18 | 56.7 Ų | 56.7 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.8 | -171.1 | -70.8 | -29.5 | 0 | 0 | 0 | 114.6 | G142 W143 G144 F152 G157 S158 L174 | G142-D155 VanDerWaalsContact C-OD1 3.23Å; G142-D155 WeakPolarHBondContact CA-OD1 3.48Å; W143-D155 PolarHBondContact N-OD1 3.38Å; G144-D155 WeakPolarHBondContact CA-OD1 3.31Å; G144-D155 WeakPolarHBondContact CA-OD2 3.2Å; G144-D155 VanDerWaalsContact N-CG 3.34Å; G144-D155 PolarHBondContact N-OD1 2.89Å; G144-D155 PolarHBondContact N-OD2 2.77Å; F152-D155 PolarHBondContact O-N 2.92Å; D155-G157 PolarHBondContact O-N 2.95Å; D155-S158 WeakPolarHBondContact O-CB 3.36Å; D155-S158 PolarHBondContact O-N 3.19Å; D155-S158 PolarHBondContact O-OG 2.82Å; D155-L174 HydrophobicContact CB-CD2 3.89Å; D155-L174 WeakPolarHBondContact O-CD2 3.33Å |
| 156 | S | 87.8 | Confident | 70.2 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 131.1 | 174.8 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | C32 A33 H53 | C32-S156 WeakPolarHBondContact CB-O 3.44Å; A33-S156 PolarHBondContact N-O 3Å; A33-S156 VanDerWaalsContact O-O 3.12Å; H53-S156 VanDerWaalsContact CE1-CB 3.49Å; H53-S156 WeakPolarHBondContact CE1-CB 3.5Å; H53-S156 PolarHBondContact CE1-OG 2.61Å; H53-S156 WeakPolarHBondContact NE2-CB 3.42Å; H53-S156 PolarHBondContact NE2-OG 2.95Å |
| 157 | G | 92.1 | Very high | 71.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A33 D155 L174 | A33-G157 CarbonylContact O-C 3.6Å; A33-G157 VanDerWaalsContact O-C 3.31Å; A33-G157 WeakPolarHBondContact O-CA 3.25Å; D155-G157 PolarHBondContact O-N 2.95Å; G157-L174 PolarHBondContact N-O 3.06Å |
| 158 | S | 92.2 | Very high | 73.7 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 152.2 | 176 | 56 | 0 | 0 | 0 | 0 | 113 | A141 D155 V173 L174 | A141-S158 VanDerWaalsContact O-CB 3.25Å; A141-S158 WeakPolarHBondContact O-CB 3.1Å; D155-S158 WeakPolarHBondContact O-CB 3.36Å; D155-S158 PolarHBondContact O-N 3.19Å; D155-S158 PolarHBondContact O-OG 2.82Å; S158-V173 WeakPolarHBondContact O-CA 3.35Å; S158-L174 PolarHBondContact O-N 3.34Å; S158-L174 WeakPolarHBondContact OG-CB 3.35Å |
| 159 | P | 94.1 | Very high | 76.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 138.8 | 178.2 | 30 | -30.3 | 0 | 0 | 0 | 112.3 | M19 F35 F161 A170 G172 | M19-P159 HydrophobicContact SD-CG 3.83Å; F35-P159 HydrophobicContact CB-CB 4.4Å; F35-P159 HydrophobicContact CB-CG 4.01Å; F35-P159 HydrophobicContact CD1-CB 3.52Å; F35-P159 HydrophobicContact CD1-CG 3.8Å; F35-P159 HydrophobicContact CE1-CB 3.8Å; F35-P159 HydrophobicContact CG-CB 3.89Å; F35-P159 HydrophobicContact CG-CG 4.04Å; F35-P159 HydrophobicContact CZ-CB 4.4Å; P159-F161 HydrophobicContact CB-CD1 4.27Å; P159-F161 HydrophobicContact CG-CD1 4.03Å; P159-F161 WeakPolarHBondContact O-CD1 3.48Å; P159-A170 HydrophobicContact CB-CB 4.27Å; P159-G172 CarbonylContact C-O 3.53Å; P159-G172 VanDerWaalsContact CA-O 3.29Å; P159-G172 WeakPolarHBondContact CA-O 3.27Å |
| 160 | L | 91.9 | Very high | 79.2 | Confident | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.4 | 150.1 | -180 | 70.1 | 0 | 0 | 0 | 107.5 | C138 A170 L171 G172 Y191 | C138-L160 HydrophobicContact CB-CD1 3.85Å; C138-L160 HydrophobicContact CB-CG 4.24Å; L160-A170 CarbonylContact O-C 3.59Å; L160-L171 PolarHBondContact O-N 3.34Å; L160-G172 PolarHBondContact N-O 2.94Å; L160-G172 PolarHBondContact O-N 2.87Å; L160-Y191 HydrophobicContact CB-CD1 3.51Å; L160-Y191 HydrophobicContact CB-CE1 3.59Å; L160-Y191 HydrophobicContact CB-CG 4.01Å; L160-Y191 HydrophobicContact CD2-CD2 4.49Å; L160-Y191 HydrophobicContact CD2-CG 4.4Å |
| 161 | F | 93.2 | Very high | 82.1 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.6 | -175.3 | 61.1 | -82.9 | 0 | 0 | 0 | 113.5 | L16 W18 I123 F139 A141 P159 Y168 F169 | L16-F161 HydrophobicContact CD1-CZ 4.16Å; L16-F161 HydrophobicContact CD2-CE2 3.6Å; L16-F161 HydrophobicContact CD2-CZ 3.48Å; L16-F161 VanDerWaalsContact CD2-CZ 3.48Å; L16-F161 HydrophobicContact CG-CZ 4.48Å; W18-F161 AromaticContact CZ2-CD2 3.83Å; W18-F161 HydrophobicContact CZ2-CD2 3.83Å; W18-F161 AromaticContact CZ2-CE2 3.87Å; W18-F161 HydrophobicContact CZ2-CE2 3.87Å; W18-F161 HydrophobicContact CZ2-CG 4.41Å; W18-F161 HydrophobicContact CZ2-CZ 4.48Å; I123-F161 HydrophobicContact CD1-CB 3.5Å; I123-F161 HydrophobicContact CD1-CG 4.2Å; F139-F161 HydrophobicContact CB-CD1 4.4Å; F139-F161 HydrophobicContact CB-CD2 3.96Å; F139-F161 HydrophobicContact CB-CE1 3.94Å; F139-F161 HydrophobicContact CB-CE2 3.45Å; F139-F161 VanDerWaalsContact CB-CE2 3.45Å; F139-F161 HydrophobicContact CB-CG 4.41Å; F139-F161 HydrophobicContact CB-CZ 3.43Å; F139-F161 VanDerWaalsContact CB-CZ 3.43Å; F139-F161 HydrophobicContact CD2-CD2 4.43Å; F139-F161 HydrophobicContact CD2-CE2 4.17Å; F139-F161 HydrophobicContact CG-CE2 4.07Å; F139-F161 HydrophobicContact CG-CZ 4.39Å; F139-F161 PolarHBondContact N-O 2.95Å; F139-F161 WeakPolarHBondContact O-CD1 3.43Å; F139-F161 PolarHBondContact O-N 2.92Å; A141-F161 HydrophobicContact CB-CE1 3.82Å; A141-F161 HydrophobicContact CB-CZ 4.17Å; P159-F161 HydrophobicContact CB-CD1 4.27Å; P159-F161 HydrophobicContact CG-CD1 4.03Å; P159-F161 WeakPolarHBondContact O-CD1 3.48Å; F161-Y168 AromaticContact CD2-CD1 3.81Å; F161-Y168 HydrophobicContact CD2-CD1 3.81Å; F161-Y168 HydrophobicContact CD2-CE1 4.37Å; F161-Y168 HydrophobicContact CE2-CD1 4.35Å; F161-F169 WeakPolarHBondContact CA-O 3.13Å; F161-F169 WeakPolarHBondContact CB-O 3.49Å |
| 162 | C | 90.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.1 | -176.9 | -32.6 | 0 | 0 | 0 | 0 | 110.2 | L135 C138 Y168 F169 L171 | L135-C162 HydrophobicContact CD1-CB 4.16Å; C138-C162 HydrophobicContact CB-CB 4.01Å; C138-C162 WeakPolarHBondContact CB-SG 3.4Å; C138-C162 WeakPolarHBondContact SG-CB 3.2Å; C138-C162 CovalentContact SG-SG 2.02Å; C138-C162 PolarHBondContact SG-SG 3.33Å; C162-Y168 WeakPolarHBondContact O-CA 3.5Å; C162-F169 PolarHBondContact N-O 2.82Å; C162-F169 VanDerWaalsContact N-O 3.07Å; C162-F169 PolarHBondContact O-N 3.32Å; C162-L171 HydrophobicContact CB-CD1 4.26Å; C162-L171 WeakPolarHBondContact SG-CD1 3.24Å |
| 163 | E | 87.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 36.8 Ų | 36.8 | 47% | 0.467 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.7 | 173 | -166.2 | 177.2 | 161.3 | 0 | 0 | 110 | R167 Y168 | E163-R167 CarbonylContact C-O 3.56Å; E163-R167 WeakPolarHBondContact CA-O 3.1Å; E163-Y168 HydrophobicContact CB-CD1 3.99Å; E163-Y168 HydrophobicContact CB-CE1 3.59Å; E163-Y168 HydrophobicContact CG-CE1 4.2Å; E163-Y168 HydrophobicContact CG-CE2 4.28Å; E163-Y168 PolarHBondContact OE2-OH 3.33Å |
| 164 | I | 84.8 | Confident | 88.7 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 117.7 | -179.9 | -54.3 | 172.5 | 0 | 0 | 0 | 106.8 | T130 L135 G166 R167 F169 | T130-I164 HydrophobicContact CG2-CD1 3.28Å; L135-I164 HydrophobicContact CD1-CD1 3.99Å; L135-I164 HydrophobicContact CD2-CD1 4.21Å; L135-I164 HydrophobicContact CD2-CG1 3.91Å; I164-G166 PolarHBondContact O-N 3.24Å; I164-R167 PolarHBondContact N-O 3.42Å; I164-R167 PolarHBondContact O-N 3.05Å; I164-R167 VanDerWaalsContact O-N 3.11Å; I164-F169 HydrophobicContact CB-CD2 3.87Å; I164-F169 HydrophobicContact CB-CE2 3.98Å; I164-F169 HydrophobicContact CD1-CB 4.48Å; I164-F169 HydrophobicContact CD1-CD2 4.12Å; I164-F169 HydrophobicContact CG1-CD2 4.24Å |
| 165 | D | 82.1 | Confident | 89.5 | Confident | 131 Ų | 131 | 33.4 Ų | 33.4 | 70% | 0.701 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 40 | -179.1 | -56.3 | -27 | 0 | 0 | 0 | 113.3 | R133 | R133-D165 IonicContact CZ-OD2 3.34Å; R133-D165 VanDerWaalsContact NH1-CG 3.3Å; R133-D165 IonicContact NH1-OD1 3.55Å; R133-D165 PolarHBondContact NH1-OD1 3.44Å; R133-D165 VanDerWaalsContact NH1-OD1 3.15Å; R133-D165 IonicContact NH1-OD2 3.17Å; R133-D165 PolarHBondContact NH1-OD2 2.83Å; R133-D165 IonicContact NH2-OD2 2.87Å |
| 166 | G | 83.4 | Confident | 89.4 | Confident | 57 Ų | 57 | 36 Ų | 36 | 59% | 0.588 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 12.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I164 | I164-G166 PolarHBondContact O-N 3.24Š|
| 167 | R | 88.4 | Confident | 88.4 | Confident | 165 Ų | 165 | 36.3 Ų | 36.3 | 62% | 0.623 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.2 | 175.1 | -63.1 | -175.5 | -176.8 | -173 | 0.7 | 111.1 | E163 I164 F169 | E163-R167 CarbonylContact C-O 3.56Å; E163-R167 WeakPolarHBondContact CA-O 3.1Å; I164-R167 PolarHBondContact N-O 3.42Å; I164-R167 PolarHBondContact O-N 3.05Å; I164-R167 VanDerWaalsContact O-N 3.11Å; R167-F169 HydrophobicContact CB-CE2 3.87Å; R167-F169 HydrophobicContact CB-CZ 4.47Å; R167-F169 WeakPolarHBondContact O-CD2 3.3Å |
| 168 | Y | 92.3 | Very high | 86.8 | Confident | 75 Ų | 75 | 37 Ų | 37 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.5 | 176.3 | -70 | -84 | 0 | 0 | 0 | 111.5 | W18 I123 C124 F139 F161 C162 E163 | W18-Y168 HydrophobicContact CH2-CD1 4.44Å; W18-Y168 AromaticContact CH2-CD2 3.81Å; W18-Y168 HydrophobicContact CH2-CD2 3.81Å; W18-Y168 AromaticContact CH2-CG 3.72Å; W18-Y168 HydrophobicContact CH2-CG 3.72Å; W18-Y168 HydrophobicContact CZ2-CG 4.29Å; W18-Y168 HydrophobicContact CZ3-CD2 4.45Å; I123-Y168 WeakPolarHBondContact CG1-O 3.33Å; C124-Y168 WeakPolarHBondContact CB-O 3.43Å; C124-Y168 PolarHBondContact N-O 2.91Å; F139-Y168 HydrophobicContact CD2-CE1 4.35Å; F139-Y168 HydrophobicContact CE2-CE1 4.31Å; F161-Y168 AromaticContact CD2-CD1 3.81Å; F161-Y168 HydrophobicContact CD2-CD1 3.81Å; F161-Y168 HydrophobicContact CD2-CE1 4.37Å; F161-Y168 HydrophobicContact CE2-CD1 4.35Å; C162-Y168 WeakPolarHBondContact O-CA 3.5Å; E163-Y168 HydrophobicContact CB-CD1 3.99Å; E163-Y168 HydrophobicContact CB-CE1 3.59Å; E163-Y168 HydrophobicContact CG-CE1 4.2Å; E163-Y168 HydrophobicContact CG-CE2 4.28Å; E163-Y168 PolarHBondContact OE2-OH 3.33Å |
| 169 | F | 92.7 | Very high | 85.1 | Confident | 33 Ų | 33 | 40 Ų | 40 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137 | 177.6 | -68.3 | -96.2 | 0 | 0 | 0 | 110.7 | C124 L125 T130 F161 C162 I164 R167 L171 | C124-F169 HydrophobicContact CB-CD1 3.35Å; C124-F169 HydrophobicContact CB-CE1 3.46Å; C124-F169 VanDerWaalsContact CB-CE1 3.46Å; C124-F169 HydrophobicContact CB-CG 3.92Å; C124-F169 HydrophobicContact CB-CZ 4.11Å; C124-F169 WeakPolarHBondContact O-CA 3.23Å; L125-F169 WeakPolarHBondContact O-CD1 3.38Å; T130-F169 HydrophobicContact CG2-CB 4.3Å; T130-F169 HydrophobicContact CG2-CD1 3.91Å; T130-F169 HydrophobicContact CG2-CD2 4.11Å; T130-F169 HydrophobicContact CG2-CE1 4.23Å; T130-F169 HydrophobicContact CG2-CE2 4.41Å; T130-F169 HydrophobicContact CG2-CG 3.85Å; T130-F169 HydrophobicContact CG2-CZ 4.47Å; F161-F169 WeakPolarHBondContact CA-O 3.13Å; F161-F169 WeakPolarHBondContact CB-O 3.49Å; C162-F169 PolarHBondContact N-O 2.82Å; C162-F169 VanDerWaalsContact N-O 3.07Å; C162-F169 PolarHBondContact O-N 3.32Å; I164-F169 HydrophobicContact CB-CD2 3.87Å; I164-F169 HydrophobicContact CB-CE2 3.98Å; I164-F169 HydrophobicContact CD1-CB 4.48Å; I164-F169 HydrophobicContact CD1-CD2 4.12Å; I164-F169 HydrophobicContact CG1-CD2 4.24Å; R167-F169 HydrophobicContact CB-CE2 3.87Å; R167-F169 HydrophobicContact CB-CZ 4.47Å; R167-F169 WeakPolarHBondContact O-CD2 3.3Å; F169-L171 HydrophobicContact CB-CD2 4.1Å; F169-L171 PolarHBondContact O-N 3.02Å |
| 170 | A | 94.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 95 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F35 I123 C124 P126 P159 L160 M194 | F35-A170 HydrophobicContact CD2-CB 4.08Å; F35-A170 HydrophobicContact CE2-CB 3.6Å; F35-A170 HydrophobicContact CZ-CB 4.02Å; I123-A170 HydrophobicContact CD1-CB 3.99Å; I123-A170 HydrophobicContact CG1-CB 4.29Å; I123-A170 HydrophobicContact CG2-CB 3.84Å; C124-A170 PolarHBondContact O-N 3.35Å; P126-A170 WeakPolarHBondContact CD-O 3.27Å; P126-A170 WeakPolarHBondContact CG-O 2.96Å; P159-A170 HydrophobicContact CB-CB 4.27Å; L160-A170 CarbonylContact O-C 3.59Å; A170-M194 VanDerWaalsContact O-CB 3.3Å; A170-M194 WeakPolarHBondContact O-CB 3.37Å; A170-M194 WeakPolarHBondContact O-CG 3.32Å |
| 171 | L | 91.4 | Very high | 81.8 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -22.2 | -178 | -59.6 | -162.3 | 0 | 0 | 0 | 114 | P126 T131 L135 L160 C162 F169 M194 | P126-L171 HydrophobicContact CB-CD2 3.63Å; P126-L171 HydrophobicContact CG-CD2 4.31Å; T131-L171 HydrophobicContact CG2-CD1 4.45Å; T131-L171 HydrophobicContact CG2-CD2 3.91Å; L135-L171 HydrophobicContact CD1-CD1 3.39Å; L160-L171 PolarHBondContact O-N 3.34Å; C162-L171 HydrophobicContact CB-CD1 4.26Å; C162-L171 WeakPolarHBondContact SG-CD1 3.24Å; F169-L171 HydrophobicContact CB-CD2 4.1Å; F169-L171 PolarHBondContact O-N 3.02Å; L171-M194 WeakPolarHBondContact O-CB 3.38Å; L171-M194 PolarHBondContact O-N 3.41Å |
| 172 | G | 91.6 | Very high | 80 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P159 L160 V192 | P159-G172 CarbonylContact C-O 3.53Å; P159-G172 VanDerWaalsContact CA-O 3.29Å; P159-G172 WeakPolarHBondContact CA-O 3.27Å; L160-G172 PolarHBondContact N-O 2.94Å; L160-G172 PolarHBondContact O-N 2.87Å; G172-V192 CarbonylContact C-O 3.57Å; G172-V192 WeakPolarHBondContact CA-O 3.4Å |
| 173 | V | 93.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.5 | 169.8 | -176 | 0 | 0 | 0 | 0 | 108.4 | F35 I49 A51 I105 S158 S175 Y191 V192 M194 | F35-V173 HydrophobicContact CE1-CG2 3.95Å; F35-V173 HydrophobicContact CZ-CG2 3.9Å; I49-V173 HydrophobicContact CG2-CG2 4Å; A51-V173 HydrophobicContact CB-CG1 4.43Å; I105-V173 HydrophobicContact CD1-CG2 4.33Å; I105-V173 HydrophobicContact CG1-CG2 4.47Å; S158-V173 WeakPolarHBondContact O-CA 3.35Å; V173-S175 PolarHBondContact O-N 2.7Å; V173-Y191 CarbonylContact O-C 3.56Å; V173-Y191 WeakPolarHBondContact O-CA 3.48Å; V173-V192 HydrophobicContact CB-CB 4.16Å; V173-V192 PolarHBondContact N-O 3.2Å; V173-V192 VanDerWaalsContact N-O 3.12Å; V173-V192 PolarHBondContact O-N 2.82Å; V173-M194 HydrophobicContact CG2-CG 4.09Å; V173-M194 HydrophobicContact CG2-SD 3.44Å; V173-M194 WeakPolarHBondContact CG2-SD 3.37Å |
| 174 | L | 90.6 | Very high | 76.5 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 118.5 | 179.2 | -177.6 | 62.9 | 0 | 0 | 0 | 110.2 | F152 D155 G157 S158 Y191 | F152-L174 HydrophobicContact CD1-CD2 4.02Å; F152-L174 HydrophobicContact CE1-CD2 4.13Å; D155-L174 HydrophobicContact CB-CD2 3.89Å; D155-L174 WeakPolarHBondContact O-CD2 3.33Å; G157-L174 PolarHBondContact N-O 3.06Å; S158-L174 PolarHBondContact O-N 3.34Å; S158-L174 WeakPolarHBondContact OG-CB 3.35Å; L174-Y191 HydrophobicContact CB-CD1 4.04Å; L174-Y191 HydrophobicContact CB-CE1 3.64Å; L174-Y191 HydrophobicContact CD1-CD1 4.48Å; L174-Y191 HydrophobicContact CD1-CD2 4.41Å; L174-Y191 HydrophobicContact CD1-CE1 4.02Å; L174-Y191 HydrophobicContact CD1-CE2 3.92Å; L174-Y191 HydrophobicContact CG-CE1 4.39Å; L174-Y191 VanDerWaalsContact N-CD1 3.34Å |
| 175 | S | 84.9 | Confident | 75 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -50.6 | 179.8 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | H53 D104 V173 F190 | H53-S175 PolarHBondContact CE1-O 2.83Å; D104-S175 WeakPolarHBondContact CB-OG 3.22Å; D104-S175 WeakPolarHBondContact OD2-CA 3.01Å; D104-S175 VanDerWaalsContact OD2-CB 3.26Å; D104-S175 WeakPolarHBondContact OD2-CB 3.42Å; D104-S175 PolarHBondContact OD2-OG 3.46Å; V173-S175 PolarHBondContact O-N 2.7Å; S175-F190 PolarHBondContact N-O 3.33Å |
| 176 | L | 78 | Confident | 73.9 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.5 | -174.9 | -71.8 | 156.9 | 0 | 0 | 0 | 111.5 | D101 F190 | D101-L176 HydrophobicContact CB-CD1 3.67Å; D101-L176 HydrophobicContact CB-CG 4.41Å; D101-L176 WeakPolarHBondContact OD2-CD1 3.5Å; L176-F190 HydrophobicContact CB-CB 4.13Å; L176-F190 HydrophobicContact CB-CD2 3.98Å; L176-F190 PolarHBondContact N-O 3.12Å; L176-F190 PolarHBondContact O-N 2.92Å |
| 177 | G | 66.9 | Low | 73 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | trans | -156.3 | 168.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 178 | P | 58.4 | Low | 72.1 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | trans | -62.3 | 138.7 | -178.3 | 25.1 | -33.5 | 0 | 0 | 0 | 111.8 | F152 N180 F188 | F152-P178 VanDerWaalsContact CD2-O 3.25Å; F152-P178 WeakPolarHBondContact CD2-O 3.28Å; F152-P178 HydrophobicContact CE2-CG 4.17Å; F152-P178 WeakPolarHBondContact CE2-O 3.12Å; P178-N180 PolarHBondContact O-N 3.45Å; P178-F188 HydrophobicContact CB-CE1 4.31Å; P178-F188 HydrophobicContact CB-CZ 4.14Å; P178-F188 WeakPolarHBondContact CD-O 3.32Å; P178-F188 HydrophobicContact CG-CE1 4.38Å; P178-F188 HydrophobicContact CG-CZ 4.41Å | ||
| 179 | A | 56.2 | Low | 71.3 | Confident | 67 Ų | 67 | 57.7 Ų | 57.7 | 55% | 0.554 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -55.3 | -32.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A151 | A151-A179 PolarHBondContact N-O 3.08Š|
| 180 | N | 58.6 | Low | 70.8 | Confident | 52 Ų | 52 | 62 Ų | 62 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | trans | -121.8 | 86.1 | 178.5 | -79.4 | 0.4 | 0 | 0 | 0 | 112.2 | R149 P178 S182 E183 | R149-N180 PolarHBondContact O-OD1 3.08Å; P178-N180 PolarHBondContact O-N 3.45Å; N180-S182 PolarHBondContact O-N 2.93Å; N180-E183 PolarHBondContact ND2-OE2 2.94Å | ||
| 181 | C | 58.1 | Low | 70.6 | Confident | 17 Ų | 17 | 65 Ų | 65 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.4 | 177 | -58.2 | 0 | 0 | 0 | 0 | 115 | A151 F152 | A151-C181 HydrophobicContact CB-CB 4.25Å; F152-C181 WeakPolarHBondContact CE2-SG 3.18Å; F152-C181 WeakPolarHBondContact CZ-SG 3.28Å |
| 182 | S | 55.2 | Low | 70.5 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -11.2 | -171.4 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | N180 | N180-S182 PolarHBondContact O-N 2.93Š|
| 183 | E | 53.2 | Low | 70.4 | Confident | 151 Ų | 151 | 71.2 Ų | 71.2 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -107.6 | -8.9 | -175.2 | -70.6 | -177.4 | 157.3 | 0 | 0 | 114 | N180 | N180-E183 PolarHBondContact ND2-OE2 2.94Š|
| 184 | E | 51 | Low | 70.2 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | trans | -87.1 | 134.3 | 177.6 | -67.9 | -169.5 | 164.2 | 0 | 0 | 111.3 | E186 F188 | E184-E186 PolarHBondContact O-N 3.02Å; E184-F188 WeakPolarHBondContact OE2-CD1 3.48Å; E184-F188 VanDerWaalsContact OE2-CE1 3.27Å; E184-F188 WeakPolarHBondContact OE2-CE1 3.38Å | ||
| 185 | E | 54.1 | Low | 70 | Confident | 204 Ų | 204 | 71.3 Ų | 71.3 | 95% | 0.953 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -62.9 | -28.6 | 174 | -73.2 | -173.2 | 158.3 | 0 | 0 | 112.1 | ||
| 186 | E | 57.9 | Low | 70.2 | Confident | 172 Ų | 172 | 75.1 Ų | 75.1 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -134.9 | 87.1 | 174.5 | -69.3 | -172 | 166 | 0 | 0 | 110.3 | E184 | E184-E186 PolarHBondContact O-N 3.02Š|
| 187 | P | 64.8 | Low | 70.8 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | trans | -67.5 | 136.4 | 179.3 | 27.2 | -33.5 | 0 | 0 | 0 | 111 | ||||
| 188 | F | 69.2 | Low | 71.8 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 45% | 0.447 | 37% | 0.374 | S | S | . | . | trans | -115 | 164.7 | 177.9 | 62.8 | -87 | 0 | 0 | 0 | 112 | P178 E184 F190 | P178-F188 HydrophobicContact CB-CE1 4.31Å; P178-F188 HydrophobicContact CB-CZ 4.14Å; P178-F188 WeakPolarHBondContact CD-O 3.32Å; P178-F188 HydrophobicContact CG-CE1 4.38Å; P178-F188 HydrophobicContact CG-CZ 4.41Å; E184-F188 WeakPolarHBondContact OE2-CD1 3.48Å; E184-F188 VanDerWaalsContact OE2-CE1 3.27Å; E184-F188 WeakPolarHBondContact OE2-CE1 3.38Å; F188-F190 HydrophobicContact CD2-CD2 4.3Å; F188-F190 AromaticContact CD2-CE2 3.78Å; F188-F190 HydrophobicContact CD2-CE2 3.78Å; F188-F190 HydrophobicContact CD2-CZ 4.01Å; F188-F190 HydrophobicContact CE2-CD2 4.2Å; F188-F190 AromaticContact CE2-CE2 3.43Å; F188-F190 HydrophobicContact CE2-CE2 3.43Å; F188-F190 VanDerWaalsContact CE2-CE2 3.43Å; F188-F190 AromaticContact CE2-CZ 3.86Å; F188-F190 HydrophobicContact CE2-CZ 3.86Å | ||
| 189 | G | 76.8 | Confident | 73.1 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | trans | -149.1 | 138.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | F | 82.8 | Confident | 74.6 | Confident | 123 Ų | 123 | 78.2 Ų | 78.2 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.4 | 178 | -61.4 | -77.5 | 0 | 0 | 0 | 110 | S175 L176 F188 | S175-F190 PolarHBondContact N-O 3.33Å; L176-F190 HydrophobicContact CB-CB 4.13Å; L176-F190 HydrophobicContact CB-CD2 3.98Å; L176-F190 PolarHBondContact N-O 3.12Å; L176-F190 PolarHBondContact O-N 2.92Å; F188-F190 HydrophobicContact CD2-CD2 4.3Å; F188-F190 AromaticContact CD2-CE2 3.78Å; F188-F190 HydrophobicContact CD2-CE2 3.78Å; F188-F190 HydrophobicContact CD2-CZ 4.01Å; F188-F190 HydrophobicContact CE2-CD2 4.2Å; F188-F190 AromaticContact CE2-CE2 3.43Å; F188-F190 HydrophobicContact CE2-CE2 3.43Å; F188-F190 VanDerWaalsContact CE2-CE2 3.43Å; F188-F190 AromaticContact CE2-CZ 3.86Å; F188-F190 HydrophobicContact CE2-CZ 3.86Å |
| 191 | Y | 88.6 | Confident | 76.2 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.4 | 176.5 | -70 | -100.6 | 0 | 0 | 0 | 110.4 | A140 L160 V173 L174 R193 | A140-Y191 WeakPolarHBondContact CB-OH 3.21Å; L160-Y191 HydrophobicContact CB-CD1 3.51Å; L160-Y191 HydrophobicContact CB-CE1 3.59Å; L160-Y191 HydrophobicContact CB-CG 4.01Å; L160-Y191 HydrophobicContact CD2-CD2 4.49Å; L160-Y191 HydrophobicContact CD2-CG 4.4Å; V173-Y191 CarbonylContact O-C 3.56Å; V173-Y191 WeakPolarHBondContact O-CA 3.48Å; L174-Y191 HydrophobicContact CB-CD1 4.04Å; L174-Y191 HydrophobicContact CB-CE1 3.64Å; L174-Y191 HydrophobicContact CD1-CD1 4.48Å; L174-Y191 HydrophobicContact CD1-CD2 4.41Å; L174-Y191 HydrophobicContact CD1-CE1 4.02Å; L174-Y191 HydrophobicContact CD1-CE2 3.92Å; L174-Y191 HydrophobicContact CG-CE1 4.39Å; L174-Y191 VanDerWaalsContact N-CD1 3.34Å; Y191-R193 PolarHBondContact O-N 3.07Å |
| 192 | V | 90.4 | Very high | 77.7 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 9% | 0.085 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 120.5 | 167.9 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | D104 I105 G172 V173 M194 Y197 | D104-V192 HydrophobicContact CB-CG2 3.94Å; D104-V192 WeakPolarHBondContact O-CG2 3.28Å; I105-V192 HydrophobicContact CB-CG1 4.43Å; G172-V192 CarbonylContact C-O 3.57Å; G172-V192 WeakPolarHBondContact CA-O 3.4Å; V173-V192 HydrophobicContact CB-CB 4.16Å; V173-V192 PolarHBondContact N-O 3.2Å; V173-V192 VanDerWaalsContact N-O 3.12Å; V173-V192 PolarHBondContact O-N 2.82Å; V192-M194 PolarHBondContact O-N 3.43Å; V192-M194 VanDerWaalsContact O-N 3.13Å; V192-Y197 HydrophobicContact CG1-CD2 3.82Å; V192-Y197 HydrophobicContact CG1-CE2 3.24Å |
| 193 | R | 88.5 | Confident | 79.1 | Confident | 136 Ų | 136 | 78 Ų | 78 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 106.9 | 178.4 | -92.1 | -172.1 | 54.8 | -170.4 | -3.7 | 112.3 | Y191 D195 N196 Y197 | Y191-R193 PolarHBondContact O-N 3.07Å; R193-D195 VanDerWaalsContact C-N 3.33Å; R193-D195 IonicContact CZ-OD1 3.64Å; R193-D195 IonicContact CZ-OD2 3.65Å; R193-D195 IonicContact NE-OD1 2.75Å; R193-D195 PolarHBondContact NE-OD1 3.06Å; R193-D195 IonicContact NE-OD2 2.73Å; R193-D195 VanDerWaalsContact NH2-CG 3.33Å; R193-D195 IonicContact NH2-OD1 3.7Å; R193-D195 PolarHBondContact NH2-OD1 2.97Å; R193-D195 VanDerWaalsContact NH2-OD1 3.17Å; R193-D195 IonicContact NH2-OD2 3.15Å; R193-D195 PolarHBondContact NH2-OD2 3.11Å; R193-D195 PolarHBondContact O-N 3.17Å; R193-N196 PolarHBondContact NH2-OD1 3.35Å; R193-N196 PolarHBondContact O-N 3.41Å; R193-Y197 WeakPolarHBondContact O-CD2 3.25Å |
| 194 | M | 90.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -66.4 | -28.9 | -173.1 | -77.3 | -69.6 | -73.8 | 0 | 0 | 114.5 | F35 I49 I105 L125 P126 A170 L171 V173 V192 N196 Y197 H198 I201 | F35-M194 HydrophobicContact CE2-CE 4.06Å; F35-M194 HydrophobicContact CZ-CE 3.93Å; F35-M194 HydrophobicContact CZ-SD 4.34Å; I49-M194 HydrophobicContact CD1-CE 3.7Å; I49-M194 HydrophobicContact CG2-CE 4.42Å; I105-M194 HydrophobicContact CD1-CE 4.5Å; I105-M194 HydrophobicContact CD1-SD 3.59Å; I105-M194 VanDerWaalsContact CD1-SD 3.59Å; L125-M194 HydrophobicContact CD2-CE 3.8Å; P126-M194 HydrophobicContact CG-CB 3.51Å; A170-M194 VanDerWaalsContact O-CB 3.3Å; A170-M194 WeakPolarHBondContact O-CB 3.37Å; A170-M194 WeakPolarHBondContact O-CG 3.32Å; L171-M194 WeakPolarHBondContact O-CB 3.38Å; L171-M194 PolarHBondContact O-N 3.41Å; V173-M194 HydrophobicContact CG2-CG 4.09Å; V173-M194 HydrophobicContact CG2-SD 3.44Å; V173-M194 WeakPolarHBondContact CG2-SD 3.37Å; V192-M194 PolarHBondContact O-N 3.43Å; V192-M194 VanDerWaalsContact O-N 3.13Å; M194-N196 PolarHBondContact O-N 3.43Å; M194-Y197 PolarHBondContact O-N 2.98Å; M194-Y197 VanDerWaalsContact O-N 3.07Å; M194-H198 PolarHBondContact O-N 3.16Å; M194-I201 HydrophobicContact CE-CD1 3.48Å; M194-I201 VanDerWaalsContact CE-CD1 3.48Å; M194-I201 HydrophobicContact SD-CD1 4.14Å |
| 195 | D | 86.6 | Confident | 82.5 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -67.4 | -23.8 | -179.5 | 66.7 | -37.8 | 0 | 0 | 0 | 113.5 | P126 T131 R193 Y197 | P126-D195 HydrophobicContact CG-CB 4.47Å; T131-D195 WeakPolarHBondContact CB-OD2 3.48Å; T131-D195 HydrophobicContact CG2-CB 3.79Å; T131-D195 WeakPolarHBondContact OG1-CB 3.32Å; T131-D195 VanDerWaalsContact OG1-CG 3.3Å; T131-D195 PolarHBondContact OG1-OD2 3.07Å; R193-D195 VanDerWaalsContact C-N 3.33Å; R193-D195 IonicContact CZ-OD1 3.64Å; R193-D195 IonicContact CZ-OD2 3.65Å; R193-D195 IonicContact NE-OD1 2.75Å; R193-D195 PolarHBondContact NE-OD1 3.06Å; R193-D195 IonicContact NE-OD2 2.73Å; R193-D195 VanDerWaalsContact NH2-CG 3.33Å; R193-D195 IonicContact NH2-OD1 3.7Å; R193-D195 PolarHBondContact NH2-OD1 2.97Å; R193-D195 VanDerWaalsContact NH2-OD1 3.17Å; R193-D195 IonicContact NH2-OD2 3.15Å; R193-D195 PolarHBondContact NH2-OD2 3.11Å; R193-D195 PolarHBondContact O-N 3.17Å; D195-Y197 VanDerWaalsContact C-N 3.31Å |
| 196 | N | 88.2 | Confident | 83.8 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -72.8 | -25.6 | 173 | -70.8 | -21.2 | 0 | 0 | 0 | 112.6 | R193 M194 | R193-N196 PolarHBondContact NH2-OD1 3.35Å; R193-N196 PolarHBondContact O-N 3.41Å; M194-N196 PolarHBondContact O-N 3.43Å |
| 197 | Y | 90.9 | Very high | 84.8 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -100 | 2.8 | -178.1 | -61.2 | -88.6 | 0 | 0 | 0 | 112.8 | H94 N103 I105 V192 R193 M194 D195 E199 W200 I201 | H94-Y197 AromaticContact CD2-CD1 3.94Å; H94-Y197 AromaticContact CD2-CE1 3.92Å; N103-Y197 WeakPolarHBondContact CA-OH 3.37Å; N103-Y197 HydrophobicContact CB-CE1 4.39Å; N103-Y197 PolarHBondContact OD1-OH 3.29Å; I105-Y197 HydrophobicContact CD1-CG 4.32Å; I105-Y197 HydrophobicContact CG2-CD1 3.79Å; I105-Y197 HydrophobicContact CG2-CE1 3.79Å; I105-Y197 HydrophobicContact CG2-CG 4.22Å; V192-Y197 HydrophobicContact CG1-CD2 3.82Å; V192-Y197 HydrophobicContact CG1-CE2 3.24Å; R193-Y197 WeakPolarHBondContact O-CD2 3.25Å; M194-Y197 PolarHBondContact O-N 2.98Å; M194-Y197 VanDerWaalsContact O-N 3.07Å; D195-Y197 VanDerWaalsContact C-N 3.31Å; Y197-E199 PolarHBondContact O-N 3.03Å; Y197-W200 HydrophobicContact CD1-CE3 4.21Å; Y197-W200 PolarHBondContact O-N 3.31Å; Y197-W200 VanDerWaalsContact O-N 3.08Å; Y197-I201 WeakPolarHBondContact O-CB 3.49Å; Y197-I201 WeakPolarHBondContact O-CG1 3.17Å; Y197-I201 PolarHBondContact O-N 3.05Å |
| 198 | H | 88.3 | Confident | 85.4 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -48.9 | -53.5 | -175.3 | -172.8 | 86.8 | 0 | 0 | 0 | 113.2 | P126 M194 I201 L202 | P126-H198 PolarHBondContact O-ND1 2.68Å; M194-H198 PolarHBondContact O-N 3.16Å; H198-I201 PolarHBondContact O-N 2.99Å; H198-L202 WeakPolarHBondContact NE2-CD1 3.23Å; H198-L202 WeakPolarHBondContact O-CG 3.26Å; H198-L202 PolarHBondContact O-N 3.24Å; H198-L202 VanDerWaalsContact O-N 3.12Å |
| 199 | E | 84.8 | Confident | 85.3 | Confident | 129 Ų | 129 | 60.3 Ų | 60.3 | 60% | 0.603 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 179.6 | -64 | -59.7 | 151.8 | 0 | 0 | 112 | Y197 I201 L202 D203 | Y197-E199 PolarHBondContact O-N 3.03Å; E199-I201 VanDerWaalsContact C-N 3.32Å; E199-I201 PolarHBondContact O-N 3Å; E199-L202 PolarHBondContact O-N 3.1Å; E199-D203 PolarHBondContact O-N 3.22Å |
| 200 | W | 89.3 | Confident | 84.3 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 177.8 | 173.9 | 80.9 | 0 | 0 | 0 | 111.8 | H94 I105 L107 Y197 D203 T204 | H94-W200 HydrophobicContact CB-CH2 3.99Å; H94-W200 HydrophobicContact CB-CZ2 3.8Å; H94-W200 AromaticContact CD2-CD1 3.66Å; H94-W200 AromaticContact CD2-CD2 3.61Å; H94-W200 AromaticContact CD2-CE2 3.51Å; H94-W200 AromaticContact CD2-CG 3.73Å; H94-W200 AromaticContact CD2-NE1 3.53Å; I105-W200 HydrophobicContact CD1-CZ3 4.12Å; I105-W200 HydrophobicContact CG1-CZ3 4.11Å; I105-W200 HydrophobicContact CG2-CH2 4.27Å; I105-W200 HydrophobicContact CG2-CZ3 3.87Å; L107-W200 HydrophobicContact CD1-CE3 4.38Å; L107-W200 HydrophobicContact CD1-CH2 3.68Å; L107-W200 HydrophobicContact CD1-CZ3 3.41Å; L107-W200 VanDerWaalsContact CD1-CZ3 3.41Å; Y197-W200 HydrophobicContact CD1-CE3 4.21Å; Y197-W200 PolarHBondContact O-N 3.31Å; Y197-W200 VanDerWaalsContact O-N 3.08Å; W200-D203 PolarHBondContact O-N 2.93Å; W200-T204 VanDerWaalsContact CE2-OG1 3.28Å; W200-T204 HydrophobicContact CZ2-CG2 4.32Å; W200-T204 PolarHBondContact NE1-OG1 3.18Å; W200-T204 WeakPolarHBondContact O-CB 3.48Å; W200-T204 PolarHBondContact O-N 2.9Å; W200-T204 PolarHBondContact O-OG1 2.9Å |
| 201 | I | 91.5 | Very high | 82.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -52.7 | 176.5 | -69.3 | 165.5 | 0 | 0 | 0 | 109.1 | I49 I105 L107 L125 M194 Y197 H198 E199 D203 T204 M205 | I49-I201 HydrophobicContact CD1-CD1 4.06Å; I49-I201 HydrophobicContact CD1-CG1 4.37Å; I49-I201 HydrophobicContact CD1-CG2 4.14Å; I105-I201 HydrophobicContact CD1-CD1 4.24Å; I105-I201 HydrophobicContact CD1-CG1 4.5Å; L107-I201 HydrophobicContact CD1-CG1 4.33Å; L107-I201 HydrophobicContact CD2-CG2 4.34Å; L125-I201 HydrophobicContact CD1-CG2 3.64Å; L125-I201 HydrophobicContact CD2-CD1 4.17Å; L125-I201 HydrophobicContact CD2-CG2 4.22Å; M194-I201 HydrophobicContact CE-CD1 3.48Å; M194-I201 VanDerWaalsContact CE-CD1 3.48Å; M194-I201 HydrophobicContact SD-CD1 4.14Å; Y197-I201 WeakPolarHBondContact O-CB 3.49Å; Y197-I201 WeakPolarHBondContact O-CG1 3.17Å; Y197-I201 PolarHBondContact O-N 3.05Å; H198-I201 PolarHBondContact O-N 2.99Å; E199-I201 VanDerWaalsContact C-N 3.32Å; E199-I201 PolarHBondContact O-N 3Å; I201-D203 VanDerWaalsContact C-N 3.34Å; I201-D203 PolarHBondContact O-N 3.05Å; I201-T204 PolarHBondContact O-N 2.85Å; I201-M205 HydrophobicContact CG2-CG 4.34Å; I201-M205 HydrophobicContact CG2-SD 3.54Å; I201-M205 VanDerWaalsContact CG2-SD 3.54Å; I201-M205 WeakPolarHBondContact O-CB 3.3Å; I201-M205 WeakPolarHBondContact O-CG 3.49Å; I201-M205 PolarHBondContact O-N 3.01Å |
| 202 | L | 89.1 | Confident | 80.1 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | -178.4 | -68.6 | -179.5 | 0 | 0 | 0 | 113 | L125 H198 E199 K206 | L125-L202 HydrophobicContact CD1-CD2 4.3Å; H198-L202 WeakPolarHBondContact NE2-CD1 3.23Å; H198-L202 WeakPolarHBondContact O-CG 3.26Å; H198-L202 PolarHBondContact O-N 3.24Å; H198-L202 VanDerWaalsContact O-N 3.12Å; E199-L202 PolarHBondContact O-N 3.1Å; L202-K206 WeakPolarHBondContact O-CE 3.19Å; L202-K206 WeakPolarHBondContact O-CG 3.33Å; L202-K206 PolarHBondContact O-N 3.25Å |
| 203 | D | 84.8 | Confident | 77.4 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.7 | -39.1 | 178.7 | -78.7 | -13.2 | 0 | 0 | 0 | 112.5 | E199 W200 I201 M205 K206 Q207 | E199-D203 PolarHBondContact O-N 3.22Å; W200-D203 PolarHBondContact O-N 2.93Å; I201-D203 VanDerWaalsContact C-N 3.34Å; I201-D203 PolarHBondContact O-N 3.05Å; D203-M205 VanDerWaalsContact C-N 3.34Å; D203-M205 PolarHBondContact O-N 3.45Å; D203-K206 PolarHBondContact O-N 3.48Å; D203-K206 IonicContact OD1-NZ 2.75Å; D203-K206 PolarHBondContact OD1-NZ 2.9Å; D203-Q207 WeakPolarHBondContact O-CG 3.31Å; D203-Q207 PolarHBondContact O-N 2.81Å |
| 204 | T | 86.9 | Confident | 74.5 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.5 | -60 | 0 | 0 | 0 | 0 | 110.8 | A92 L107 W200 I201 K206 Q207 I208 | A92-T204 HydrophobicContact CB-CG2 3.41Å; A92-T204 VanDerWaalsContact CB-CG2 3.41Å; L107-T204 HydrophobicContact CB-CG2 4.47Å; L107-T204 HydrophobicContact CD2-CG2 3.82Å; W200-T204 VanDerWaalsContact CE2-OG1 3.28Å; W200-T204 HydrophobicContact CZ2-CG2 4.32Å; W200-T204 PolarHBondContact NE1-OG1 3.18Å; W200-T204 WeakPolarHBondContact O-CB 3.48Å; W200-T204 PolarHBondContact O-N 2.9Å; W200-T204 PolarHBondContact O-OG1 2.9Å; I201-T204 PolarHBondContact O-N 2.85Å; T204-K206 PolarHBondContact O-N 3.02Å; T204-Q207 CarbonylContact O-C 3.55Å; T204-Q207 PolarHBondContact O-N 2.88Å; T204-I208 VanDerWaalsContact O-CB 3.3Å; T204-I208 WeakPolarHBondContact O-CB 3.45Å; T204-I208 PolarHBondContact O-N 3.34Å |
| 205 | M | 88.3 | Confident | 71.8 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.2 | -33 | 176.2 | -72.8 | 168.2 | 81.3 | 0 | 0 | 113.1 | V37 D38 N39 I47 L107 I201 D203 | V37-M205 HydrophobicContact CG2-CE 4.15Å; D38-M205 WeakPolarHBondContact O-CE 3.47Å; N39-M205 HydrophobicContact CB-CE 3.38Å; I47-M205 HydrophobicContact CB-CE 4.02Å; I47-M205 HydrophobicContact CG1-CE 3.8Å; I47-M205 HydrophobicContact CG1-CG 4.21Å; I47-M205 HydrophobicContact CG2-CE 4.1Å; I47-M205 HydrophobicContact CG2-CG 4.08Å; I47-M205 HydrophobicContact CG2-SD 4.44Å; L107-M205 HydrophobicContact CD2-CG 3.68Å; I201-M205 HydrophobicContact CG2-CG 4.34Å; I201-M205 HydrophobicContact CG2-SD 3.54Å; I201-M205 VanDerWaalsContact CG2-SD 3.54Å; I201-M205 WeakPolarHBondContact O-CB 3.3Å; I201-M205 WeakPolarHBondContact O-CG 3.49Å; I201-M205 PolarHBondContact O-N 3.01Å; D203-M205 VanDerWaalsContact C-N 3.34Å; D203-M205 PolarHBondContact O-N 3.45Å |
| 206 | K | 81.7 | Confident | 68.9 | Low | 152 Ų | 152 | 79.7 Ų | 79.7 | 66% | 0.661 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -73.3 | -29.4 | 174.6 | -63.6 | 165.8 | -161.5 | 155.3 | 0 | 112.5 | L202 D203 T204 | L202-K206 WeakPolarHBondContact O-CE 3.19Å; L202-K206 WeakPolarHBondContact O-CG 3.33Å; L202-K206 PolarHBondContact O-N 3.25Å; D203-K206 PolarHBondContact O-N 3.48Å; D203-K206 IonicContact OD1-NZ 2.75Å; D203-K206 PolarHBondContact OD1-NZ 2.9Å; T204-K206 PolarHBondContact O-N 3.02Å |
| 207 | Q | 78.8 | Confident | 66 | Low | 111 Ų | 111 | 83.8 Ų | 83.8 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -107.4 | -16.9 | -168.7 | -65 | -177.7 | 20 | 0 | 0 | 114.7 | D203 T204 E209 T210 V211 | D203-Q207 WeakPolarHBondContact O-CG 3.31Å; D203-Q207 PolarHBondContact O-N 2.81Å; T204-Q207 CarbonylContact O-C 3.55Å; T204-Q207 PolarHBondContact O-N 2.88Å; Q207-E209 PolarHBondContact O-N 2.93Å; Q207-T210 WeakPolarHBondContact O-CA 3.49Å; Q207-T210 PolarHBondContact O-N 2.71Å; Q207-T210 PolarHBondContact O-OG1 3.11Å; Q207-V211 PolarHBondContact O-N 2.83Å |
| 208 | I | 78.4 | Confident | 63 | Low | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23 | -172 | -165.7 | 163.2 | 0 | 0 | 0 | 113.8 | I47 N90 A92 L107 K109 T204 T210 | I47-I208 HydrophobicContact CD1-CG2 4.25Å; N90-I208 PolarHBondContact ND2-O 2.77Å; A92-I208 HydrophobicContact CB-CD1 3.99Å; A92-I208 HydrophobicContact CB-CG1 4.09Å; L107-I208 HydrophobicContact CB-CD1 3.87Å; L107-I208 WeakPolarHBondContact O-CD1 3.06Å; K109-I208 HydrophobicContact CB-CD1 4.01Å; K109-I208 HydrophobicContact CB-CG1 4.15Å; K109-I208 HydrophobicContact CB-CG2 4.25Å; K109-I208 HydrophobicContact CD-CG2 3.97Å; K109-I208 HydrophobicContact CG-CG2 4.31Å; T204-I208 VanDerWaalsContact O-CB 3.3Å; T204-I208 WeakPolarHBondContact O-CB 3.45Å; T204-I208 PolarHBondContact O-N 3.34Å; I208-T210 VanDerWaalsContact C-N 3.33Å |
| 209 | E | 66.6 | Low | 60.3 | Low | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -25.1 | 173 | -60.9 | -147.7 | 125.1 | 0 | 0 | 114 | K89 Q207 | K89-E209 IonicContact NZ-OE1 3.21Å; K89-E209 PolarHBondContact NZ-OE1 2.95Å; Q207-E209 PolarHBondContact O-N 2.93Å |
| 210 | T | 54.7 | Low | 57.7 | Low | 106 Ų | 106 | 89.7 Ų | 89.7 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -8.4 | -174.8 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | Q207 I208 P212 | Q207-T210 WeakPolarHBondContact O-CA 3.49Å; Q207-T210 PolarHBondContact O-N 2.71Å; Q207-T210 PolarHBondContact O-OG1 3.11Å; I208-T210 VanDerWaalsContact C-N 3.33Å; T210-P212 WeakPolarHBondContact O-CD 3.19Å |
| 211 | V | 44.6 | Very low | 55 | Low | 46 Ų | 46 | 90.7 Ų | 90.7 | 28% | 0.279 | 48% | 0.483 | S | S | . | . | trans | -62.7 | 109.3 | 176 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | N90 Q207 | N90-V211 PolarHBondContact ND2-O 2.9Å; Q207-V211 PolarHBondContact O-N 2.83Å | ||
| 212 | P | 39.9 | Very low | 52.2 | Low | 101 Ų | 101 | 94.9 Ų | 94.9 | 66% | 0.656 | 50% | 0.504 | S | S | * | . | trans | -65.6 | 145.8 | 173.4 | -10.5 | 27.8 | 0 | 0 | 0 | 108.1 | T210 R214 | T210-P212 WeakPolarHBondContact O-CD 3.19Å; P212-R214 PolarHBondContact O-N 3.37Å | ||
| 213 | D | 32.5 | Very low | 49.2 | Very low | 130 Ų | 130 | 97.1 Ų | 97.1 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | trans | -45.3 | 117.7 | 167.2 | -163.7 | 7.6 | 0 | 0 | 0 | 108.1 | S215 | D213-S215 PolarHBondContact O-N 3.28Å; D213-S215 PolarHBondContact OD1-OG 2.83Å; D213-S215 PolarHBondContact OD2-OG 2.82Å | ||
| 214 | R | 28.7 | Very low | 46.8 | Very low | 203 Ų | 203 | 97 Ų | 97 | 77% | 0.766 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -75.6 | 27.9 | -177.5 | -90.1 | -170.3 | 177.2 | -178.2 | 2.7 | 111.7 | P212 | P212-R214 PolarHBondContact O-N 3.37Š|
| 215 | S | 33.4 | Very low | 44.2 | Very low | 64 Ų | 64 | 99.9 Ų | 99.9 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | trans | -91.4 | 96.6 | 161.3 | 53.8 | 0 | 0 | 0 | 0 | 107.4 | D213 | D213-S215 PolarHBondContact O-N 3.28Å; D213-S215 PolarHBondContact OD1-OG 2.83Å; D213-S215 PolarHBondContact OD2-OG 2.82Å | ||
| 216 | D | 26 | Very low | 41.5 | Very low | 135 Ų | 135 | 102.2 Ų | 102.2 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | trans | 144.2 | 50.3 | 159.2 | -74.5 | -21.5 | 0 | 0 | 0 | 114.6 | ||||
| 217 | H | 26.5 | Very low | 39.2 | Very low | 178 Ų | 178 | 99.5 Ų | 99.5 | 82% | 0.824 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -114.5 | 85.9 | 163.3 | -77.7 | -10.7 | 0 | 0 | 0 | 110.8 | ||
| 218 | N | 29.1 | Very low | 37 | Very low | 133 Ų | 133 | 105.1 Ų | 105.1 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 155.2 | 6.6 | 138.9 | -81.9 | -21.9 | 0 | 0 | 0 | 116 | T220 | N218-T220 PolarHBondContact O-N 2.95Š|
| 219 | V | 30.4 | Very low | 34.7 | Very low | 56 Ų | 56 | 116.1 Ų | 116.1 | 34% | 0.339 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.4 | -25 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | A221 I222 M223 | V219-A221 VanDerWaalsContact C-N 3.31Å; V219-A221 PolarHBondContact O-N 2.94Å; V219-I222 PolarHBondContact O-N 3.29Å; V219-M223 HydrophobicContact CG1-CG 3.86Å; V219-M223 PolarHBondContact O-N 2.89Å |
| 220 | T | 30.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65 | -30.8 | -174.7 | -23.5 | 0 | 0 | 0 | 0 | 113.6 | N218 A224 | N218-T220 PolarHBondContact O-N 2.95Å; T220-A224 PolarHBondContact O-N 3.09Å |
| 221 | A | 33.2 | Very low | 31.8 | Very low | 79 Ų | 79 | 116.4 Ų | 116.4 | 65% | 0.653 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.9 | -33.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V219 | V219-A221 VanDerWaalsContact C-N 3.31Å; V219-A221 PolarHBondContact O-N 2.94Å |
| 222 | I | 31.3 | Very low | 31 | Very low | 88 Ų | 88 | 120.3 Ų | 120.3 | 45% | 0.451 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -76.9 | -42.4 | -180 | -58 | 177.2 | 0 | 0 | 0 | 109.8 | V219 A224 S225 V226 | V219-I222 PolarHBondContact O-N 3.29Å; I222-A224 VanDerWaalsContact C-N 3.29Å; I222-A224 PolarHBondContact O-N 3.11Å; I222-S225 WeakPolarHBondContact O-CB 3.1Å; I222-S225 PolarHBondContact O-N 2.72Å; I222-S225 PolarHBondContact O-OG 2.92Å; I222-V226 PolarHBondContact O-N 2.88Å |
| 223 | M | 27.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 53% | 0.532 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -60.6 | -33.9 | 177.3 | -84.2 | -69.1 | -164.7 | 0 | 0 | 113.5 | V219 S225 V226 T227 | V219-M223 HydrophobicContact CG1-CG 3.86Å; V219-M223 PolarHBondContact O-N 2.89Å; M223-S225 PolarHBondContact O-N 3.12Å; M223-V226 PolarHBondContact O-N 3.44Å; M223-T227 WeakPolarHBondContact O-CB 3.49Å; M223-T227 PolarHBondContact O-N 3.05Å; M223-T227 PolarHBondContact O-OG1 2.59Å |
| 224 | A | 33.2 | Very low | 30.6 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.4 | -29.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T220 I222 | T220-A224 PolarHBondContact O-N 3.09Å; I222-A224 VanDerWaalsContact C-N 3.29Å; I222-A224 PolarHBondContact O-N 3.11Å |
| 225 | S | 33.9 | Very low | 30.9 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 53% | 0.531 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -79.2 | -35.9 | 176.5 | 80 | 0 | 0 | 0 | 0 | 112.6 | I222 M223 | I222-S225 WeakPolarHBondContact O-CB 3.1Å; I222-S225 PolarHBondContact O-N 2.72Å; I222-S225 PolarHBondContact O-OG 2.92Å; M223-S225 PolarHBondContact O-N 3.12Å |
| 226 | V | 31.6 | Very low | 30.9 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 44% | 0.436 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -74.2 | -39.1 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | I222 M223 R228 R229 | I222-V226 PolarHBondContact O-N 2.88Å; M223-V226 PolarHBondContact O-N 3.44Å; V226-R228 PolarHBondContact O-N 2.67Å; V226-R228 VanDerWaalsContact O-N 3.16Å; V226-R229 PolarHBondContact O-N 3.01Å |
| 227 | T | 33.2 | Very low | 31.4 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 59% | 0.589 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64 | -25.4 | -176.7 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | M223 R229 | M223-T227 WeakPolarHBondContact O-CB 3.49Å; M223-T227 PolarHBondContact O-N 3.05Å; M223-T227 PolarHBondContact O-OG1 2.59Å; T227-R229 VanDerWaalsContact C-N 3.3Å; T227-R229 PolarHBondContact O-N 2.68Å |
| 228 | R | 32.7 | Very low | 32.4 | Very low | 229 Ų | 229 | 123.9 Ų | 123.9 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -19.8 | 176.7 | -120.8 | -178.1 | -156.9 | 172.8 | 7.4 | 114 | V226 | V226-R228 PolarHBondContact O-N 2.67Å; V226-R228 VanDerWaalsContact O-N 3.16Å |
| 229 | R | 30.5 | Very low | 34.1 | Very low | 230 Ų | 230 | 120.1 Ų | 120.1 | 87% | 0.868 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -13.3 | -178 | -74.5 | -172.2 | 178.6 | -174 | 1.2 | 114.5 | V226 T227 | V226-R229 PolarHBondContact O-N 3.01Å; T227-R229 VanDerWaalsContact C-N 3.3Å; T227-R229 PolarHBondContact O-N 2.68Å |
| 230 | L | 31.8 | Very low | 36.1 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -110.8 | 7.2 | -175.6 | -69.6 | 169.9 | 0 | 0 | 0 | 114.8 | T232 | L230-T232 PolarHBondContact O-N 3.32Š|
| 231 | A | 27.8 | Very low | 38.4 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | trans | -78.2 | 64 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 232 | T | 28.5 | Very low | 40.8 | Very low | 128 Ų | 128 | 121 Ų | 121 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -139.1 | 122.3 | 158.7 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | L230 | L230-T232 PolarHBondContact O-N 3.32Š| ||
| 233 | K | 30.1 | Very low | 43.3 | Very low | 197 Ų | 197 | 118.5 Ų | 118.5 | 86% | 0.857 | 64% | 0.643 | S | S | * | * | trans | 81.5 | 121.5 | 175.4 | -70.9 | -174.8 | 176.7 | 178 | 0 | 118.9 | ||||
| 234 | P | 33.1 | Very low | 46.1 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 81% | 0.805 | 63% | 0.627 | S | S | * | * | trans | -86.4 | 116 | 176.8 | 33.6 | -28.3 | 0 | 0 | 0 | 110.1 | ||||
| 235 | N | 34.4 | Very low | 48.5 | Very low | 141 Ų | 141 | 113.8 Ų | 113.8 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | trans | -130.2 | 130.6 | 162.4 | -84.3 | -28.3 | 0 | 0 | 0 | 107.5 | ||||
| 236 | T | 33.9 | Very low | 50.8 | Low | 121 Ų | 121 | 112.2 Ų | 112.2 | 74% | 0.742 | 60% | 0.598 | S | S | * | * | trans | -42.6 | 139.4 | 169.9 | 43.5 | 0 | 0 | 0 | 0 | 111 | K238 | T236-K238 PolarHBondContact O-N 2.82Š| ||
| 237 | P | 35.5 | Very low | 53 | Low | 130 Ų | 130 | 110.2 Ų | 110.2 | 84% | 0.844 | 59% | 0.589 | S | S | * | * | trans | -56.9 | 115.9 | -177 | -15.1 | 24.6 | 0 | 0 | 0 | 109.8 | ||||
| 238 | K | 48.8 | Very low | 54.8 | Low | 174 Ų | 174 | 109.2 Ų | 109.2 | 76% | 0.757 | 58% | 0.578 | S | S | * | * | trans | -65.7 | 134.9 | 172.2 | -74.4 | -176.8 | 174.9 | -176.8 | 0 | 108 | T236 | T236-K238 PolarHBondContact O-N 2.82Š| ||
| 239 | S | 63.4 | Low | 56.7 | Low | 53 Ų | 53 | 101.1 Ų | 101.1 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | trans | -48.7 | 140 | 168.3 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | Y241 Q305 | S239-Y241 PolarHBondContact O-N 3.5Å; S239-Y241 PolarHBondContact OG-N 2.87Å; S239-Y241 PolarHBondContact OG-O 2.81Å; S239-Q305 PolarHBondContact O-NE2 3.34Å | ||
| 240 | P | 73.8 | Confident | 58.4 | Low | 101 Ų | 101 | 97.2 Ų | 97.2 | 66% | 0.656 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -70 | -6.2 | 176.8 | 30.2 | -34.6 | 0 | 0 | 0 | 112.9 | F570 | P240-F570 HydrophobicContact CB-CE2 4.21Š|
| 241 | Y | 79.4 | Confident | 60.2 | Low | 50 Ų | 50 | 91.9 Ų | 91.9 | 20% | 0.196 | 52% | 0.522 | C | S | . | . | trans | -108 | 134.4 | 179.5 | -50.5 | -83.5 | 0 | 0 | 0 | 111.8 | S239 M244 Q305 F570 H572 | S239-Y241 PolarHBondContact O-N 3.5Å; S239-Y241 PolarHBondContact OG-N 2.87Å; S239-Y241 PolarHBondContact OG-O 2.81Å; Y241-M244 HydrophobicContact CD1-SD 3.93Å; Y241-M244 HydrophobicContact CD2-CB 4.49Å; Y241-M244 HydrophobicContact CD2-SD 4.13Å; Y241-M244 HydrophobicContact CE1-SD 3.9Å; Y241-M244 HydrophobicContact CE2-SD 4.12Å; Y241-M244 HydrophobicContact CG-CB 4.31Å; Y241-M244 HydrophobicContact CG-SD 4.06Å; Y241-Q305 PolarHBondContact O-NE2 2.92Å; Y241-F570 HydrophobicContact CD1-CZ 4.24Å; Y241-F570 AromaticContact CE1-CE1 3.87Å; Y241-F570 HydrophobicContact CE1-CE1 3.87Å; Y241-F570 AromaticContact CE1-CZ 3.44Å; Y241-F570 HydrophobicContact CE1-CZ 3.44Å; Y241-F570 VanDerWaalsContact CE1-CZ 3.44Å; Y241-F570 AromaticContact CZ-CZ 3.77Å; Y241-H572 AromaticContact CE1-ND1 3.6Å; Y241-H572 AromaticContact CZ-ND1 3.46Å; Y241-H572 PolarHBondContact OH-CE1 3.41Å; Y241-H572 PolarHBondContact OH-ND1 3.26Å | ||
| 242 | D | 83.4 | Confident | 62.6 | Low | 126 Ų | 126 | 89.6 Ų | 89.6 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -73.6 | -34.9 | 162 | -67.3 | -30.1 | 0 | 0 | 0 | 111.1 | Q305 Y306 | D242-Q305 CarbonylContact O-C 3.48Å; D242-Q305 VanDerWaalsContact O-CA 3.3Å; D242-Q305 WeakPolarHBondContact O-CA 3.49Å; D242-Y306 PolarHBondContact O-N 2.9Å |
| 243 | T | 83.6 | Confident | 65.4 | Low | 34 Ų | 34 | 83.5 Ų | 83.5 | 21% | 0.209 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 128.9 | 176.6 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | V245 P298 Y306 M591 | T243-V245 HydrophobicContact CG2-CG2 4.08Å; T243-P298 HydrophobicContact CG2-CG 4.12Å; T243-P298 WeakPolarHBondContact OG1-CG 3.39Å; T243-Y306 CarbonylContact C-O 3.46Å; T243-Y306 VanDerWaalsContact CA-O 3.27Å; T243-Y306 WeakPolarHBondContact CA-O 3.4Å; T243-Y306 HydrophobicContact CG2-CD1 4.17Å; T243-M591 HydrophobicContact CG2-CE 3.89Å; T243-M591 HydrophobicContact CG2-SD 4.43Å |
| 244 | M | 86 | Confident | 68.3 | Low | 40 Ų | 40 | 76.3 Ų | 76.3 | 20% | 0.197 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 112.8 | 172.2 | -171.1 | 78.7 | -153.6 | 0 | 0 | 109.7 | Y241 T246 Y306 S307 S308 H572 | Y241-M244 HydrophobicContact CD1-SD 3.93Å; Y241-M244 HydrophobicContact CD2-CB 4.49Å; Y241-M244 HydrophobicContact CD2-SD 4.13Å; Y241-M244 HydrophobicContact CE1-SD 3.9Å; Y241-M244 HydrophobicContact CE2-SD 4.12Å; Y241-M244 HydrophobicContact CG-CB 4.31Å; Y241-M244 HydrophobicContact CG-SD 4.06Å; M244-T246 HydrophobicContact CE-CG2 3.84Å; M244-T246 HydrophobicContact CG-CG2 4.47Å; M244-Y306 PolarHBondContact N-O 3.36Å; M244-S307 WeakPolarHBondContact O-CA 3.35Å; M244-S307 PolarHBondContact O-OG 3.29Å; M244-S308 PolarHBondContact O-N 2.84Å; M244-S308 VanDerWaalsContact O-N 3.09Å; M244-H572 WeakPolarHBondContact CE-CE1 3.48Å |
| 245 | V | 83.1 | Confident | 71.2 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.8 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | T243 V297 Y306 S308 F312 | T243-V245 HydrophobicContact CG2-CG2 4.08Å; V245-V297 HydrophobicContact CG2-CG1 4.24Å; V245-Y306 HydrophobicContact CG2-CD1 4.23Å; V245-Y306 HydrophobicContact CG2-CE1 3.94Å; V245-S308 CarbonylContact C-O 3.54Å; V245-S308 WeakPolarHBondContact CA-O 3.3Å; V245-F312 HydrophobicContact CG1-CE1 3.7Å; V245-F312 HydrophobicContact CG1-CZ 4.14Å |
| 246 | T | 82.4 | Confident | 74.2 | Confident | 43 Ų | 43 | 64 Ų | 64 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.9 | 177.2 | 55.7 | 0 | 0 | 0 | 0 | 110.1 | M244 S308 S309 G310 | M244-T246 HydrophobicContact CE-CG2 3.84Å; M244-T246 HydrophobicContact CG-CG2 4.47Å; T246-S308 PolarHBondContact N-O 3.09Å; T246-S309 CarbonylContact O-C 3.46Å; T246-S309 VanDerWaalsContact O-CA 3.3Å; T246-S309 WeakPolarHBondContact O-CA 3.37Å; T246-S309 WeakPolarHBondContact OG1-CA 3.23Å; T246-S309 VanDerWaalsContact OG1-CB 3.23Å; T246-S309 WeakPolarHBondContact OG1-CB 3.39Å; T246-G310 PolarHBondContact O-N 2.69Å |
| 247 | A | 78.2 | Confident | 77.2 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | trans | -132 | 132.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G310 F312 | A247-G310 VanDerWaalsContact CA-O 3.24Å; A247-G310 WeakPolarHBondContact CA-O 3.41Å; A247-G310 VanDerWaalsContact CB-O 3.29Å; A247-G310 WeakPolarHBondContact CB-O 3.32Å; A247-F312 HydrophobicContact CB-CD1 3.83Å; A247-F312 HydrophobicContact CB-CD2 3.48Å; A247-F312 VanDerWaalsContact CB-CD2 3.48Å; A247-F312 HydrophobicContact CB-CE1 3.67Å; A247-F312 HydrophobicContact CB-CE2 3.32Å; A247-F312 HydrophobicContact CB-CG 3.74Å; A247-F312 HydrophobicContact CB-CZ 3.42Å; A247-F312 VanDerWaalsContact CB-CZ 3.42Å | ||
| 248 | H | 70.9 | Confident | 80.1 | Confident | 75 Ų | 75 | 53.9 Ų | 53.9 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | trans | -87.1 | 126.2 | 171.2 | -60.1 | -70.2 | 0 | 0 | 0 | 109.1 | ||||
| 249 | L | 72.3 | Confident | 82.4 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | trans | -87.7 | 150.6 | 172.9 | -59.2 | 178.2 | 0 | 0 | 0 | 109.9 | S251 A253 V283 L595 | L249-S251 WeakPolarHBondContact CB-O 3.34Å; L249-S251 PolarHBondContact O-N 2.67Å; L249-A253 HydrophobicContact CD1-CB 3.84Å; L249-V283 HydrophobicContact CD1-CG1 3.77Å; L249-V283 HydrophobicContact CD2-CG1 4.31Å; L249-L595 HydrophobicContact CD1-CD1 3.5Å | ||
| 250 | N | 66.5 | Low | 83.8 | Confident | 147 Ų | 147 | 46 Ų | 46 | 79% | 0.786 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.6 | -24.8 | 178.1 | -68.1 | -19.4 | 0 | 0 | 0 | 112.7 | ||
| 251 | S | 69.5 | Low | 84.2 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -139 | 153.1 | 174.8 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | L249 D287 | L249-S251 WeakPolarHBondContact CB-O 3.34Å; L249-S251 PolarHBondContact O-N 2.67Å; S251-D287 WeakPolarHBondContact CB-OD2 3.36Å; S251-D287 PolarHBondContact OG-N 3.3Å |
| 252 | A | 78.6 | Confident | 83.7 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | trans | -62.4 | 154.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | S285 L286 | A252-S285 WeakPolarHBondContact O-CA 3.25Å; A252-L286 HydrophobicContact CB-CD1 3.61Å; A252-L286 HydrophobicContact CB-CG 4.3Å; A252-L286 WeakPolarHBondContact O-CB 3.38Å; A252-L286 PolarHBondContact O-N 3.28Å | ||
| 253 | A | 86.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L249 V283 G284 S580 L595 | L249-A253 HydrophobicContact CD1-CB 3.84Å; A253-V283 HydrophobicContact CB-CG1 3.76Å; A253-G284 WeakPolarHBondContact CA-O 3.3Å; A253-G284 WeakPolarHBondContact CB-O 3.43Å; A253-S580 PolarHBondContact O-OG 3.29Å; A253-L595 HydrophobicContact CB-CD1 4.06Å; A253-L595 HydrophobicContact CB-CD2 3.65Å; A253-L595 HydrophobicContact CB-CG 4.31Å; A253-L595 WeakPolarHBondContact O-CD2 3.41Å; A253-L595 WeakPolarHBondContact O-CG 2.99Å |
| 254 | F | 90 | Very high | 80.8 | Confident | 47 Ų | 47 | 60.8 Ų | 60.8 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -15.1 | -179.2 | -81.1 | -53.5 | 0 | 0 | 0 | 113.6 | G284 L286 D581 I597 | F254-G284 PolarHBondContact N-O 2.77Å; F254-L286 HydrophobicContact CD2-CD2 3.37Å; F254-L286 HydrophobicContact CD2-CG 4.32Å; F254-L286 HydrophobicContact CE2-CD2 3.06Å; F254-L286 HydrophobicContact CE2-CG 4.25Å; F254-L286 HydrophobicContact CG-CD2 4.38Å; F254-L286 HydrophobicContact CZ-CD2 3.84Å; F254-D581 WeakPolarHBondContact O-CB 3.39Å; F254-I597 HydrophobicContact CD1-CD1 3.84Å; F254-I597 HydrophobicContact CE1-CB 4.47Å; F254-I597 HydrophobicContact CE1-CD1 3.09Å; F254-I597 HydrophobicContact CE1-CG1 4.34Å; F254-I597 HydrophobicContact CE1-CG2 4.4Å; F254-I597 HydrophobicContact CE2-CD1 4.19Å; F254-I597 HydrophobicContact CZ-CD1 3.28Å |
| 255 | S | 95.3 | Very high | 79.1 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129 | -172.8 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | V283 G284 A327 R328 D581 | S255-V283 CarbonylContact O-C 3.58Å; S255-V283 VanDerWaalsContact O-CA 3.31Å; S255-V283 WeakPolarHBondContact O-CA 3.33Å; S255-G284 PolarHBondContact N-O 2.88Å; S255-G284 PolarHBondContact O-N 3.49Å; S255-A327 PolarHBondContact OG-N 3.42Å; S255-A327 PolarHBondContact OG-O 3.5Å; S255-R328 PolarHBondContact OG-NH1 3.24Å; S255-D581 WeakPolarHBondContact CA-OD2 3.41Å |
| 256 | V | 96.8 | Very high | 77.1 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.6 | 173.2 | 69.2 | 0 | 0 | 0 | 0 | 110.4 | L281 L282 V283 R328 D581 A593 L595 | V256-L281 HydrophobicContact CG2-CD2 3.81Å; V256-L282 CarbonylContact C-O 3.59Å; V256-L282 VanDerWaalsContact CA-O 3.29Å; V256-L282 WeakPolarHBondContact CA-O 3.22Å; V256-V283 HydrophobicContact CG2-CG2 4.5Å; V256-R328 PolarHBondContact O-NH1 3.01Å; V256-D581 HydrophobicContact CG1-CB 4.01Å; V256-D581 PolarHBondContact N-OD2 2.79Å; V256-D581 VanDerWaalsContact O-OD2 3.1Å; V256-A593 HydrophobicContact CG2-CB 4.07Å; V256-L595 HydrophobicContact CB-CB 4.34Å; V256-L595 HydrophobicContact CB-CD2 4.31Å; V256-L595 HydrophobicContact CG1-CB 4.05Å |
| 257 | Q | 97.6 | Very high | 75.2 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 130.1 | 171.7 | -160.3 | -176.7 | 25.6 | 0 | 0 | 112.1 | L281 L282 R328 Y329 S583 | Q257-L281 WeakPolarHBondContact O-CA 3.24Å; Q257-L282 HydrophobicContact CB-CB 4.39Å; Q257-L282 PolarHBondContact N-O 3.1Å; Q257-L282 PolarHBondContact O-N 2.87Å; Q257-R328 VanDerWaalsContact CD-CD 3.48Å; Q257-R328 VanDerWaalsContact OE1-CA 3.25Å; Q257-Y329 HydrophobicContact CG-CD1 4.13Å; Q257-Y329 HydrophobicContact CG-CE1 3.94Å; Q257-S583 WeakPolarHBondContact CA-OG 3.3Å |
| 258 | W | 96.9 | Very high | 73.4 | Confident | 12 Ų | 12 | 71 Ų | 71 | 5% | 0.045 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 132.3 | 168 | -73.6 | 104.6 | 0 | 0 | 0 | 111.3 | R279 L281 V297 Y329 S583 W584 D585 M591 A593 | W258-R279 HydrophobicContact CE3-CB 3.9Å; W258-R279 HydrophobicContact CH2-CB 4.23Å; W258-R279 HydrophobicContact CZ3-CB 3.35Å; W258-R279 HydrophobicContact CZ3-CG 4.4Å; W258-L281 HydrophobicContact CB-CD2 4.48Å; W258-L281 HydrophobicContact CD2-CD2 3.37Å; W258-L281 HydrophobicContact CD2-CG 4.04Å; W258-L281 HydrophobicContact CE3-CD1 4.48Å; W258-L281 HydrophobicContact CE3-CD2 3.53Å; W258-L281 HydrophobicContact CE3-CG 3.66Å; W258-L281 HydrophobicContact CG-CD2 3.79Å; W258-L281 HydrophobicContact CH2-CD1 3.84Å; W258-L281 HydrophobicContact CH2-CD2 4.13Å; W258-L281 HydrophobicContact CH2-CG 3.93Å; W258-L281 HydrophobicContact CZ2-CD1 4.19Å; W258-L281 HydrophobicContact CZ2-CD2 4.01Å; W258-L281 HydrophobicContact CZ2-CG 4.29Å; W258-L281 HydrophobicContact CZ3-CD1 3.98Å; W258-L281 HydrophobicContact CZ3-CD2 3.88Å; W258-L281 HydrophobicContact CZ3-CG 3.57Å; W258-V297 HydrophobicContact CH2-CG1 4.44Å; W258-Y329 WeakPolarHBondContact O-CE1 3.38Å; W258-S583 PolarHBondContact N-OG 3.03Å; W258-S583 PolarHBondContact NE1-O 3.4Å; W258-W584 VanDerWaalsContact CD1-C 3.45Å; W258-D585 HydrophobicContact CB-CB 4.47Å; W258-D585 HydrophobicContact CD2-CB 4.18Å; W258-D585 HydrophobicContact CG-CB 3.95Å; W258-M591 HydrophobicContact CZ2-CG 4.1Å; W258-A593 HydrophobicContact CZ2-CB 4.02Å |
| 259 | L | 95.7 | Very high | 71.9 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 147.3 | 168.4 | -75.6 | 84.9 | 0 | 0 | 0 | 110.6 | R279 R280 L282 L292 Y329 | L259-R279 PolarHBondContact O-NH2 3.17Å; L259-R279 VanDerWaalsContact O-NH2 3.13Å; L259-R280 HydrophobicContact CB-CB 4.25Å; L259-R280 HydrophobicContact CD1-CB 4.34Å; L259-R280 PolarHBondContact N-O 2.78Å; L259-L282 HydrophobicContact CD1-CB 3.82Å; L259-L292 HydrophobicContact CD1-CD1 3.6Å; L259-L292 HydrophobicContact CD2-CD1 3.88Å; L259-L292 HydrophobicContact CG-CD1 4.41Å; L259-Y329 HydrophobicContact CG-CD1 4.47Å |
| 260 | P | 92.6 | Very high | 70.5 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 29% | 0.286 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 160.4 | 175.8 | 28.7 | -35.5 | 0 | 0 | 0 | 112.5 | N262 Y329 P334 D587 | P260-N262 PolarHBondContact O-N 3.5Å; P260-Y329 HydrophobicContact CG-CE2 4.26Å; P260-P334 HydrophobicContact CG-CB 3.68Å; P260-P334 HydrophobicContact CG-CG 3.38Å; P260-D587 WeakPolarHBondContact CA-OD2 3.38Å |
| 261 | E | 82.5 | Confident | 69.2 | Low | 117 Ų | 117 | 80.1 Ų | 80.1 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 135.1 | -178.9 | -158.3 | 173.4 | -179.6 | 0 | 0 | 111.7 | R263 R279 D587 | E261-R263 PolarHBondContact O-N 2.8Å; E261-R263 VanDerWaalsContact O-N 3.07Å; E261-R279 VanDerWaalsContact N-NH1 3.13Å; E261-D587 PolarHBondContact N-OD2 3.25Å |
| 262 | N | 68.5 | Low | 68 | Low | 70 Ų | 70 | 81.6 Ų | 81.6 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | trans | -77.7 | 99.6 | 178.2 | -154.3 | -0.6 | 0 | 0 | 0 | 109.5 | P260 Y264 S265 | P260-N262 PolarHBondContact O-N 3.5Å; N262-Y264 PolarHBondContact O-N 3.09Å; N262-S265 PolarHBondContact O-N 2.84Å | ||
| 263 | R | 57.2 | Low | 66.5 | Low | 218 Ų | 218 | 84 Ų | 84 | 82% | 0.823 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -53.3 | -27.3 | -177.6 | -65.6 | -173.8 | -177.3 | -176.1 | 1.6 | 113.3 | E261 S265 S266 | E261-R263 PolarHBondContact O-N 2.8Å; E261-R263 VanDerWaalsContact O-N 3.07Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 2.75Å; R263-S266 PolarHBondContact O-N 3.09Å; R263-S266 PolarHBondContact O-OG 3.43Å |
| 264 | Y | 50.5 | Low | 65 | Low | 217 Ų | 217 | 86 Ų | 86 | 85% | 0.851 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -74.4 | -13.3 | 177.8 | -66.5 | -75.8 | 0 | 0 | 0 | 115 | N262 S266 | N262-Y264 PolarHBondContact O-N 3.09Å; Y264-S266 PolarHBondContact O-N 3.37Å |
| 265 | S | 48.3 | Very low | 64.4 | Low | 93 Ų | 93 | 91.8 Ų | 91.8 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -80.6 | -0.4 | 173.3 | -171.7 | 0 | 0 | 0 | 0 | 113 | N262 R263 S267 | N262-S265 PolarHBondContact O-N 2.84Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 2.75Å; S265-S267 VanDerWaalsContact C-N 3.28Å; S265-S267 PolarHBondContact O-N 2.92Å; S265-S267 VanDerWaalsContact O-N 3.16Å |
| 266 | S | 42.6 | Very low | 63.8 | Low | 74 Ų | 74 | 94.7 Ų | 94.7 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | trans | -87.8 | 48.5 | -177.8 | 69 | 0 | 0 | 0 | 0 | 113.5 | R263 Y264 S268 | R263-S266 PolarHBondContact O-N 3.09Å; R263-S266 PolarHBondContact O-OG 3.43Å; Y264-S266 PolarHBondContact O-N 3.37Å; S266-S268 PolarHBondContact O-N 2.79Å | ||
| 267 | S | 41.6 | Very low | 63.4 | Low | 125 Ų | 125 | 96.5 Ų | 96.5 | 87% | 0.874 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -78.5 | 9.8 | 163.4 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | S265 | S265-S267 VanDerWaalsContact C-N 3.28Å; S265-S267 PolarHBondContact O-N 2.92Å; S265-S267 VanDerWaalsContact O-N 3.16Å |
| 268 | S | 41.1 | Very low | 63 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | trans | -134.2 | 84.9 | 165.4 | 77.1 | 0 | 0 | 0 | 0 | 112 | S266 S270 | S266-S268 PolarHBondContact O-N 2.79Å; S268-S270 PolarHBondContact O-N 3.07Å | ||
| 269 | R | 39.7 | Very low | 62.8 | Low | 234 Ų | 234 | 101.2 Ų | 101.2 | 88% | 0.883 | 53% | 0.526 | S | S | * | . | trans | -70.9 | 36.7 | 161.8 | -82.7 | -175.1 | 170.3 | 178.8 | -2.8 | 112.5 | N271 | R269-N271 PolarHBondContact O-N 3.02Š| ||
| 270 | S | 42.1 | Very low | 62.8 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | trans | -77.5 | 115.5 | 168.7 | 69.6 | 0 | 0 | 0 | 0 | 108.2 | S268 S272 | S268-S270 PolarHBondContact O-N 3.07Å; S270-S272 PolarHBondContact O-N 2.94Å | ||
| 271 | N | 39.9 | Very low | 63 | Low | 165 Ų | 165 | 101.7 Ų | 101.7 | 88% | 0.882 | 52% | 0.521 | S | S | * | . | trans | -61.9 | 45.5 | 169.4 | -87.2 | -14 | 0 | 0 | 0 | 112.8 | R269 S273 | R269-N271 PolarHBondContact O-N 3.02Å; N271-S273 PolarHBondContact O-N 2.81Å | ||
| 272 | S | 43.6 | Very low | 63.6 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | trans | -75.8 | 95.1 | 170.9 | 59.5 | 0 | 0 | 0 | 0 | 108.2 | S270 | S270-S272 PolarHBondContact O-N 2.94Š| ||
| 273 | S | 47.2 | Very low | 65 | Low | 87 Ų | 87 | 93 Ų | 93 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | 136.1 | 158.6 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | N271 | N271-S273 PolarHBondContact O-N 2.81Š|
| 274 | G | 55.5 | Low | 66.7 | Low | 42 Ų | 42 | 82.7 Ų | 82.7 | 43% | 0.433 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 26.6 | 171 | 0 | 0 | 0 | 0 | 0 | 118.9 | N301 Y302 | G274-N301 PolarHBondContact N-O 3.13Å; G274-Y302 WeakPolarHBondContact O-CE2 3.29Å |
| 275 | R | 76.9 | Confident | 68.5 | Low | 167 Ų | 167 | 72.4 Ų | 72.4 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | trans | -104.6 | 141 | 174.9 | -160 | 177.1 | -177.7 | 173.1 | 3.1 | 113.6 | G299 | R275-G299 PolarHBondContact O-N 2.94Š| ||
| 276 | L | 83.7 | Confident | 70.1 | Confident | 62 Ų | 62 | 70 Ų | 70 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 129.1 | 165.2 | -60.3 | 175.2 | 0 | 0 | 0 | 110.6 | V297 P298 Y302 Y306 | L276-V297 CarbonylContact C-O 3.28Å; L276-V297 WeakPolarHBondContact CA-O 3.42Å; L276-P298 HydrophobicContact CD2-CG 4.02Å; L276-Y302 HydrophobicContact CD2-CE2 4.18Å; L276-Y306 HydrophobicContact CD1-CD2 4.42Å; L276-Y306 HydrophobicContact CD1-CE2 3.58Å; L276-Y306 HydrophobicContact CD2-CD1 4.42Å; L276-Y306 HydrophobicContact CD2-CD2 3.66Å; L276-Y306 HydrophobicContact CD2-CE1 4.28Å; L276-Y306 HydrophobicContact CD2-CE2 3.53Å; L276-Y306 HydrophobicContact CD2-CG 4.11Å; L276-Y306 HydrophobicContact CG-CE2 4.19Å |
| 277 | V | 88.6 | Confident | 71.8 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 161.8 | 175.6 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | R279 K296 V297 I588 | V277-R279 HydrophobicContact CG2-CG 4.13Å; V277-K296 WeakPolarHBondContact O-CA 3.43Å; V277-V297 HydrophobicContact CG2-CG2 3.97Å; V277-V297 WeakPolarHBondContact CG2-O 3.19Å; V277-V297 PolarHBondContact N-O 2.93Å; V277-V297 PolarHBondContact O-N 2.87Å; V277-I588 HydrophobicContact CG2-CD1 4.06Å |
| 278 | R | 89.3 | Confident | 73.8 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.7 | 173.8 | -70.3 | 179.9 | 179.6 | 101.1 | 6.2 | 109.2 | E294 A295 K296 R359 | R278-E294 HydrophobicContact CB-CG 4.11Å; R278-E294 HydrophobicContact CG-CG 4.29Å; R278-E294 IonicContact NE-OE1 3.91Å; R278-A295 WeakPolarHBondContact CA-O 3.09Å; R278-K296 HydrophobicContact CG-CG 4.43Å; R278-R359 VanDerWaalsContact NH2-NH2 3.12Å |
| 279 | R | 92.3 | Very high | 76.1 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.4 | 176 | -62.7 | -66.1 | -65.2 | 163.6 | 0.9 | 109.2 | W258 L259 E261 V277 E294 A295 V297 D585 D587 I588 | W258-R279 HydrophobicContact CE3-CB 3.9Å; W258-R279 HydrophobicContact CH2-CB 4.23Å; W258-R279 HydrophobicContact CZ3-CB 3.35Å; W258-R279 HydrophobicContact CZ3-CG 4.4Å; L259-R279 PolarHBondContact O-NH2 3.17Å; L259-R279 VanDerWaalsContact O-NH2 3.13Å; E261-R279 VanDerWaalsContact N-NH1 3.13Å; V277-R279 HydrophobicContact CG2-CG 4.13Å; R279-E294 WeakPolarHBondContact O-CA 3.48Å; R279-A295 PolarHBondContact N-O 2.93Å; R279-A295 PolarHBondContact O-N 3.24Å; R279-V297 HydrophobicContact CB-CG2 3.99Å; R279-V297 HydrophobicContact CG-CG2 3.33Å; R279-D585 IonicContact CZ-OD1 3.84Å; R279-D585 IonicContact CZ-OD2 2.83Å; R279-D585 IonicContact NE-OD1 3.92Å; R279-D585 IonicContact NE-OD2 3.77Å; R279-D585 PolarHBondContact NE-OD2 2.85Å; R279-D585 IonicContact NH2-OD1 3.73Å; R279-D585 PolarHBondContact NH2-OD1 3.27Å; R279-D585 IonicContact NH2-OD2 3.65Å; R279-D585 PolarHBondContact NH2-OD2 2.98Å; R279-D587 IonicContact CZ-OD2 3.82Å; R279-D587 IonicContact NH1-OD2 2.82Å; R279-D587 PolarHBondContact NH1-OD2 2.04Å; R279-D587 IonicContact NH2-OD2 2.81Å; R279-D587 PolarHBondContact NH2-OD2 3.13Å; R279-I588 HydrophobicContact CG-CD1 3.83Å |
| 280 | R | 95 | Very high | 78.8 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 25% | 0.253 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.5 | -175.5 | -68.4 | 178.8 | -176.9 | 171.9 | 0.1 | 111.1 | L259 L292 C293 | L259-R280 HydrophobicContact CB-CB 4.25Å; L259-R280 HydrophobicContact CD1-CB 4.34Å; L259-R280 PolarHBondContact N-O 2.78Å; R280-L292 HydrophobicContact CB-CD1 4.16Å; R280-C293 CarbonylContact C-O 3.53Å; R280-C293 WeakPolarHBondContact CA-O 3.42Å |
| 281 | L | 95.9 | Very high | 81.3 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.4 | 177.9 | -76.5 | 164.9 | 0 | 0 | 0 | 109.6 | V256 Q257 W258 V283 L292 C293 F312 A593 | V256-L281 HydrophobicContact CG2-CD2 3.81Å; Q257-L281 WeakPolarHBondContact O-CA 3.24Å; W258-L281 HydrophobicContact CB-CD2 4.48Å; W258-L281 HydrophobicContact CD2-CD2 3.37Å; W258-L281 HydrophobicContact CD2-CG 4.04Å; W258-L281 HydrophobicContact CE3-CD1 4.48Å; W258-L281 HydrophobicContact CE3-CD2 3.53Å; W258-L281 HydrophobicContact CE3-CG 3.66Å; W258-L281 HydrophobicContact CG-CD2 3.79Å; W258-L281 HydrophobicContact CH2-CD1 3.84Å; W258-L281 HydrophobicContact CH2-CD2 4.13Å; W258-L281 HydrophobicContact CH2-CG 3.93Å; W258-L281 HydrophobicContact CZ2-CD1 4.19Å; W258-L281 HydrophobicContact CZ2-CD2 4.01Å; W258-L281 HydrophobicContact CZ2-CG 4.29Å; W258-L281 HydrophobicContact CZ3-CD1 3.98Å; W258-L281 HydrophobicContact CZ3-CD2 3.88Å; W258-L281 HydrophobicContact CZ3-CG 3.57Å; L281-V283 HydrophobicContact CB-CG2 4.22Å; L281-L292 CarbonylContact O-C 3.51Å; L281-L292 WeakPolarHBondContact O-CA 3.33Å; L281-C293 HydrophobicContact CB-CB 4.27Å; L281-C293 PolarHBondContact N-O 2.92Å; L281-C293 PolarHBondContact O-N 2.93Å; L281-F312 HydrophobicContact CD1-CD2 4.33Å; L281-F312 HydrophobicContact CD1-CE2 3.74Å; L281-F312 HydrophobicContact CD1-CZ 4.12Å; L281-A593 HydrophobicContact CD2-CB 3.87Å |
| 282 | L | 97.1 | Very high | 83.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.5 | 165.7 | -168.1 | 65.4 | 0 | 0 | 0 | 108.2 | V256 Q257 L259 L290 A327 V337 L351 | V256-L282 CarbonylContact C-O 3.59Å; V256-L282 VanDerWaalsContact CA-O 3.29Å; V256-L282 WeakPolarHBondContact CA-O 3.22Å; Q257-L282 HydrophobicContact CB-CB 4.39Å; Q257-L282 PolarHBondContact N-O 3.1Å; Q257-L282 PolarHBondContact O-N 2.87Å; L259-L282 HydrophobicContact CD1-CB 3.82Å; L282-L290 HydrophobicContact CD1-CD1 3.82Å; L282-L290 HydrophobicContact CD1-CD2 3.97Å; L282-L290 HydrophobicContact CD1-CG 3.85Å; L282-L290 HydrophobicContact CD2-CD1 4.47Å; L282-L290 HydrophobicContact CG-CD1 3.89Å; L282-L290 HydrophobicContact CG-CG 4.48Å; L282-A327 HydrophobicContact CD2-CB 3.86Å; L282-A327 HydrophobicContact CG-CB 4.37Å; L282-V337 HydrophobicContact CD2-CG1 3.68Å; L282-V337 HydrophobicContact CD2-CG2 4.22Å; L282-L351 HydrophobicContact CD1-CD1 4.12Å |
| 283 | V | 96.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 113.7 | -177 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | L249 A253 S255 V256 L281 L290 N291 | L249-V283 HydrophobicContact CD1-CG1 3.77Å; L249-V283 HydrophobicContact CD2-CG1 4.31Å; A253-V283 HydrophobicContact CB-CG1 3.76Å; S255-V283 CarbonylContact O-C 3.58Å; S255-V283 VanDerWaalsContact O-CA 3.31Å; S255-V283 WeakPolarHBondContact O-CA 3.33Å; V256-V283 HydrophobicContact CG2-CG2 4.5Å; L281-V283 HydrophobicContact CB-CG2 4.22Å; V283-L290 WeakPolarHBondContact O-CA 3.28Å; V283-N291 HydrophobicContact CB-CB 4.49Å; V283-N291 PolarHBondContact N-O 3.35Å; V283-N291 PolarHBondContact O-N 2.83Å |
| 284 | G | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A253 F254 S255 | A253-G284 WeakPolarHBondContact CA-O 3.3Å; A253-G284 WeakPolarHBondContact CB-O 3.43Å; F254-G284 PolarHBondContact N-O 2.77Å; S255-G284 PolarHBondContact N-O 2.88Å; S255-G284 PolarHBondContact O-N 3.49Å |
| 285 | S | 88 | Confident | 90.1 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 156.6 | -167.3 | -44.8 | 0 | 0 | 0 | 0 | 113.1 | A252 D287 G288 V289 N291 I324 | A252-S285 WeakPolarHBondContact O-CA 3.25Å; S285-D287 VanDerWaalsContact C-N 3.28Å; S285-D287 WeakPolarHBondContact CB-OD1 3.43Å; S285-D287 PolarHBondContact O-N 2.94Å; S285-G288 PolarHBondContact O-N 2.95Å; S285-G288 VanDerWaalsContact O-N 3.07Å; S285-V289 VanDerWaalsContact CB-O 3.25Å; S285-V289 WeakPolarHBondContact CB-O 3.3Å; S285-V289 PolarHBondContact N-O 3.36Å; S285-V289 VanDerWaalsContact N-O 3.12Å; S285-V289 PolarHBondContact OG-O 2.99Å; S285-N291 PolarHBondContact OG-ND2 2.96Å; S285-I324 PolarHBondContact O-N 2.84Å |
| 286 | L | 81 | Confident | 90.6 | Very high | 43 Ų | 43 | 30 Ų | 30 | 23% | 0.225 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.8 | 175.3 | -74.6 | -178.6 | 0 | 0 | 0 | 113.1 | A252 F254 G288 E323 I597 | A252-L286 HydrophobicContact CB-CD1 3.61Å; A252-L286 HydrophobicContact CB-CG 4.3Å; A252-L286 WeakPolarHBondContact O-CB 3.38Å; A252-L286 PolarHBondContact O-N 3.28Å; F254-L286 HydrophobicContact CD2-CD2 3.37Å; F254-L286 HydrophobicContact CD2-CG 4.32Å; F254-L286 HydrophobicContact CE2-CD2 3.06Å; F254-L286 HydrophobicContact CE2-CG 4.25Å; F254-L286 HydrophobicContact CG-CD2 4.38Å; F254-L286 HydrophobicContact CZ-CD2 3.84Å; L286-G288 PolarHBondContact O-N 3.31Å; L286-E323 HydrophobicContact CD2-CB 4.36Å; L286-E323 HydrophobicContact CD2-CG 4.47Å; L286-E323 VanDerWaalsContact O-CG 3.28Å; L286-E323 WeakPolarHBondContact O-CG 3.21Å; L286-I597 HydrophobicContact CD1-CD1 3.89Å; L286-I597 HydrophobicContact CD1-CG1 4.49Å |
| 287 | D | 78.3 | Confident | 90.9 | Very high | 80 Ų | 80 | 27.2 Ų | 27.2 | 43% | 0.428 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 4.3 | 173.3 | 65.5 | -2 | 0 | 0 | 0 | 113 | S251 S285 V289 | S251-D287 WeakPolarHBondContact CB-OD2 3.36Å; S251-D287 PolarHBondContact OG-N 3.3Å; S285-D287 VanDerWaalsContact C-N 3.28Å; S285-D287 WeakPolarHBondContact CB-OD1 3.43Å; S285-D287 PolarHBondContact O-N 2.94Å; D287-V289 VanDerWaalsContact C-N 3.32Å; D287-V289 WeakPolarHBondContact OD1-CB 3.32Å; D287-V289 PolarHBondContact OD1-N 3.43Å |
| 288 | G | 84.7 | Confident | 90.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 75.2 | 18.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S285 L286 S319 A320 S322 | S285-G288 PolarHBondContact O-N 2.95Å; S285-G288 VanDerWaalsContact O-N 3.07Å; L286-G288 PolarHBondContact O-N 3.31Å; G288-S319 CarbonylContact O-C 3.46Å; G288-S319 WeakPolarHBondContact O-CA 3.46Å; G288-A320 PolarHBondContact O-N 2.61Å; G288-S322 WeakPolarHBondContact CA-O 3.29Å |
| 289 | V | 89 | Confident | 90.5 | Very high | 15 Ų | 15 | 19.9 Ų | 19.9 | 9% | 0.091 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.5 | 177.1 | -173 | 0 | 0 | 0 | 0 | 111.4 | S285 D287 A317 V365 | S285-V289 VanDerWaalsContact CB-O 3.25Å; S285-V289 WeakPolarHBondContact CB-O 3.3Å; S285-V289 PolarHBondContact N-O 3.36Å; S285-V289 VanDerWaalsContact N-O 3.12Å; S285-V289 PolarHBondContact OG-O 2.99Å; D287-V289 VanDerWaalsContact C-N 3.32Å; D287-V289 WeakPolarHBondContact OD1-CB 3.32Å; D287-V289 PolarHBondContact OD1-N 3.43Å; V289-A317 HydrophobicContact CG1-CB 4.09Å; V289-V365 HydrophobicContact CG1-CG1 3.88Å; V289-V365 HydrophobicContact CG1-CG2 4.35Å; V289-V365 HydrophobicContact CG2-CG1 4.07Å |
| 290 | L | 95.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.7 | 169 | -171.6 | 69.3 | 0 | 0 | 0 | 109.2 | L282 V283 A317 V318 I324 A327 V337 M339 F349 | L282-L290 HydrophobicContact CD1-CD1 3.82Å; L282-L290 HydrophobicContact CD1-CD2 3.97Å; L282-L290 HydrophobicContact CD1-CG 3.85Å; L282-L290 HydrophobicContact CD2-CD1 4.47Å; L282-L290 HydrophobicContact CG-CD1 3.89Å; L282-L290 HydrophobicContact CG-CG 4.48Å; V283-L290 WeakPolarHBondContact O-CA 3.28Å; L290-A317 WeakPolarHBondContact O-CA 3.23Å; L290-V318 PolarHBondContact N-O 3.11Å; L290-V318 PolarHBondContact O-N 3.3Å; L290-I324 HydrophobicContact CB-CD1 3.74Å; L290-I324 HydrophobicContact CD1-CD1 4.45Å; L290-A327 HydrophobicContact CD1-CB 3.49Å; L290-A327 VanDerWaalsContact CD1-CB 3.49Å; L290-V337 HydrophobicContact CD2-CG1 4.03Å; L290-M339 HydrophobicContact CB-SD 4.07Å; L290-M339 HydrophobicContact CD2-SD 4.19Å; L290-F349 HydrophobicContact CD2-CE2 4.12Å; L290-F349 HydrophobicContact CD2-CZ 3.56Å |
| 291 | N | 94.7 | Very high | 89 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.7 | 179.4 | -66.8 | -64.9 | 0 | 0 | 0 | 110.5 | V283 S285 | V283-N291 HydrophobicContact CB-CB 4.49Å; V283-N291 PolarHBondContact N-O 3.35Å; V283-N291 PolarHBondContact O-N 2.83Å; S285-N291 PolarHBondContact OG-ND2 2.96Å |
| 292 | L | 95.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.3 | 162.2 | -177.1 | 67 | 0 | 0 | 0 | 107.6 | L259 R280 L281 V315 K316 | L259-L292 HydrophobicContact CD1-CD1 3.6Å; L259-L292 HydrophobicContact CD2-CD1 3.88Å; L259-L292 HydrophobicContact CG-CD1 4.41Å; R280-L292 HydrophobicContact CB-CD1 4.16Å; L281-L292 CarbonylContact O-C 3.51Å; L281-L292 WeakPolarHBondContact O-CA 3.33Å; L292-V315 HydrophobicContact CD2-CB 4.33Å; L292-V315 HydrophobicContact CD2-CG1 4.38Å; L292-V315 HydrophobicContact CG-CB 4.35Å; L292-V315 WeakPolarHBondContact O-CA 3.09Å; L292-V315 WeakPolarHBondContact O-CB 3.32Å; L292-V315 PolarHBondContact O-N 2.81Å; L292-K316 HydrophobicContact CB-CB 3.96Å; L292-K316 HydrophobicContact CD2-CB 4.43Å; L292-K316 HydrophobicContact CD2-CD 3.86Å; L292-K316 HydrophobicContact CD2-CG 4.16Å; L292-K316 PolarHBondContact N-O 3.06Å; L292-K316 PolarHBondContact O-N 3.14Å |
| 293 | C | 93.8 | Very high | 87 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 148.4 | -177.6 | -68 | 0 | 0 | 0 | 0 | 111 | R280 L281 F312 R313 | R280-C293 CarbonylContact C-O 3.53Å; R280-C293 WeakPolarHBondContact CA-O 3.42Å; L281-C293 HydrophobicContact CB-CB 4.27Å; L281-C293 PolarHBondContact N-O 2.92Å; L281-C293 PolarHBondContact O-N 2.93Å; C293-F312 HydrophobicContact CB-CB 3.78Å; C293-F312 HydrophobicContact CB-CD2 4.25Å; C293-F312 HydrophobicContact CB-CG 4.34Å; C293-R313 CarbonylContact C-O 3.53Å; C293-R313 WeakPolarHBondContact CA-O 3.3Å |
| 294 | E | 92.1 | Very high | 86.1 | Confident | 29 Ų | 29 | 46 Ų | 46 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.4 | 173.7 | 176.7 | 177.7 | 90.6 | 0 | 0 | 109.6 | R278 R279 R313 V315 | R278-E294 HydrophobicContact CB-CG 4.11Å; R278-E294 HydrophobicContact CG-CG 4.29Å; R278-E294 IonicContact NE-OE1 3.91Å; R279-E294 WeakPolarHBondContact O-CA 3.48Å; E294-R313 HydrophobicContact CB-CB 4.41Å; E294-R313 PolarHBondContact N-O 3.26Å; E294-R313 PolarHBondContact O-N 2.79Å; E294-R313 IonicContact OE1-CZ 3.62Å; E294-R313 IonicContact OE1-NH1 3.02Å; E294-R313 PolarHBondContact OE1-NH1 3.29Å; E294-V315 HydrophobicContact CB-CG2 3.47Å; E294-V315 VanDerWaalsContact CB-CG2 3.47Å |
| 295 | A | 89.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R278 R279 V297 F312 | R278-A295 WeakPolarHBondContact CA-O 3.09Å; R279-A295 PolarHBondContact N-O 2.93Å; R279-A295 PolarHBondContact O-N 3.24Å; A295-V297 HydrophobicContact CB-CG1 4.29Å; A295-F312 HydrophobicContact CB-CD1 3.72Å; A295-F312 HydrophobicContact CB-CE1 3.49Å; A295-F312 VanDerWaalsContact CB-CE1 3.49Å; A295-F312 HydrophobicContact CB-CZ 4.17Å |
| 296 | K | 88.2 | Confident | 84.9 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.4 | 166.5 | -70.9 | -177.1 | -174.3 | 172.5 | 0 | 108.4 | V277 R278 | V277-K296 WeakPolarHBondContact O-CA 3.43Å; R278-K296 HydrophobicContact CG-CG 4.43Å |
| 297 | V | 89.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155.9 | 179.5 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | V245 W258 L276 V277 R279 A295 I588 M591 | V245-V297 HydrophobicContact CG2-CG1 4.24Å; W258-V297 HydrophobicContact CH2-CG1 4.44Å; L276-V297 CarbonylContact C-O 3.28Å; L276-V297 WeakPolarHBondContact CA-O 3.42Å; V277-V297 HydrophobicContact CG2-CG2 3.97Å; V277-V297 WeakPolarHBondContact CG2-O 3.19Å; V277-V297 PolarHBondContact N-O 2.93Å; V277-V297 PolarHBondContact O-N 2.87Å; R279-V297 HydrophobicContact CB-CG2 3.99Å; R279-V297 HydrophobicContact CG-CG2 3.33Å; A295-V297 HydrophobicContact CB-CG1 4.29Å; V297-I588 HydrophobicContact CG2-CD1 3.83Å; V297-M591 HydrophobicContact CB-CE 4.39Å |
| 298 | P | 86.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 136.4 | 167.2 | -33.2 | 43.7 | 0 | 0 | 0 | 112.7 | T243 L276 Y302 Y306 | T243-P298 HydrophobicContact CG2-CG 4.12Å; T243-P298 WeakPolarHBondContact OG1-CG 3.39Å; L276-P298 HydrophobicContact CD2-CG 4.02Å; P298-Y302 HydrophobicContact CB-CD1 3.6Å; P298-Y302 HydrophobicContact CB-CD2 4.2Å; P298-Y302 HydrophobicContact CB-CE1 4.29Å; P298-Y302 HydrophobicContact CB-CG 3.56Å; P298-Y302 HydrophobicContact CG-CD1 3.86Å; P298-Y302 HydrophobicContact CG-CE1 4.09Å; P298-Y302 HydrophobicContact CG-CG 4.23Å; P298-Y306 HydrophobicContact CG-CD1 3.79Å; P298-Y306 HydrophobicContact CG-CG 3.67Å |
| 299 | G | 82.8 | Confident | 83.9 | Confident | 14 Ų | 14 | 56 Ų | 56 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | trans | -77 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R275 N301 Y302 | R275-G299 PolarHBondContact O-N 2.94Å; G299-N301 PolarHBondContact O-N 3.07Å; G299-Y302 VanDerWaalsContact O-CB 3.23Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 2.98Å; G299-Y302 VanDerWaalsContact O-N 3.11Å | ||
| 300 | R | 79.1 | Confident | 82.4 | Confident | 191 Ų | 191 | 56.5 Ų | 56.5 | 72% | 0.721 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.7 | -175.8 | -171.7 | 175.8 | -179.6 | -175.7 | 1.5 | 115.7 | ||
| 301 | N | 76.9 | Confident | 81.1 | Confident | 106 Ų | 106 | 61.3 Ų | 61.3 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 28 | -177 | -60.9 | -17.3 | 0 | 0 | 0 | 112.4 | G274 G299 | G274-N301 PolarHBondContact N-O 3.13Å; G299-N301 PolarHBondContact O-N 3.07Å |
| 302 | Y | 77.3 | Confident | 80.5 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | trans | -93.6 | 124.4 | 177.5 | -164.3 | -87.9 | 0 | 0 | 0 | 109.2 | G274 L276 P298 G299 E304 | G274-Y302 WeakPolarHBondContact O-CE2 3.29Å; L276-Y302 HydrophobicContact CD2-CE2 4.18Å; P298-Y302 HydrophobicContact CB-CD1 3.6Å; P298-Y302 HydrophobicContact CB-CD2 4.2Å; P298-Y302 HydrophobicContact CB-CE1 4.29Å; P298-Y302 HydrophobicContact CB-CG 3.56Å; P298-Y302 HydrophobicContact CG-CD1 3.86Å; P298-Y302 HydrophobicContact CG-CE1 4.09Å; P298-Y302 HydrophobicContact CG-CG 4.23Å; G299-Y302 VanDerWaalsContact O-CB 3.23Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 2.98Å; G299-Y302 VanDerWaalsContact O-N 3.11Å; Y302-E304 HydrophobicContact CD1-CB 4.27Å; Y302-E304 WeakPolarHBondContact CD1-O 3.46Å; Y302-E304 HydrophobicContact CE1-CB 3.61Å; Y302-E304 WeakPolarHBondContact CE1-O 3.35Å | ||
| 303 | N | 73.2 | Confident | 80 | Confident | 150 Ų | 150 | 66.2 Ų | 66.2 | 80% | 0.802 | 34% | 0.344 | S | S | * | . | trans | -111.8 | 7.8 | -170.2 | -64.9 | -11.5 | 0 | 0 | 0 | 113.4 | ||||
| 304 | E | 77.9 | Confident | 79.8 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 64% | 0.64 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -108 | 156.1 | 179.3 | -61.6 | 179.5 | 175.7 | 0 | 0 | 110.8 | Y302 | Y302-E304 HydrophobicContact CD1-CB 4.27Å; Y302-E304 WeakPolarHBondContact CD1-O 3.46Å; Y302-E304 HydrophobicContact CE1-CB 3.61Å; Y302-E304 WeakPolarHBondContact CE1-O 3.35Å |
| 305 | Q | 79.3 | Confident | 79.9 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | trans | -70.1 | 134.1 | 170.5 | -69.5 | -172.7 | -23.8 | 0 | 0 | 110 | S239 Y241 D242 | S239-Q305 PolarHBondContact O-NE2 3.34Å; Y241-Q305 PolarHBondContact O-NE2 2.92Å; D242-Q305 CarbonylContact O-C 3.48Å; D242-Q305 VanDerWaalsContact O-CA 3.3Å; D242-Q305 WeakPolarHBondContact O-CA 3.49Å | ||
| 306 | Y | 77.8 | Confident | 80.1 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.161 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.7 | 177.7 | 179.9 | -98.2 | 0 | 0 | 0 | 111.1 | D242 T243 M244 V245 L276 P298 | D242-Y306 PolarHBondContact O-N 2.9Å; T243-Y306 CarbonylContact C-O 3.46Å; T243-Y306 VanDerWaalsContact CA-O 3.27Å; T243-Y306 WeakPolarHBondContact CA-O 3.4Å; T243-Y306 HydrophobicContact CG2-CD1 4.17Å; M244-Y306 PolarHBondContact N-O 3.36Å; V245-Y306 HydrophobicContact CG2-CD1 4.23Å; V245-Y306 HydrophobicContact CG2-CE1 3.94Å; L276-Y306 HydrophobicContact CD1-CD2 4.42Å; L276-Y306 HydrophobicContact CD1-CE2 3.58Å; L276-Y306 HydrophobicContact CD2-CD1 4.42Å; L276-Y306 HydrophobicContact CD2-CD2 3.66Å; L276-Y306 HydrophobicContact CD2-CE1 4.28Å; L276-Y306 HydrophobicContact CD2-CE2 3.53Å; L276-Y306 HydrophobicContact CD2-CG 4.11Å; L276-Y306 HydrophobicContact CG-CE2 4.19Å; P298-Y306 HydrophobicContact CG-CD1 3.79Å; P298-Y306 HydrophobicContact CG-CG 3.67Å |
| 307 | S | 77.5 | Confident | 80.3 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.1 | 169.9 | -174.2 | 0 | 0 | 0 | 0 | 111 | M244 | M244-S307 WeakPolarHBondContact O-CA 3.35Å; M244-S307 PolarHBondContact O-OG 3.29Å |
| 308 | S | 74.6 | Confident | 80.5 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 137.8 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | M244 V245 T246 | M244-S308 PolarHBondContact O-N 2.84Å; M244-S308 VanDerWaalsContact O-N 3.09Å; V245-S308 CarbonylContact C-O 3.54Å; V245-S308 WeakPolarHBondContact CA-O 3.3Å; T246-S308 PolarHBondContact N-O 3.09Å |
| 309 | S | 71.3 | Confident | 80.8 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.9 | 171.6 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | T246 | T246-S309 CarbonylContact O-C 3.46Å; T246-S309 VanDerWaalsContact O-CA 3.3Å; T246-S309 WeakPolarHBondContact O-CA 3.37Å; T246-S309 WeakPolarHBondContact OG1-CA 3.23Å; T246-S309 VanDerWaalsContact OG1-CB 3.23Å; T246-S309 WeakPolarHBondContact OG1-CB 3.39Å |
| 310 | G | 58.7 | Low | 81 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 142.1 | 168.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | T246 A247 | T246-G310 PolarHBondContact O-N 2.69Å; A247-G310 VanDerWaalsContact CA-O 3.24Å; A247-G310 WeakPolarHBondContact CA-O 3.41Å; A247-G310 VanDerWaalsContact CB-O 3.29Å; A247-G310 WeakPolarHBondContact CB-O 3.32Å |
| 311 | P | 68.2 | Low | 80.9 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 140 | -176.9 | 28.3 | -34.7 | 0 | 0 | 0 | 111 | ||
| 312 | F | 82 | Confident | 81.1 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 148 | 170 | -66.7 | -43.5 | 0 | 0 | 0 | 111 | V245 A247 L281 C293 A295 I314 | V245-F312 HydrophobicContact CG1-CE1 3.7Å; V245-F312 HydrophobicContact CG1-CZ 4.14Å; A247-F312 HydrophobicContact CB-CD1 3.83Å; A247-F312 HydrophobicContact CB-CD2 3.48Å; A247-F312 VanDerWaalsContact CB-CD2 3.48Å; A247-F312 HydrophobicContact CB-CE1 3.67Å; A247-F312 HydrophobicContact CB-CE2 3.32Å; A247-F312 HydrophobicContact CB-CG 3.74Å; A247-F312 HydrophobicContact CB-CZ 3.42Å; A247-F312 VanDerWaalsContact CB-CZ 3.42Å; L281-F312 HydrophobicContact CD1-CD2 4.33Å; L281-F312 HydrophobicContact CD1-CE2 3.74Å; L281-F312 HydrophobicContact CD1-CZ 4.12Å; C293-F312 HydrophobicContact CB-CB 3.78Å; C293-F312 HydrophobicContact CB-CD2 4.25Å; C293-F312 HydrophobicContact CB-CG 4.34Å; A295-F312 HydrophobicContact CB-CD1 3.72Å; A295-F312 HydrophobicContact CB-CE1 3.49Å; A295-F312 VanDerWaalsContact CB-CE1 3.49Å; A295-F312 HydrophobicContact CB-CZ 4.17Å; F312-I314 PolarHBondContact O-N 2.88Å |
| 313 | R | 85 | Confident | 81.4 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 30% | 0.302 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 118.4 | 173.4 | 177.6 | -174.5 | 175.1 | -163.4 | 0.7 | 108.8 | C293 E294 V315 Y357 | C293-R313 CarbonylContact C-O 3.53Å; C293-R313 WeakPolarHBondContact CA-O 3.3Å; E294-R313 HydrophobicContact CB-CB 4.41Å; E294-R313 PolarHBondContact N-O 3.26Å; E294-R313 PolarHBondContact O-N 2.79Å; E294-R313 IonicContact OE1-CZ 3.62Å; E294-R313 IonicContact OE1-NH1 3.02Å; E294-R313 PolarHBondContact OE1-NH1 3.29Å; R313-V315 PolarHBondContact O-N 3.27Å; R313-Y357 PolarHBondContact NH2-O 2.96Å |
| 314 | I | 89.8 | Confident | 82.3 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 118.8 | 170.6 | -59 | 172.8 | 0 | 0 | 0 | 108.4 | F312 K316 A317 Y357 V363 | F312-I314 PolarHBondContact O-N 2.88Å; I314-K316 WeakPolarHBondContact CG2-O 3.32Å; I314-A317 HydrophobicContact CG2-CB 4.15Å; I314-Y357 HydrophobicContact CG2-CD2 4.44Å; I314-Y357 HydrophobicContact CG2-CE2 4.39Å; I314-V363 HydrophobicContact CB-CG2 4.09Å; I314-V363 HydrophobicContact CD1-CG2 4.45Å; I314-V363 HydrophobicContact CG2-CG1 4.04Å; I314-V363 HydrophobicContact CG2-CG2 4.23Å |
| 315 | V | 92.2 | Very high | 82.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -39.8 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | L292 E294 R313 S356 Y357 | L292-V315 HydrophobicContact CD2-CB 4.33Å; L292-V315 HydrophobicContact CD2-CG1 4.38Å; L292-V315 HydrophobicContact CG-CB 4.35Å; L292-V315 WeakPolarHBondContact O-CA 3.09Å; L292-V315 WeakPolarHBondContact O-CB 3.32Å; L292-V315 PolarHBondContact O-N 2.81Å; E294-V315 HydrophobicContact CB-CG2 3.47Å; E294-V315 VanDerWaalsContact CB-CG2 3.47Å; R313-V315 PolarHBondContact O-N 3.27Å; V315-S356 WeakPolarHBondContact CG1-OG 3.36Å; V315-S356 CarbonylContact O-C 3.47Å; V315-S356 WeakPolarHBondContact O-CA 3.2Å; V315-Y357 WeakPolarHBondContact O-CD2 3.43Å; V315-Y357 PolarHBondContact O-N 2.97Å |
| 316 | K | 94.2 | Very high | 83.8 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 149.7 | 178.7 | -58 | 176.6 | 178.9 | -176.8 | 0 | 108.9 | L292 I314 E335 L351 L354 S356 | L292-K316 HydrophobicContact CB-CB 3.96Å; L292-K316 HydrophobicContact CD2-CB 4.43Å; L292-K316 HydrophobicContact CD2-CD 3.86Å; L292-K316 HydrophobicContact CD2-CG 4.16Å; L292-K316 PolarHBondContact N-O 3.06Å; L292-K316 PolarHBondContact O-N 3.14Å; I314-K316 WeakPolarHBondContact CG2-O 3.32Å; K316-E335 IonicContact NZ-OE2 2.77Å; K316-L351 HydrophobicContact CD-CB 4.34Å; K316-L351 PolarHBondContact NZ-O 3.16Å; K316-L354 HydrophobicContact CD-CB 4.03Å; K316-L354 WeakPolarHBondContact CE-O 3.41Å; K316-L354 PolarHBondContact NZ-O 3.08Å; K316-L354 VanDerWaalsContact NZ-O 3.11Å; K316-S356 VanDerWaalsContact CE-OG 3.32Å; K316-S356 WeakPolarHBondContact CE-OG 3.45Å |
| 317 | A | 93.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 127.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V289 L290 I314 Y357 V363 V365 K366 | V289-A317 HydrophobicContact CG1-CB 4.09Å; L290-A317 WeakPolarHBondContact O-CA 3.23Å; I314-A317 HydrophobicContact CG2-CB 4.15Å; A317-Y357 HydrophobicContact CB-CE2 4.32Å; A317-V363 HydrophobicContact CB-CG1 3.73Å; A317-V365 HydrophobicContact CB-CG1 4.47Å; A317-V365 HydrophobicContact CB-CG2 4.13Å; A317-K366 PolarHBondContact O-N 3.05Å |
| 318 | V | 94.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.1 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | L290 F349 L351 L354 K366 V368 L371 | L290-V318 PolarHBondContact N-O 3.11Å; L290-V318 PolarHBondContact O-N 3.3Å; V318-F349 HydrophobicContact CB-CE2 4.26Å; V318-F349 HydrophobicContact CB-CZ 4.36Å; V318-F349 HydrophobicContact CG1-CE2 4.11Å; V318-F349 HydrophobicContact CG1-CZ 4.04Å; V318-F349 HydrophobicContact CG2-CE2 4.05Å; V318-L351 HydrophobicContact CG2-CD2 4.01Å; V318-L354 HydrophobicContact CG2-CD1 3.56Å; V318-K366 CarbonylContact C-O 2.98Å; V318-K366 VanDerWaalsContact CA-O 3.26Å; V318-K366 WeakPolarHBondContact CA-O 3.18Å; V318-V368 HydrophobicContact CG1-CB 4.1Å; V318-V368 HydrophobicContact CG1-CG2 4.49Å; V318-L371 HydrophobicContact CB-CD1 4.48Å; V318-L371 HydrophobicContact CG1-CD1 3.68Å; V318-L371 HydrophobicContact CG2-CD1 3.89Å |
| 319 | S | 91.6 | Very high | 86.8 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.5 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | G288 G321 K366 V368 | G288-S319 CarbonylContact O-C 3.46Å; G288-S319 WeakPolarHBondContact O-CA 3.46Å; S319-G321 PolarHBondContact OG-N 2.86Å; S319-K366 PolarHBondContact N-O 2.97Å; S319-V368 WeakPolarHBondContact O-CB 3.5Å; S319-V368 PolarHBondContact O-N 3Å |
| 320 | A | 86.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | trans | -81.6 | -15.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G288 S322 I324 M339 C341 R343 | G288-A320 PolarHBondContact O-N 2.61Å; A320-S322 VanDerWaalsContact C-N 3.26Å; A320-S322 PolarHBondContact O-N 3.41Å; A320-I324 HydrophobicContact CB-CD1 4.45Å; A320-I324 HydrophobicContact CB-CG1 4.1Å; A320-M339 HydrophobicContact CB-CE 3.32Å; A320-M339 HydrophobicContact CB-SD 3.87Å; A320-C341 WeakPolarHBondContact CB-SG 3.49Å; A320-R343 PolarHBondContact O-NE 2.63Å; A320-R343 PolarHBondContact O-NH2 3.04Å | ||
| 321 | G | 77.2 | Confident | 89.8 | Confident | 69 Ų | 69 | 26.8 Ų | 26.8 | 71% | 0.711 | 16% | 0.155 | S | C | * | . | S | Bend | trans | 78.4 | -1.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S319 | S319-G321 PolarHBondContact OG-N 2.86Š|
| 322 | S | 82.6 | Confident | 91.1 | Very high | 17 Ų | 17 | 24.6 Ų | 24.6 | 12% | 0.119 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -153 | 160.6 | -178.2 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | G288 A320 I324 C341 R343 | G288-S322 WeakPolarHBondContact CA-O 3.29Å; A320-S322 VanDerWaalsContact C-N 3.26Å; A320-S322 PolarHBondContact O-N 3.41Å; S322-I324 PolarHBondContact O-N 3.35Å; S322-C341 WeakPolarHBondContact OG-CB 3.24Å; S322-R343 PolarHBondContact OG-NE 2.96Å |
| 323 | E | 83.8 | Confident | 91.7 | Very high | 67 Ų | 67 | 28.6 Ų | 28.6 | 31% | 0.313 | 15% | 0.15 | S | C | . | . | trans | -53.1 | 135.5 | -177.6 | -46.7 | -170.8 | 168.9 | 0 | 0 | 111.8 | L286 C341 Q342 | L286-E323 HydrophobicContact CD2-CB 4.36Å; L286-E323 HydrophobicContact CD2-CG 4.47Å; L286-E323 VanDerWaalsContact O-CG 3.28Å; L286-E323 WeakPolarHBondContact O-CG 3.21Å; E323-C341 CarbonylContact O-C 3.52Å; E323-C341 WeakPolarHBondContact O-CA 3.34Å; E323-C341 WeakPolarHBondContact O-CB 3.03Å; E323-Q342 HydrophobicContact CB-CG 4.03Å; E323-Q342 VanDerWaalsContact CG-CD 3.48Å; E323-Q342 HydrophobicContact CG-CG 4.31Å; E323-Q342 PolarHBondContact O-N 3.5Å; E323-Q342 PolarHBondContact OE2-NE2 3.39Å | ||
| 324 | I | 90.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 120.7 | 178.3 | -63.8 | 164 | 0 | 0 | 0 | 108.6 | S285 L290 A320 S322 A327 M339 | S285-I324 PolarHBondContact O-N 2.84Å; L290-I324 HydrophobicContact CB-CD1 3.74Å; L290-I324 HydrophobicContact CD1-CD1 4.45Å; A320-I324 HydrophobicContact CB-CD1 4.45Å; A320-I324 HydrophobicContact CB-CG1 4.1Å; S322-I324 PolarHBondContact O-N 3.35Å; I324-A327 HydrophobicContact CG2-CB 4.42Å; I324-M339 HydrophobicContact CD1-CG 4.43Å; I324-M339 HydrophobicContact CD1-SD 3.66Å; I324-M339 HydrophobicContact CG1-CG 4.17Å; I324-M339 HydrophobicContact CG1-SD 3.84Å; I324-M339 HydrophobicContact CG2-CG 3.94Å |
| 325 | T | 92 | Very high | 92.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -39.4 | -179 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | K340 G383 F384 | T325-K340 PolarHBondContact N-O 3.06Å; T325-K340 PolarHBondContact OG1-O 3.13Å; T325-G383 WeakPolarHBondContact CB-O 3.35Å; T325-G383 PolarHBondContact OG1-O 2.79Å; T325-F384 HydrophobicContact CG2-CD1 4.45Å; T325-F384 HydrophobicContact CG2-CE1 4.04Å; T325-F384 HydrophobicContact CG2-CZ 4.22Å |
| 326 | R | 97.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 29.5 Ų | 29.5 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 135.8 | 179.8 | -155.9 | 77.2 | 157.2 | 162.5 | -1.5 | 111.2 | R328 K340 F384 L386 D581 | R326-R328 HydrophobicContact CG-CG 4.49Å; R326-K340 PolarHBondContact N-O 2.89Å; R326-K340 PolarHBondContact O-N 2.64Å; R326-F384 VanDerWaalsContact CB-O 3.28Å; R326-F384 WeakPolarHBondContact CB-O 3.17Å; R326-F384 VanDerWaalsContact CD-O 3.31Å; R326-F384 WeakPolarHBondContact CD-O 3.4Å; R326-F384 WeakPolarHBondContact CG-O 3.34Å; R326-L386 HydrophobicContact CB-CB 4.02Å; R326-L386 HydrophobicContact CB-CD2 4.33Å; R326-L386 HydrophobicContact CG-CB 3.73Å; R326-L386 HydrophobicContact CG-CD2 4.45Å; R326-D581 IonicContact CZ-OD1 3.71Å; R326-D581 IonicContact NH1-OD1 2.76Å; R326-D581 PolarHBondContact NH1-OD1 2.76Å; R326-D581 IonicContact NH1-OD2 2.69Å; R326-D581 PolarHBondContact NH1-OD2 3.4Å; R326-D581 VanDerWaalsContact NH1-OD2 3.09Å; R326-D581 IonicContact NH2-OD1 2.72Å |
| 327 | A | 97.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | S255 L282 L290 I324 A338 | S255-A327 PolarHBondContact OG-N 3.42Å; S255-A327 PolarHBondContact OG-O 3.5Å; L282-A327 HydrophobicContact CD2-CB 3.86Å; L282-A327 HydrophobicContact CG-CB 4.37Å; L290-A327 HydrophobicContact CD1-CB 3.49Å; L290-A327 VanDerWaalsContact CD1-CB 3.49Å; I324-A327 HydrophobicContact CG2-CB 4.42Å; A327-A338 CarbonylContact C-O 3.52Å; A327-A338 VanDerWaalsContact CA-O 3.28Å; A327-A338 WeakPolarHBondContact CA-O 3.36Å |
| 328 | R | 98.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 29 Ų | 29 | 9% | 0.094 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.1 | -177.2 | -64 | -65.4 | 179 | -114.9 | 20.9 | 112.2 | S255 V256 Q257 R326 A338 L386 W388 D581 | S255-R328 PolarHBondContact OG-NH1 3.24Å; V256-R328 PolarHBondContact O-NH1 3.01Å; Q257-R328 VanDerWaalsContact CD-CD 3.48Å; Q257-R328 VanDerWaalsContact OE1-CA 3.25Å; R326-R328 HydrophobicContact CG-CG 4.49Å; R328-A338 PolarHBondContact N-O 3Å; R328-A338 PolarHBondContact O-N 2.96Å; R328-L386 HydrophobicContact CB-CD2 4.44Å; R328-L386 HydrophobicContact CG-CD2 4.46Å; R328-W388 PolarHBondContact O-NE1 2.75Å; R328-D581 IonicContact CZ-OD2 3.88Å; R328-D581 IonicContact NH1-OD2 3.96Å; R328-D581 PolarHBondContact NH1-OD2 3.21Å; R328-D581 IonicContact NH2-OD1 2.67Å; R328-D581 PolarHBondContact NH2-OD1 2.83Å; R328-D581 IonicContact NH2-OD2 2.89Å; R328-D581 PolarHBondContact NH2-OD2 3.13Å |
| 329 | Y | 97.5 | Very high | 93 | Very high | 10 Ų | 10 | 29 Ų | 29 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 150.3 | 173.1 | 73.5 | -95 | 0 | 0 | 0 | 112 | Q257 W258 L259 P260 P331 P334 V336 | Q257-Y329 HydrophobicContact CG-CD1 4.13Å; Q257-Y329 HydrophobicContact CG-CE1 3.94Å; W258-Y329 WeakPolarHBondContact O-CE1 3.38Å; L259-Y329 HydrophobicContact CG-CD1 4.47Å; P260-Y329 HydrophobicContact CG-CE2 4.26Å; Y329-P331 WeakPolarHBondContact O-CD 3.46Å; Y329-P334 HydrophobicContact CD2-CB 3.85Å; Y329-P334 HydrophobicContact CD2-CG 4.18Å; Y329-P334 HydrophobicContact CE2-CB 4.38Å; Y329-P334 HydrophobicContact CE2-CG 4.36Å; Y329-P334 HydrophobicContact CG-CB 4.39Å; Y329-V336 WeakPolarHBondContact CA-O 3.21Å |
| 330 | M | 97.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.5 | 172.7 | -179.7 | -172.1 | -65.3 | 0 | 0 | 110.2 | Q332 R333 P334 V336 W388 T393 V410 | M330-Q332 VanDerWaalsContact C-N 3.28Å; M330-Q332 VanDerWaalsContact CG-OE1 3.26Å; M330-Q332 PolarHBondContact O-N 3.46Å; M330-Q332 VanDerWaalsContact O-N 3.14Å; M330-R333 CarbonylContact O-C 3.31Å; M330-R333 PolarHBondContact O-N 2.72Å; M330-R333 HydrophobicContact SD-CB 4.02Å; M330-R333 HydrophobicContact SD-CG 4.49Å; M330-P334 WeakPolarHBondContact O-CA 3.18Å; M330-V336 HydrophobicContact CB-CB 4.23Å; M330-V336 HydrophobicContact CE-CB 4.42Å; M330-V336 HydrophobicContact CE-CG1 3.94Å; M330-V336 PolarHBondContact N-O 2.7Å; M330-W388 HydrophobicContact CB-CD2 3.98Å; M330-W388 HydrophobicContact CB-CE3 4.26Å; M330-W388 HydrophobicContact CB-CG 4.42Å; M330-W388 HydrophobicContact CB-CZ2 4.25Å; M330-W388 HydrophobicContact CE-CE3 3.98Å; M330-W388 HydrophobicContact CE-CH2 3.47Å; M330-W388 VanDerWaalsContact CE-CH2 3.47Å; M330-W388 HydrophobicContact CE-CZ2 4.17Å; M330-W388 HydrophobicContact CE-CZ3 3.37Å; M330-W388 HydrophobicContact CG-CD2 4.3Å; M330-W388 HydrophobicContact CG-CE3 4.14Å; M330-W388 HydrophobicContact CG-CZ3 4.46Å; M330-T393 HydrophobicContact SD-CG2 3.84Å; M330-V410 HydrophobicContact CE-CG2 3.94Å |
| 331 | P | 95 | Very high | 93.3 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 19% | 0.188 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -38.7 | -174.3 | -31.7 | 38.7 | 0 | 0 | 0 | 115 | Y329 W388 E390 | Y329-P331 WeakPolarHBondContact O-CD 3.46Å; P331-W388 HydrophobicContact CG-CB 4.31Å; P331-E390 VanDerWaalsContact CB-OE2 3.29Å; P331-E390 WeakPolarHBondContact CB-OE2 3.15Å; P331-E390 HydrophobicContact CG-CG 4.46Å; P331-E390 VanDerWaalsContact CG-OE2 3.3Å; P331-E390 WeakPolarHBondContact CG-OE2 3.44Å |
| 332 | Q | 94.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 28.4 Ų | 28.4 | 28% | 0.276 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -21.1 | -178.2 | -49.8 | 83.1 | 9.5 | 0 | 0 | 112.6 | M330 N389 E390 T393 | M330-Q332 VanDerWaalsContact C-N 3.28Å; M330-Q332 VanDerWaalsContact CG-OE1 3.26Å; M330-Q332 PolarHBondContact O-N 3.46Å; M330-Q332 VanDerWaalsContact O-N 3.14Å; Q332-N389 PolarHBondContact NE2-O 3.48Å; Q332-E390 PolarHBondContact NE2-O 3.48Å; Q332-T393 HydrophobicContact CB-CG2 4.23Å; Q332-T393 WeakPolarHBondContact CG-OG1 3.43Å |
| 333 | R | 94.4 | Very high | 93.5 | Very high | 130 Ų | 130 | 30.5 Ų | 30.5 | 49% | 0.491 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 81.2 | 178.2 | -70.3 | 179.9 | 56.3 | 166.6 | -3.2 | 110.4 | M330 E335 V336 | M330-R333 CarbonylContact O-C 3.31Å; M330-R333 PolarHBondContact O-N 2.72Å; M330-R333 HydrophobicContact SD-CB 4.02Å; M330-R333 HydrophobicContact SD-CG 4.49Å; R333-E335 PolarHBondContact O-N 3.45Å; R333-V336 HydrophobicContact CB-CB 4.46Å; R333-V336 HydrophobicContact CB-CG2 4.06Å; R333-V336 WeakPolarHBondContact O-CB 3.26Å; R333-V336 PolarHBondContact O-N 2.99Å |
| 334 | P | 95 | Very high | 93.8 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 25% | 0.253 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -14.9 | -172.7 | -26 | 35.3 | 0 | 0 | 0 | 116.2 | P260 Y329 M330 V336 | P260-P334 HydrophobicContact CG-CB 3.68Å; P260-P334 HydrophobicContact CG-CG 3.38Å; Y329-P334 HydrophobicContact CD2-CB 3.85Å; Y329-P334 HydrophobicContact CD2-CG 4.18Å; Y329-P334 HydrophobicContact CE2-CB 4.38Å; Y329-P334 HydrophobicContact CE2-CG 4.36Å; Y329-P334 HydrophobicContact CG-CB 4.39Å; M330-P334 WeakPolarHBondContact O-CA 3.18Å; P334-V336 VanDerWaalsContact C-N 3.27Å |
| 335 | E | 93.6 | Very high | 93.8 | Very high | 80 Ų | 80 | 31.8 Ų | 31.8 | 37% | 0.374 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -20.5 | 172.1 | -61.5 | -92.7 | -163.7 | 0 | 0 | 112.4 | K316 R333 N350 L351 G352 | K316-E335 IonicContact NZ-OE2 2.77Å; R333-E335 PolarHBondContact O-N 3.45Å; E335-N350 WeakPolarHBondContact CB-OD1 2.76Å; E335-N350 CarbonylContact O-C 3.54Å; E335-N350 WeakPolarHBondContact O-CA 3.21Å; E335-N350 PolarHBondContact O-OD1 2.78Å; E335-L351 PolarHBondContact O-N 2.77Å; E335-G352 WeakPolarHBondContact OE2-CA 3.28Å; E335-G352 PolarHBondContact OE2-N 2.75Å |
| 336 | V | 95.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 9% | 0.085 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.1 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | Y329 M330 R333 P334 V348 F349 N350 | Y329-V336 WeakPolarHBondContact CA-O 3.21Å; M330-V336 HydrophobicContact CB-CB 4.23Å; M330-V336 HydrophobicContact CE-CB 4.42Å; M330-V336 HydrophobicContact CE-CG1 3.94Å; M330-V336 PolarHBondContact N-O 2.7Å; R333-V336 HydrophobicContact CB-CB 4.46Å; R333-V336 HydrophobicContact CB-CG2 4.06Å; R333-V336 WeakPolarHBondContact O-CB 3.26Å; R333-V336 PolarHBondContact O-N 2.99Å; P334-V336 VanDerWaalsContact C-N 3.27Å; V336-V348 HydrophobicContact CG1-CG1 3.7Å; V336-F349 WeakPolarHBondContact CA-O 2.79Å; V336-N350 HydrophobicContact CG2-CB 4.44Å |
| 337 | V | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136 | -174.5 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | L282 L290 V348 F349 L351 | L282-V337 HydrophobicContact CD2-CG1 3.68Å; L282-V337 HydrophobicContact CD2-CG2 4.22Å; L290-V337 HydrophobicContact CD2-CG1 4.03Å; V337-V348 VanDerWaalsContact O-CA 3.31Å; V337-V348 WeakPolarHBondContact O-CA 3.47Å; V337-F349 PolarHBondContact N-O 3.06Å; V337-F349 PolarHBondContact O-N 3.3Å; V337-L351 HydrophobicContact CB-CD1 4.49Å; V337-L351 HydrophobicContact CG2-CD1 3.62Å; V337-L351 HydrophobicContact CG2-CG 4.13Å |
| 338 | A | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 142.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A327 R328 V346 F347 V348 L386 W388 L396 | A327-A338 CarbonylContact C-O 3.52Å; A327-A338 VanDerWaalsContact CA-O 3.28Å; A327-A338 WeakPolarHBondContact CA-O 3.36Å; R328-A338 PolarHBondContact N-O 3Å; R328-A338 PolarHBondContact O-N 2.96Å; A338-V346 HydrophobicContact CB-CG1 4.26Å; A338-F347 CarbonylContact C-O 3.47Å; A338-F347 VanDerWaalsContact CA-O 3.28Å; A338-F347 WeakPolarHBondContact CA-O 3.34Å; A338-V348 HydrophobicContact CB-CG2 4.01Å; A338-L386 HydrophobicContact CB-CD1 4.32Å; A338-L386 HydrophobicContact CB-CD2 3.95Å; A338-L386 HydrophobicContact CB-CG 4.41Å; A338-W388 HydrophobicContact CB-CZ2 3.52Å; A338-L396 HydrophobicContact CB-CD1 4.09Å; A338-L396 HydrophobicContact CB-CD2 3.65Å |
| 339 | M | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 119.7 | -178.2 | 179.4 | -176.7 | 70.3 | 0 | 0 | 109.4 | L290 A320 I324 F347 F349 V368 | L290-M339 HydrophobicContact CB-SD 4.07Å; L290-M339 HydrophobicContact CD2-SD 4.19Å; A320-M339 HydrophobicContact CB-CE 3.32Å; A320-M339 HydrophobicContact CB-SD 3.87Å; I324-M339 HydrophobicContact CD1-CG 4.43Å; I324-M339 HydrophobicContact CD1-SD 3.66Å; I324-M339 HydrophobicContact CG1-CG 4.17Å; I324-M339 HydrophobicContact CG1-SD 3.84Å; I324-M339 HydrophobicContact CG2-CG 3.94Å; M339-F347 HydrophobicContact CB-CB 4.45Å; M339-F347 HydrophobicContact CE-CB 3.9Å; M339-F347 HydrophobicContact CE-CD2 4.23Å; M339-F347 HydrophobicContact CE-CG 4.12Å; M339-F347 PolarHBondContact N-O 3.19Å; M339-F347 PolarHBondContact O-N 2.85Å; M339-F349 HydrophobicContact CB-CE1 4.19Å; M339-F349 HydrophobicContact CE-CE1 3.97Å; M339-F349 HydrophobicContact CE-CZ 4.49Å; M339-F349 HydrophobicContact SD-CE1 4.33Å; M339-F349 HydrophobicContact SD-CZ 4.38Å; M339-V368 HydrophobicContact CE-CG2 4.43Å |
| 340 | K | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 142.9 | 169 | -168.5 | 156.2 | 171.5 | 56 | 0 | 109.3 | T325 R326 V346 S381 G383 L386 G399 | T325-K340 PolarHBondContact N-O 3.06Å; T325-K340 PolarHBondContact OG1-O 3.13Å; R326-K340 PolarHBondContact N-O 2.89Å; R326-K340 PolarHBondContact O-N 2.64Å; K340-V346 HydrophobicContact CB-CG2 4.32Å; K340-V346 HydrophobicContact CD-CG2 4.03Å; K340-V346 HydrophobicContact CG-CG2 4.25Å; K340-S381 PolarHBondContact NZ-O 3.39Å; K340-S381 VanDerWaalsContact NZ-O 3.11Å; K340-G383 VanDerWaalsContact CE-CA 3.46Å; K340-G383 VanDerWaalsContact CE-N 3.29Å; K340-G383 WeakPolarHBondContact CG-O 3.37Å; K340-L386 HydrophobicContact CB-CD2 4.4Å; K340-G399 WeakPolarHBondContact CE-O 3.24Å |
| 341 | C | 88.4 | Confident | 93.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | -176.9 | -173.8 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | A320 S322 E323 R343 | A320-C341 WeakPolarHBondContact CB-SG 3.49Å; S322-C341 WeakPolarHBondContact OG-CB 3.24Å; E323-C341 CarbonylContact O-C 3.52Å; E323-C341 WeakPolarHBondContact O-CA 3.34Å; E323-C341 WeakPolarHBondContact O-CB 3.03Å; C341-R343 PolarHBondContact O-N 3.46Å |
| 342 | Q | 81.8 | Confident | 93.1 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 41% | 0.407 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -55.8 | -17.6 | 166.1 | -88.8 | 179.3 | -11 | 0 | 0 | 114.4 | E323 E382 | E323-Q342 HydrophobicContact CB-CG 4.03Å; E323-Q342 VanDerWaalsContact CG-CD 3.48Å; E323-Q342 HydrophobicContact CG-CG 4.31Å; E323-Q342 PolarHBondContact O-N 3.5Å; E323-Q342 PolarHBondContact OE2-NE2 3.39Å; Q342-E382 WeakPolarHBondContact CG-OE2 3.36Å |
| 343 | R | 83.2 | Confident | 92.9 | Very high | 62 Ų | 62 | 34 Ų | 34 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -83.6 | 149.6 | 175.8 | -64.3 | -175.2 | -65.1 | 94.7 | -3 | 110.7 | A320 S322 C341 E345 F347 | A320-R343 PolarHBondContact O-NE 2.63Å; A320-R343 PolarHBondContact O-NH2 3.04Å; S322-R343 PolarHBondContact OG-NE 2.96Å; C341-R343 PolarHBondContact O-N 3.46Å; R343-E345 VanDerWaalsContact C-N 3.28Å; R343-E345 IonicContact NH1-OE2 3.85Å; R343-E345 PolarHBondContact NH1-OE2 3.09Å; R343-E345 PolarHBondContact O-N 3.44Å; R343-F347 VanDerWaalsContact CZ-CZ 3.45Å |
| 344 | P | 89.1 | Confident | 92.7 | Very high | 43 Ų | 43 | 28.7 Ų | 28.7 | 28% | 0.279 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -61.3 | -35.5 | -177.6 | -23.3 | 33.7 | 0 | 0 | 0 | 113.6 | H379 S381 | P344-H379 VanDerWaalsContact CB-O 3.27Å; P344-H379 WeakPolarHBondContact CB-O 3.39Å; P344-H379 WeakPolarHBondContact O-CB 3.35Å; P344-S381 WeakPolarHBondContact CA-O 3.38Å |
| 345 | E | 92.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -75.1 | 145.1 | -176.1 | -51.9 | 91.3 | 164.5 | 0 | 0 | 113.4 | R343 F347 L376 K377 | R343-E345 VanDerWaalsContact C-N 3.28Å; R343-E345 IonicContact NH1-OE2 3.85Å; R343-E345 PolarHBondContact NH1-OE2 3.09Å; R343-E345 PolarHBondContact O-N 3.44Å; E345-F347 HydrophobicContact CB-CE2 4.05Å; E345-F347 HydrophobicContact CB-CZ 4.27Å; E345-F347 WeakPolarHBondContact O-CE2 3.43Å; E345-L376 WeakPolarHBondContact CA-O 2.9Å; E345-K377 HydrophobicContact CG-CG 4.3Å |
| 346 | V | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134.1 | 168 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | A338 K340 L376 L386 L396 W408 | A338-V346 HydrophobicContact CB-CG1 4.26Å; K340-V346 HydrophobicContact CB-CG2 4.32Å; K340-V346 HydrophobicContact CD-CG2 4.03Å; K340-V346 HydrophobicContact CG-CG2 4.25Å; V346-L376 HydrophobicContact CB-CB 4.1Å; V346-L376 HydrophobicContact CB-CD1 4.15Å; V346-L376 HydrophobicContact CB-CG 4.3Å; V346-L376 HydrophobicContact CG1-CD1 4.1Å; V346-L376 PolarHBondContact N-O 3.16Å; V346-L376 PolarHBondContact O-N 3.11Å; V346-L386 HydrophobicContact CG1-CD1 3.96Å; V346-L386 HydrophobicContact CG2-CD1 4.47Å; V346-L396 HydrophobicContact CG1-CD2 4.09Å; V346-W408 HydrophobicContact CG2-CH2 4.29Å |
| 347 | F | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.2 | 178.6 | -69.9 | -92.2 | 0 | 0 | 0 | 110.3 | A338 M339 R343 E345 F349 V368 H373 L374 K375 | A338-F347 CarbonylContact C-O 3.47Å; A338-F347 VanDerWaalsContact CA-O 3.28Å; A338-F347 WeakPolarHBondContact CA-O 3.34Å; M339-F347 HydrophobicContact CB-CB 4.45Å; M339-F347 HydrophobicContact CE-CB 3.9Å; M339-F347 HydrophobicContact CE-CD2 4.23Å; M339-F347 HydrophobicContact CE-CG 4.12Å; M339-F347 PolarHBondContact N-O 3.19Å; M339-F347 PolarHBondContact O-N 2.85Å; R343-F347 VanDerWaalsContact CZ-CZ 3.45Å; E345-F347 HydrophobicContact CB-CE2 4.05Å; E345-F347 HydrophobicContact CB-CZ 4.27Å; E345-F347 WeakPolarHBondContact O-CE2 3.43Å; F347-F349 HydrophobicContact CB-CD1 4.19Å; F347-F349 HydrophobicContact CB-CE1 4.2Å; F347-V368 HydrophobicContact CB-CG2 4.24Å; F347-V368 HydrophobicContact CD1-CG1 4.04Å; F347-V368 HydrophobicContact CD1-CG2 3.66Å; F347-V368 HydrophobicContact CE1-CG1 4.13Å; F347-V368 HydrophobicContact CE1-CG2 4.49Å; F347-V368 HydrophobicContact CG-CG2 4.13Å; F347-H373 AromaticContact CD1-CD2 3.77Å; F347-H373 AromaticContact CE1-CD2 3.95Å; F347-L374 WeakPolarHBondContact CA-O 3.44Å; F347-K375 HydrophobicContact CD1-CG 4.35Å; F347-K375 HydrophobicContact CE1-CD 3.99Å; F347-K375 HydrophobicContact CE1-CG 3.75Å; F347-K375 HydrophobicContact CZ-CD 4.24Å; F347-K375 HydrophobicContact CZ-CG 4.23Å |
| 348 | V | 96.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125 | 170.7 | -179 | 0 | 0 | 0 | 0 | 109.7 | V336 V337 A338 H373 L374 L376 W388 L396 V410 | V336-V348 HydrophobicContact CG1-CG1 3.7Å; V337-V348 VanDerWaalsContact O-CA 3.31Å; V337-V348 WeakPolarHBondContact O-CA 3.47Å; A338-V348 HydrophobicContact CB-CG2 4.01Å; V348-H373 CarbonylContact O-C 3.52Å; V348-H373 WeakPolarHBondContact O-CA 3.26Å; V348-L374 HydrophobicContact CB-CB 4.28Å; V348-L374 PolarHBondContact N-O 2.96Å; V348-L374 PolarHBondContact O-N 2.95Å; V348-L376 HydrophobicContact CG2-CD1 3.7Å; V348-L376 HydrophobicContact CG2-CD2 4.34Å; V348-L376 HydrophobicContact CG2-CG 4.06Å; V348-W388 HydrophobicContact CG1-CH2 4.07Å; V348-W388 HydrophobicContact CG1-CZ2 4.19Å; V348-W388 HydrophobicContact CG2-CH2 4.23Å; V348-W388 HydrophobicContact CG2-CZ2 4.29Å; V348-L396 HydrophobicContact CG2-CD2 4.18Å; V348-V410 HydrophobicContact CG2-CG1 4.31Å |
| 349 | F | 94.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 162 | 179.8 | 53.4 | -86.5 | 0 | 0 | 0 | 111.5 | L290 V318 V336 V337 M339 F347 L351 V368 L371 H373 | L290-F349 HydrophobicContact CD2-CE2 4.12Å; L290-F349 HydrophobicContact CD2-CZ 3.56Å; V318-F349 HydrophobicContact CB-CE2 4.26Å; V318-F349 HydrophobicContact CB-CZ 4.36Å; V318-F349 HydrophobicContact CG1-CE2 4.11Å; V318-F349 HydrophobicContact CG1-CZ 4.04Å; V318-F349 HydrophobicContact CG2-CE2 4.05Å; V336-F349 WeakPolarHBondContact CA-O 2.79Å; V337-F349 PolarHBondContact N-O 3.06Å; V337-F349 PolarHBondContact O-N 3.3Å; M339-F349 HydrophobicContact CB-CE1 4.19Å; M339-F349 HydrophobicContact CE-CE1 3.97Å; M339-F349 HydrophobicContact CE-CZ 4.49Å; M339-F349 HydrophobicContact SD-CE1 4.33Å; M339-F349 HydrophobicContact SD-CZ 4.38Å; F347-F349 HydrophobicContact CB-CD1 4.19Å; F347-F349 HydrophobicContact CB-CE1 4.2Å; F349-L351 HydrophobicContact CD2-CD2 4.23Å; F349-L351 HydrophobicContact CD2-CG 4.46Å; F349-L351 HydrophobicContact CE2-CD2 3.72Å; F349-L351 HydrophobicContact CE2-CG 4.16Å; F349-V368 HydrophobicContact CD1-CG2 3.94Å; F349-V368 HydrophobicContact CE1-CG2 4.06Å; F349-L371 HydrophobicContact CD2-CD1 4.05Å; F349-L371 HydrophobicContact CE2-CD1 4.48Å; F349-L371 HydrophobicContact CG-CD1 4.44Å; F349-H373 HydrophobicContact CB-CB 3.98Å |
| 350 | N | 94 | Very high | 88.8 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 105.1 | -178 | -175.9 | -3.9 | 0 | 0 | 0 | 110.4 | E335 V336 G352 L353 | E335-N350 WeakPolarHBondContact CB-OD1 2.76Å; E335-N350 CarbonylContact O-C 3.54Å; E335-N350 WeakPolarHBondContact O-CA 3.21Å; E335-N350 PolarHBondContact O-OD1 2.78Å; V336-N350 HydrophobicContact CG2-CB 4.44Å; N350-G352 PolarHBondContact O-N 2.8Å; N350-G352 WeakPolarHBondContact OD1-CA 3.32Å; N350-G352 PolarHBondContact OD1-N 2.84Å; N350-L353 HydrophobicContact CB-CD1 4.01Å; N350-L353 HydrophobicContact CB-CG 4.08Å; N350-L353 PolarHBondContact O-N 3.07Å |
| 351 | L | 93.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -60.7 | -27.4 | 174.7 | -74.5 | 177.9 | 0 | 0 | 0 | 112.2 | L282 K316 V318 E335 V337 F349 L353 L354 | L282-L351 HydrophobicContact CD1-CD1 4.12Å; K316-L351 HydrophobicContact CD-CB 4.34Å; K316-L351 PolarHBondContact NZ-O 3.16Å; V318-L351 HydrophobicContact CG2-CD2 4.01Å; E335-L351 PolarHBondContact O-N 2.77Å; V337-L351 HydrophobicContact CB-CD1 4.49Å; V337-L351 HydrophobicContact CG2-CD1 3.62Å; V337-L351 HydrophobicContact CG2-CG 4.13Å; F349-L351 HydrophobicContact CD2-CD2 4.23Å; F349-L351 HydrophobicContact CD2-CG 4.46Å; F349-L351 HydrophobicContact CE2-CD2 3.72Å; F349-L351 HydrophobicContact CE2-CG 4.16Å; L351-L353 PolarHBondContact O-N 2.8Å; L351-L353 VanDerWaalsContact O-N 3.16Å; L351-L354 HydrophobicContact CD2-CD1 4.01Å; L351-L354 WeakPolarHBondContact O-CB 3.42Å; L351-L354 PolarHBondContact O-N 3.32Å |
| 352 | G | 90.2 | Very high | 87.2 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -61.7 | -22.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E335 N350 L354 | E335-G352 WeakPolarHBondContact OE2-CA 3.28Å; E335-G352 PolarHBondContact OE2-N 2.75Å; N350-G352 PolarHBondContact O-N 2.8Å; N350-G352 WeakPolarHBondContact OD1-CA 3.32Å; N350-G352 PolarHBondContact OD1-N 2.84Å; G352-L354 PolarHBondContact O-N 3.42Å |
| 353 | L | 89.8 | Confident | 87.2 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 62% | 0.623 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -76.6 | -10 | 175.1 | -59.5 | 177.7 | 0 | 0 | 0 | 113 | N350 L351 | N350-L353 HydrophobicContact CB-CD1 4.01Å; N350-L353 HydrophobicContact CB-CG 4.08Å; N350-L353 PolarHBondContact O-N 3.07Å; L351-L353 PolarHBondContact O-N 2.8Å; L351-L353 VanDerWaalsContact O-N 3.16Å |
| 354 | L | 90.6 | Very high | 87.2 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -93.6 | 133.4 | 178.6 | -61.5 | -178.8 | 0 | 0 | 0 | 111.7 | K316 V318 L351 G352 K366 L371 | K316-L354 HydrophobicContact CD-CB 4.03Å; K316-L354 WeakPolarHBondContact CE-O 3.41Å; K316-L354 PolarHBondContact NZ-O 3.08Å; K316-L354 VanDerWaalsContact NZ-O 3.11Å; V318-L354 HydrophobicContact CG2-CD1 3.56Å; L351-L354 HydrophobicContact CD2-CD1 4.01Å; L351-L354 WeakPolarHBondContact O-CB 3.42Å; L351-L354 PolarHBondContact O-N 3.32Å; G352-L354 PolarHBondContact O-N 3.42Å; L354-K366 HydrophobicContact CD2-CD 3.63Å; L354-L371 HydrophobicContact CD1-CD1 4.25Å; L354-L371 HydrophobicContact CD2-CD2 3.62Å |
| 355 | R | 89 | Confident | 87 | Confident | 158 Ų | 158 | 68.6 Ų | 68.6 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 137.5 | 165.6 | -177.3 | 176 | 175.5 | -131.6 | -4.9 | 109.2 | E358 E361 | R355-E358 IonicContact NH2-OE1 2.88Å; R355-E358 PolarHBondContact NH2-OE1 2.92Å; R355-E361 IonicContact CZ-OE1 3.59Å; R355-E361 VanDerWaalsContact CZ-OE1 3.3Å; R355-E361 IonicContact NH1-OE1 3.16Å; R355-E361 PolarHBondContact NH1-OE1 2.81Å; R355-E361 IonicContact NH1-OE2 3.3Å; R355-E361 IonicContact NH2-OE1 2.93Å; R355-E361 PolarHBondContact NH2-OE1 3.12Å; R355-E361 IonicContact NH2-OE2 2.8Å |
| 356 | S | 88.7 | Confident | 86.8 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 138.8 | 172.7 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | V315 K316 | V315-S356 WeakPolarHBondContact CG1-OG 3.36Å; V315-S356 CarbonylContact O-C 3.47Å; V315-S356 WeakPolarHBondContact O-CA 3.2Å; K316-S356 VanDerWaalsContact CE-OG 3.32Å; K316-S356 WeakPolarHBondContact CE-OG 3.45Å |
| 357 | Y | 87.2 | Confident | 86.5 | Confident | 29 Ų | 29 | 77.7 Ų | 77.7 | 11% | 0.114 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 140 | 177.2 | -55.8 | -61.7 | 0 | 0 | 0 | 112 | R313 I314 V315 A317 E361 V363 V364 | R313-Y357 PolarHBondContact NH2-O 2.96Å; I314-Y357 HydrophobicContact CG2-CD2 4.44Å; I314-Y357 HydrophobicContact CG2-CE2 4.39Å; V315-Y357 WeakPolarHBondContact O-CD2 3.43Å; V315-Y357 PolarHBondContact O-N 2.97Å; A317-Y357 HydrophobicContact CB-CE2 4.32Å; Y357-E361 WeakPolarHBondContact CA-OE2 3.45Å; Y357-V363 HydrophobicContact CD2-CG1 4.36Å; Y357-V363 HydrophobicContact CD2-CG2 4.26Å; Y357-V363 HydrophobicContact CE2-CB 4.35Å; Y357-V363 HydrophobicContact CE2-CG1 3.74Å; Y357-V363 HydrophobicContact CE2-CG2 4.45Å; Y357-V364 HydrophobicContact CE1-CB 4.4Å; Y357-V364 VanDerWaalsContact OH-C 3.27Å; Y357-V364 PolarHBondContact OH-N 2.99Å; Y357-V364 PolarHBondContact OH-O 2.93Å |
| 358 | E | 82.2 | Confident | 86.2 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -75 | 161.9 | 167.3 | -63.3 | -176.9 | -162.7 | 0 | 0 | 111.1 | R355 H360 E361 | R355-E358 IonicContact NH2-OE1 2.88Å; R355-E358 PolarHBondContact NH2-OE1 2.92Å; E358-H360 PolarHBondContact O-N 3.13Å; E358-H360 VanDerWaalsContact O-N 3.11Å; E358-E361 HydrophobicContact CB-CG 3.95Å; E358-E361 PolarHBondContact N-OE2 3.25Å; E358-E361 PolarHBondContact O-N 2.73Å |
| 359 | R | 72.4 | Confident | 85.8 | Confident | 157 Ų | 157 | 82 Ų | 82 | 59% | 0.592 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.5 | -169.8 | -76.5 | -170.8 | -175.6 | 166.2 | 9.6 | 115.1 | R278 | R278-R359 VanDerWaalsContact NH2-NH2 3.12Š|
| 360 | H | 74.5 | Confident | 85.5 | Confident | 186 Ų | 186 | 85.6 Ų | 85.6 | 86% | 0.861 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 2.5 | -176.6 | -52.2 | 104.2 | 0 | 0 | 0 | 112.4 | E358 | E358-H360 PolarHBondContact O-N 3.13Å; E358-H360 VanDerWaalsContact O-N 3.11Å |
| 361 | E | 74.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 85 Ų | 85 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -78.1 | 144.3 | 176.7 | -76.5 | 178.5 | 160.9 | 0 | 0 | 110.3 | R355 Y357 E358 | R355-E361 IonicContact CZ-OE1 3.59Å; R355-E361 VanDerWaalsContact CZ-OE1 3.3Å; R355-E361 IonicContact NH1-OE1 3.16Å; R355-E361 PolarHBondContact NH1-OE1 2.81Å; R355-E361 IonicContact NH1-OE2 3.3Å; R355-E361 IonicContact NH2-OE1 2.93Å; R355-E361 PolarHBondContact NH2-OE1 3.12Å; R355-E361 IonicContact NH2-OE2 2.8Å; Y357-E361 WeakPolarHBondContact CA-OE2 3.45Å; E358-E361 HydrophobicContact CB-CG 3.95Å; E358-E361 PolarHBondContact N-OE2 3.25Å; E358-E361 PolarHBondContact O-N 2.73Å |
| 362 | Q | 77 | Confident | 84.9 | Confident | 176 Ų | 176 | 90.9 Ų | 90.9 | 82% | 0.822 | 46% | 0.455 | S | S | * | . | trans | -69.5 | 138.8 | 168.7 | -72.5 | -175.9 | -11.4 | 0 | 0 | 110.1 | V364 | Q362-V364 PolarHBondContact O-N 3.42Š| ||
| 363 | V | 80.4 | Confident | 85 | Confident | 64 Ų | 64 | 90.1 Ų | 90.1 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | trans | -71.6 | 114.9 | 178 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | I314 A317 Y357 V365 | I314-V363 HydrophobicContact CB-CG2 4.09Å; I314-V363 HydrophobicContact CD1-CG2 4.45Å; I314-V363 HydrophobicContact CG2-CG1 4.04Å; I314-V363 HydrophobicContact CG2-CG2 4.23Å; A317-V363 HydrophobicContact CB-CG1 3.73Å; Y357-V363 HydrophobicContact CD2-CG1 4.36Å; Y357-V363 HydrophobicContact CD2-CG2 4.26Å; Y357-V363 HydrophobicContact CE2-CB 4.35Å; Y357-V363 HydrophobicContact CE2-CG1 3.74Å; Y357-V363 HydrophobicContact CE2-CG2 4.45Å; V363-V365 HydrophobicContact CG1-CG2 4.45Å | ||
| 364 | V | 82.8 | Confident | 85.2 | Confident | 98 Ų | 98 | 86.2 Ų | 86.2 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | trans | -102.3 | 94.6 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | Y357 Q362 K366 | Y357-V364 HydrophobicContact CE1-CB 4.4Å; Y357-V364 VanDerWaalsContact OH-C 3.27Å; Y357-V364 PolarHBondContact OH-N 2.99Å; Y357-V364 PolarHBondContact OH-O 2.93Å; Q362-V364 PolarHBondContact O-N 3.42Å; V364-K366 PolarHBondContact O-N 3.19Å; V364-K366 VanDerWaalsContact O-N 3.09Å | ||
| 365 | V | 85.1 | Confident | 85.3 | Confident | 65 Ų | 65 | 88 Ų | 88 | 39% | 0.394 | 43% | 0.43 | S | S | . | . | trans | -62.4 | 115.3 | -177.5 | -171.7 | 0 | 0 | 0 | 0 | 111 | V289 A317 V363 | V289-V365 HydrophobicContact CG1-CG1 3.88Å; V289-V365 HydrophobicContact CG1-CG2 4.35Å; V289-V365 HydrophobicContact CG2-CG1 4.07Å; A317-V365 HydrophobicContact CB-CG1 4.47Å; A317-V365 HydrophobicContact CB-CG2 4.13Å; V363-V365 HydrophobicContact CG1-CG2 4.45Å | ||
| 366 | K | 88.9 | Confident | 85.6 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.4 | 177.9 | -66.1 | -166.9 | -179.1 | -168.7 | 0 | 110.5 | A317 V318 S319 L354 V364 L371 | A317-K366 PolarHBondContact O-N 3.05Å; V318-K366 CarbonylContact C-O 2.98Å; V318-K366 VanDerWaalsContact CA-O 3.26Å; V318-K366 WeakPolarHBondContact CA-O 3.18Å; S319-K366 PolarHBondContact N-O 2.97Å; L354-K366 HydrophobicContact CD2-CD 3.63Å; V364-K366 PolarHBondContact O-N 3.19Å; V364-K366 VanDerWaalsContact O-N 3.09Å; K366-L371 HydrophobicContact CB-CD2 4.34Å; K366-L371 HydrophobicContact CD-CD2 4.12Å |
| 367 | K | 90.5 | Very high | 85.8 | Confident | 152 Ų | 152 | 83.6 Ų | 83.6 | 66% | 0.661 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 137.7 | 173.1 | -65.7 | -173.7 | 178 | -175.3 | 0 | 110.1 | D369 S370 | K367-D369 PolarHBondContact O-N 3.25Å; K367-S370 WeakPolarHBondContact O-CB 3.44Å; K367-S370 PolarHBondContact O-N 3.3Å; K367-S370 PolarHBondContact O-OG 3.29Å |
| 368 | V | 89.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -55.7 | -36.9 | 178.8 | 68 | 0 | 0 | 0 | 0 | 111.9 | V318 S319 M339 F347 F349 S370 L371 H373 | V318-V368 HydrophobicContact CG1-CB 4.1Å; V318-V368 HydrophobicContact CG1-CG2 4.49Å; S319-V368 WeakPolarHBondContact O-CB 3.5Å; S319-V368 PolarHBondContact O-N 3Å; M339-V368 HydrophobicContact CE-CG2 4.43Å; F347-V368 HydrophobicContact CB-CG2 4.24Å; F347-V368 HydrophobicContact CD1-CG1 4.04Å; F347-V368 HydrophobicContact CD1-CG2 3.66Å; F347-V368 HydrophobicContact CE1-CG1 4.13Å; F347-V368 HydrophobicContact CE1-CG2 4.49Å; F347-V368 HydrophobicContact CG-CG2 4.13Å; F349-V368 HydrophobicContact CD1-CG2 3.94Å; F349-V368 HydrophobicContact CE1-CG2 4.06Å; V368-S370 PolarHBondContact O-N 2.87Å; V368-L371 WeakPolarHBondContact O-CB 3.21Å; V368-L371 PolarHBondContact O-N 2.77Å; V368-H373 HydrophobicContact CG2-CB 4.23Å; V368-H373 PolarHBondContact O-ND1 3.09Å; V368-H373 VanDerWaalsContact O-ND1 3.08Å |
| 369 | D | 86.8 | Confident | 86.6 | Confident | 96 Ų | 96 | 78 Ų | 78 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.9 | 177.8 | -61.9 | -65.6 | 0 | 0 | 0 | 113.8 | K367 L371 H373 K375 | K367-D369 PolarHBondContact O-N 3.25Å; D369-L371 VanDerWaalsContact C-N 3.29Å; D369-H373 IonicContact OD1-CE1 3.98Å; D369-H373 IonicContact OD1-NE2 2.96Å; D369-K375 IonicContact OD1-NZ 3.95Å; D369-K375 PolarHBondContact OD1-NZ 2.02Å |
| 370 | S | 88.4 | Confident | 87.5 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -81.7 | -7.6 | 173.8 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | K367 V368 | K367-S370 WeakPolarHBondContact O-CB 3.44Å; K367-S370 PolarHBondContact O-N 3.3Å; K367-S370 PolarHBondContact O-OG 3.29Å; V368-S370 PolarHBondContact O-N 2.87Å |
| 371 | L | 87.8 | Confident | 88.2 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 14% | 0.141 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -97 | 156.8 | 178.8 | -50.8 | -175.4 | 0 | 0 | 0 | 110.3 | V318 F349 L354 K366 V368 D369 H373 | V318-L371 HydrophobicContact CB-CD1 4.48Å; V318-L371 HydrophobicContact CG1-CD1 3.68Å; V318-L371 HydrophobicContact CG2-CD1 3.89Å; F349-L371 HydrophobicContact CD2-CD1 4.05Å; F349-L371 HydrophobicContact CE2-CD1 4.48Å; F349-L371 HydrophobicContact CG-CD1 4.44Å; L354-L371 HydrophobicContact CD1-CD1 4.25Å; L354-L371 HydrophobicContact CD2-CD2 3.62Å; K366-L371 HydrophobicContact CB-CD2 4.34Å; K366-L371 HydrophobicContact CD-CD2 4.12Å; V368-L371 WeakPolarHBondContact O-CB 3.21Å; V368-L371 PolarHBondContact O-N 2.77Å; D369-L371 VanDerWaalsContact C-N 3.29Å; L371-H373 VanDerWaalsContact C-N 3.35Å; L371-H373 PolarHBondContact O-N 3.42Å; L371-H373 PolarHBondContact O-ND1 2.81Å |
| 372 | N | 88 | Confident | 88.7 | Confident | 129 Ų | 129 | 70.1 Ų | 70.1 | 69% | 0.69 | 36% | 0.36 | S | S | * | . | trans | -71.3 | 94.8 | 163.7 | -172 | 13.1 | 0 | 0 | 0 | 108.7 | ||||
| 373 | H | 91.1 | Very high | 89.2 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.1 | -175.2 | 67.7 | -80.9 | 0 | 0 | 0 | 110.8 | F347 V348 F349 V368 D369 L371 K375 | F347-H373 AromaticContact CD1-CD2 3.77Å; F347-H373 AromaticContact CE1-CD2 3.95Å; V348-H373 CarbonylContact O-C 3.52Å; V348-H373 WeakPolarHBondContact O-CA 3.26Å; F349-H373 HydrophobicContact CB-CB 3.98Å; V368-H373 HydrophobicContact CG2-CB 4.23Å; V368-H373 PolarHBondContact O-ND1 3.09Å; V368-H373 VanDerWaalsContact O-ND1 3.08Å; D369-H373 IonicContact OD1-CE1 3.98Å; D369-H373 IonicContact OD1-NE2 2.96Å; L371-H373 VanDerWaalsContact C-N 3.35Å; L371-H373 PolarHBondContact O-N 3.42Å; L371-H373 PolarHBondContact O-ND1 2.81Å; H373-K375 WeakPolarHBondContact NE2-CE 3.16Å |
| 374 | L | 93.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.7 | 168.6 | -59.1 | 175.8 | 0 | 0 | 0 | 108.9 | F347 V348 L376 V410 T413 S418 | F347-L374 WeakPolarHBondContact CA-O 3.44Å; V348-L374 HydrophobicContact CB-CB 4.28Å; V348-L374 PolarHBondContact N-O 2.96Å; V348-L374 PolarHBondContact O-N 2.95Å; L374-L376 HydrophobicContact CB-CD2 4.21Å; L374-V410 HydrophobicContact CD1-CB 4.09Å; L374-T413 HydrophobicContact CD2-CG2 4.12Å; L374-S418 CarbonylContact C-O 3.53Å; L374-S418 WeakPolarHBondContact CA-O 3.33Å |
| 375 | K | 93.2 | Very high | 90.4 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 111.3 | 167.8 | -56.7 | -166.9 | -174.5 | -162.8 | 0 | 108 | F347 D369 H373 S418 V419 C420 | F347-K375 HydrophobicContact CD1-CG 4.35Å; F347-K375 HydrophobicContact CE1-CD 3.99Å; F347-K375 HydrophobicContact CE1-CG 3.75Å; F347-K375 HydrophobicContact CZ-CD 4.24Å; F347-K375 HydrophobicContact CZ-CG 4.23Å; D369-K375 IonicContact OD1-NZ 3.95Å; D369-K375 PolarHBondContact OD1-NZ 2.02Å; H373-K375 WeakPolarHBondContact NE2-CE 3.16Å; K375-S418 PolarHBondContact N-O 3.16Å; K375-V419 WeakPolarHBondContact O-CA 3.1Å; K375-C420 PolarHBondContact O-N 2.87Å |
| 376 | L | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 119.9 | 175.2 | -44.2 | -175 | 0 | 0 | 0 | 108.4 | E345 V346 V348 L374 L396 W408 V410 C420 | E345-L376 WeakPolarHBondContact CA-O 2.9Å; V346-L376 HydrophobicContact CB-CB 4.1Å; V346-L376 HydrophobicContact CB-CD1 4.15Å; V346-L376 HydrophobicContact CB-CG 4.3Å; V346-L376 HydrophobicContact CG1-CD1 4.1Å; V346-L376 PolarHBondContact N-O 3.16Å; V346-L376 PolarHBondContact O-N 3.11Å; V348-L376 HydrophobicContact CG2-CD1 3.7Å; V348-L376 HydrophobicContact CG2-CD2 4.34Å; V348-L376 HydrophobicContact CG2-CG 4.06Å; L374-L376 HydrophobicContact CB-CD2 4.21Å; L376-L396 HydrophobicContact CD1-CD2 3.53Å; L376-W408 HydrophobicContact CB-CD2 3.97Å; L376-W408 HydrophobicContact CB-CG 4.13Å; L376-W408 HydrophobicContact CB-CZ2 4.01Å; L376-W408 HydrophobicContact CD1-CB 4.18Å; L376-W408 HydrophobicContact CD1-CD2 3.87Å; L376-W408 HydrophobicContact CD1-CE3 4.06Å; L376-W408 HydrophobicContact CD1-CG 3.94Å; L376-W408 HydrophobicContact CD2-CG 4.48Å; L376-W408 HydrophobicContact CG-CG 4.42Å; L376-V410 HydrophobicContact CD1-CG1 4.13Å; L376-V410 HydrophobicContact CD2-CG1 3.96Å; L376-C420 WeakPolarHBondContact CA-O 3.29Å; L376-C420 HydrophobicContact CD2-CB 3.46Å; L376-C420 VanDerWaalsContact CD2-CB 3.46Å |
| 377 | K | 93.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 51.2 Ų | 51.2 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | trans | -103.3 | 146.1 | 178.5 | -67.2 | -168.8 | 175.2 | -166.5 | 0 | 110.1 | E345 W408 V419 C420 T422 | E345-K377 HydrophobicContact CG-CG 4.3Å; K377-W408 PolarHBondContact O-NE1 2.65Å; K377-V419 HydrophobicContact CD-CG1 3.82Å; K377-V419 HydrophobicContact CG-CG1 3.95Å; K377-C420 PolarHBondContact N-O 3.18Å; K377-T422 WeakPolarHBondContact O-CG2 3.27Å | ||
| 378 | G | 91.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | trans | 163.8 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 379 | H | 94.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | trans | -88.2 | 159.8 | 176.1 | -66.4 | -57.6 | 0 | 0 | 0 | 113.4 | P344 S398 S400 D402 V404 C406 W408 | P344-H379 VanDerWaalsContact CB-O 3.27Å; P344-H379 WeakPolarHBondContact CB-O 3.39Å; P344-H379 WeakPolarHBondContact O-CB 3.35Å; H379-S398 PolarHBondContact CD2-OG 2.05Å; H379-S398 PolarHBondContact NE2-O 2.98Å; H379-S398 PolarHBondContact NE2-OG 3.26Å; H379-S400 VanDerWaalsContact CE1-CB 3.48Å; H379-S400 WeakPolarHBondContact CE1-CB 3.46Å; H379-S400 WeakPolarHBondContact ND1-CB 3.48Å; H379-D402 VanDerWaalsContact CA-OD2 3.3Å; H379-D402 WeakPolarHBondContact CA-OD2 3.23Å; H379-D402 VanDerWaalsContact CB-OD2 3.23Å; H379-D402 WeakPolarHBondContact CB-OD2 3.49Å; H379-D402 IonicContact CG-OD2 2.86Å; H379-D402 IonicContact ND1-OD1 2.74Å; H379-D402 PolarHBondContact ND1-OD1 3.36Å; H379-D402 IonicContact ND1-OD2 2.77Å; H379-D402 PolarHBondContact ND1-OD2 3.5Å; H379-V404 PolarHBondContact CE1-O 3.38Å; H379-C406 PolarHBondContact CE1-SG 3.06Å; H379-W408 AromaticContact CD2-CH2 3.79Å; H379-W408 AromaticContact NE2-CH2 3.71Å | ||
| 380 | F | 90.1 | Very high | 92.5 | Very high | 169 Ų | 169 | 43.3 Ų | 43.3 | 74% | 0.741 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -117.1 | -7.9 | 174.5 | -55.7 | -80.9 | 0 | 0 | 0 | 112.7 | D402 | F380-D402 HydrophobicContact CB-CB 4.4Å; F380-D402 PolarHBondContact N-OD2 3.16Å |
| 381 | S | 88.6 | Confident | 92.8 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -136.3 | 174.5 | 178.9 | -161.2 | 0 | 0 | 0 | 0 | 113 | K340 P344 S400 D402 | K340-S381 PolarHBondContact NZ-O 3.39Å; K340-S381 VanDerWaalsContact NZ-O 3.11Å; P344-S381 WeakPolarHBondContact CA-O 3.38Å; S381-S400 PolarHBondContact O-OG 3.12Å; S381-D402 PolarHBondContact N-OD2 3.15Å; S381-D402 VanDerWaalsContact N-OD2 3.09Å |
| 382 | E | 85.7 | Confident | 93.2 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | trans | -71.2 | 172.9 | 170.8 | 71.1 | 175 | 164.6 | 0 | 0 | 112.2 | Q342 S400 R401 | Q342-E382 WeakPolarHBondContact CG-OE2 3.36Å; E382-S400 PolarHBondContact O-OG 3.48Å; E382-R401 HydrophobicContact CG-CG 4.47Å; E382-R401 PolarHBondContact O-N 3.27Å; E382-R401 IonicContact OE1-CZ 3.39Å; E382-R401 IonicContact OE1-NE 2.95Å; E382-R401 IonicContact OE1-NH1 3.59Å; E382-R401 PolarHBondContact OE1-NH1 3.12Å | ||
| 383 | G | 87.6 | Confident | 93.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | 177.8 | 167.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T325 K340 | T325-G383 WeakPolarHBondContact CB-O 3.35Å; T325-G383 PolarHBondContact OG1-O 2.79Å; K340-G383 VanDerWaalsContact CE-CA 3.46Å; K340-G383 VanDerWaalsContact CE-N 3.29Å; K340-G383 WeakPolarHBondContact CG-O 3.37Å | ||
| 384 | F | 92.9 | Very high | 93.8 | Very high | 68 Ų | 68 | 44.7 Ų | 44.7 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -108.7 | -25.2 | -172.5 | -64 | -91.3 | 0 | 0 | 0 | 112.9 | T325 R326 L386 | T325-F384 HydrophobicContact CG2-CD1 4.45Å; T325-F384 HydrophobicContact CG2-CE1 4.04Å; T325-F384 HydrophobicContact CG2-CZ 4.22Å; R326-F384 VanDerWaalsContact CB-O 3.28Å; R326-F384 WeakPolarHBondContact CB-O 3.17Å; R326-F384 VanDerWaalsContact CD-O 3.31Å; R326-F384 WeakPolarHBondContact CD-O 3.4Å; R326-F384 WeakPolarHBondContact CG-O 3.34Å; F384-L386 PolarHBondContact O-N 2.97Å |
| 385 | G | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -67 | 120 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S398 G399 N434 | G385-S398 WeakPolarHBondContact O-CA 3.4Å; G385-S398 WeakPolarHBondContact O-CB 3.39Å; G385-G399 PolarHBondContact O-N 2.91Å; G385-N434 PolarHBondContact N-O 3.08Å | ||
| 386 | L | 97.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 116.8 | 174.5 | -169.4 | 69 | 0 | 0 | 0 | 110.1 | R326 R328 A338 K340 V346 F384 L396 L397 | R326-L386 HydrophobicContact CB-CB 4.02Å; R326-L386 HydrophobicContact CB-CD2 4.33Å; R326-L386 HydrophobicContact CG-CB 3.73Å; R326-L386 HydrophobicContact CG-CD2 4.45Å; R328-L386 HydrophobicContact CB-CD2 4.44Å; R328-L386 HydrophobicContact CG-CD2 4.46Å; A338-L386 HydrophobicContact CB-CD1 4.32Å; A338-L386 HydrophobicContact CB-CD2 3.95Å; A338-L386 HydrophobicContact CB-CG 4.41Å; K340-L386 HydrophobicContact CB-CD2 4.4Å; V346-L386 HydrophobicContact CG1-CD1 3.96Å; V346-L386 HydrophobicContact CG2-CD1 4.47Å; F384-L386 PolarHBondContact O-N 2.97Å; L386-L396 HydrophobicContact CD1-CD1 3.83Å; L386-L396 HydrophobicContact CD1-CD2 4.11Å; L386-L396 HydrophobicContact CD1-CG 4.17Å; L386-L396 HydrophobicContact CG-CD1 4.2Å; L386-L397 WeakPolarHBondContact CA-O 3.48Å |
| 387 | S | 98 | Very high | 94.3 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 119.6 | -174.2 | -166.5 | 0 | 0 | 0 | 0 | 112.5 | L397 V436 W438 | S387-L397 PolarHBondContact N-O 3.41Å; S387-L397 PolarHBondContact O-N 2.9Å; S387-V436 WeakPolarHBondContact CB-O 3.3Å; S387-W438 PolarHBondContact O-NE1 3.48Å; S387-W438 VanDerWaalsContact O-NE1 3.1Å; S387-W438 PolarHBondContact OG-N 3.47Å |
| 388 | W | 98.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.1 | 171.1 | -74.5 | 103.5 | 0 | 0 | 0 | 110.6 | R328 M330 P331 A338 V348 E390 L396 V410 | R328-W388 PolarHBondContact O-NE1 2.75Å; M330-W388 HydrophobicContact CB-CD2 3.98Å; M330-W388 HydrophobicContact CB-CE3 4.26Å; M330-W388 HydrophobicContact CB-CG 4.42Å; M330-W388 HydrophobicContact CB-CZ2 4.25Å; M330-W388 HydrophobicContact CE-CE3 3.98Å; M330-W388 HydrophobicContact CE-CH2 3.47Å; M330-W388 VanDerWaalsContact CE-CH2 3.47Å; M330-W388 HydrophobicContact CE-CZ2 4.17Å; M330-W388 HydrophobicContact CE-CZ3 3.37Å; M330-W388 HydrophobicContact CG-CD2 4.3Å; M330-W388 HydrophobicContact CG-CE3 4.14Å; M330-W388 HydrophobicContact CG-CZ3 4.46Å; P331-W388 HydrophobicContact CG-CB 4.31Å; A338-W388 HydrophobicContact CB-CZ2 3.52Å; V348-W388 HydrophobicContact CG1-CH2 4.07Å; V348-W388 HydrophobicContact CG1-CZ2 4.19Å; V348-W388 HydrophobicContact CG2-CH2 4.23Å; V348-W388 HydrophobicContact CG2-CZ2 4.29Å; W388-E390 PolarHBondContact O-N 2.88Å; W388-L396 HydrophobicContact CD2-CB 4.37Å; W388-L396 HydrophobicContact CD2-CD1 3.65Å; W388-L396 HydrophobicContact CE3-CB 3.83Å; W388-L396 HydrophobicContact CE3-CD1 4.01Å; W388-L396 HydrophobicContact CE3-CG 4.43Å; W388-L396 HydrophobicContact CG-CD1 3.89Å; W388-L396 HydrophobicContact CH2-CB 4.23Å; W388-L396 HydrophobicContact CH2-CD2 4.18Å; W388-L396 HydrophobicContact CZ2-CD1 4.31Å; W388-L396 HydrophobicContact CZ2-CD2 4.24Å; W388-L396 HydrophobicContact CZ3-CB 3.72Å; W388-L396 HydrophobicContact CZ3-CD1 4.42Å; W388-L396 HydrophobicContact CZ3-CD2 4.49Å; W388-L396 HydrophobicContact CZ3-CG 4.44Å; W388-V410 HydrophobicContact CH2-CG1 4.22Å; W388-V410 HydrophobicContact CH2-CG2 4.04Å; W388-V410 HydrophobicContact CZ3-CG1 4.43Å; W388-V410 HydrophobicContact CZ3-CG2 4.1Å |
| 389 | N | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | trans | -71.1 | 127.8 | 172.6 | -166.6 | -63 | 0 | 0 | 0 | 110.5 | Q332 R391 R392 Y395 W438 P443 | Q332-N389 PolarHBondContact NE2-O 3.48Å; N389-R391 VanDerWaalsContact C-N 3.33Å; N389-R391 PolarHBondContact O-N 3.12Å; N389-R391 PolarHBondContact OD1-N 3.29Å; N389-R392 HydrophobicContact CB-CB 4.27Å; N389-R392 PolarHBondContact OD1-N 2.71Å; N389-Y395 PolarHBondContact N-O 2.75Å; N389-W438 HydrophobicContact CB-CD2 4.07Å; N389-W438 HydrophobicContact CB-CG 4.21Å; N389-W438 HydrophobicContact CB-CZ2 4.33Å; N389-W438 VanDerWaalsContact ND2-CE3 3.27Å; N389-W438 WeakPolarHBondContact ND2-CZ3 3.33Å; N389-P443 PolarHBondContact ND2-O 2.87Å | ||
| 390 | E | 93.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 33% | 0.327 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -70.7 | -23.7 | -176 | -71.9 | -75.8 | 176.8 | 0 | 0 | 113.3 | P331 Q332 W388 K586 | P331-E390 VanDerWaalsContact CB-OE2 3.29Å; P331-E390 WeakPolarHBondContact CB-OE2 3.15Å; P331-E390 HydrophobicContact CG-CG 4.46Å; P331-E390 VanDerWaalsContact CG-OE2 3.3Å; P331-E390 WeakPolarHBondContact CG-OE2 3.44Å; Q332-E390 PolarHBondContact NE2-O 3.48Å; W388-E390 PolarHBondContact O-N 2.88Å; E390-K586 IonicContact OE1-NZ 2.74Å; E390-K586 PolarHBondContact OE1-NZ 3.06Å; E390-K586 IonicContact OE2-NZ 2.81Å |
| 391 | R | 94.5 | Very high | 94.8 | Very high | 137 Ų | 137 | 34 Ų | 34 | 52% | 0.517 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -114.7 | -38.7 | -178.5 | -57.8 | -175.6 | 177.8 | -164 | -6 | 114.3 | N389 T393 S440 M441 P443 | N389-R391 VanDerWaalsContact C-N 3.33Å; N389-R391 PolarHBondContact O-N 3.12Å; N389-R391 PolarHBondContact OD1-N 3.29Å; R391-T393 PolarHBondContact O-N 3.4Å; R391-S440 PolarHBondContact NE-O 2.99Å; R391-M441 PolarHBondContact NH1-O 3.39Å; R391-M441 PolarHBondContact NH2-SD 3.12Å; R391-P443 HydrophobicContact CB-CB 4.04Å; R391-P443 HydrophobicContact CB-CG 4.44Å |
| 392 | R | 95.2 | Very high | 94.8 | Very high | 90 Ų | 90 | 34.1 Ų | 34.1 | 34% | 0.34 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -87.2 | 109.5 | 178.5 | -72 | 179.6 | 174.1 | -161.5 | -0.3 | 110 | N389 G394 Y395 P443 | N389-R392 HydrophobicContact CB-CB 4.27Å; N389-R392 PolarHBondContact OD1-N 2.71Å; R392-G394 PolarHBondContact O-N 3.45Å; R392-Y395 HydrophobicContact CB-CD2 3.9Å; R392-Y395 HydrophobicContact CB-CE2 4.48Å; R392-Y395 HydrophobicContact CB-CG 4.04Å; R392-Y395 PolarHBondContact O-N 2.83Å; R392-P443 HydrophobicContact CG-CB 4.05Å |
| 393 | T | 95.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 32.3 Ų | 32.3 | 36% | 0.356 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 133 | -179.3 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | M330 Q332 R391 Y395 N411 | M330-T393 HydrophobicContact SD-CG2 3.84Å; Q332-T393 HydrophobicContact CB-CG2 4.23Å; Q332-T393 WeakPolarHBondContact CG-OG1 3.43Å; R391-T393 PolarHBondContact O-N 3.4Å; T393-Y395 VanDerWaalsContact C-N 3.33Å; T393-Y395 PolarHBondContact O-N 2.97Å; T393-N411 PolarHBondContact O-ND2 2.85Å |
| 394 | G | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -3.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R392 D409 V410 | R392-G394 PolarHBondContact O-N 3.45Å; G394-D409 WeakPolarHBondContact O-CA 3.37Å; G394-V410 WeakPolarHBondContact O-CG2 3.04Å; G394-V410 PolarHBondContact O-N 2.92Å |
| 395 | Y | 97.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 15% | 0.153 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123 | 177.3 | -80.2 | -117.8 | 0 | 0 | 0 | 110.1 | N389 R392 T393 L407 W408 D409 I423 I460 | N389-Y395 PolarHBondContact N-O 2.75Å; R392-Y395 HydrophobicContact CB-CD2 3.9Å; R392-Y395 HydrophobicContact CB-CE2 4.48Å; R392-Y395 HydrophobicContact CB-CG 4.04Å; R392-Y395 PolarHBondContact O-N 2.83Å; T393-Y395 VanDerWaalsContact C-N 3.33Å; T393-Y395 PolarHBondContact O-N 2.97Å; Y395-L407 HydrophobicContact CD1-CD1 4.11Å; Y395-W408 WeakPolarHBondContact CA-O 3.32Å; Y395-D409 HydrophobicContact CD2-CB 4.45Å; Y395-D409 HydrophobicContact CE2-CB 4.14Å; Y395-I423 HydrophobicContact CE1-CD1 4.29Å; Y395-I460 HydrophobicContact CE1-CD1 4.37Å |
| 396 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.2 | -177.1 | -179.1 | 65.9 | 0 | 0 | 0 | 110.3 | A338 V346 V348 L376 L386 W388 L407 W408 | A338-L396 HydrophobicContact CB-CD1 4.09Å; A338-L396 HydrophobicContact CB-CD2 3.65Å; V346-L396 HydrophobicContact CG1-CD2 4.09Å; V348-L396 HydrophobicContact CG2-CD2 4.18Å; L376-L396 HydrophobicContact CD1-CD2 3.53Å; L386-L396 HydrophobicContact CD1-CD1 3.83Å; L386-L396 HydrophobicContact CD1-CD2 4.11Å; L386-L396 HydrophobicContact CD1-CG 4.17Å; L386-L396 HydrophobicContact CG-CD1 4.2Å; W388-L396 HydrophobicContact CD2-CB 4.37Å; W388-L396 HydrophobicContact CD2-CD1 3.65Å; W388-L396 HydrophobicContact CE3-CB 3.83Å; W388-L396 HydrophobicContact CE3-CD1 4.01Å; W388-L396 HydrophobicContact CE3-CG 4.43Å; W388-L396 HydrophobicContact CG-CD1 3.89Å; W388-L396 HydrophobicContact CH2-CB 4.23Å; W388-L396 HydrophobicContact CH2-CD2 4.18Å; W388-L396 HydrophobicContact CZ2-CD1 4.31Å; W388-L396 HydrophobicContact CZ2-CD2 4.24Å; W388-L396 HydrophobicContact CZ3-CB 3.72Å; W388-L396 HydrophobicContact CZ3-CD1 4.42Å; W388-L396 HydrophobicContact CZ3-CD2 4.49Å; W388-L396 HydrophobicContact CZ3-CG 4.44Å; L396-L407 WeakPolarHBondContact O-CA 3.11Å; L396-W408 PolarHBondContact N-O 2.86Å; L396-W408 PolarHBondContact O-N 3.3Å |
| 397 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.8 | 168.4 | -70.7 | 169.4 | 0 | 0 | 0 | 110.4 | L386 S387 V405 C406 L407 V436 W438 F446 | L386-L397 WeakPolarHBondContact CA-O 3.48Å; S387-L397 PolarHBondContact N-O 3.41Å; S387-L397 PolarHBondContact O-N 2.9Å; L397-V405 HydrophobicContact CD2-CG1 4.26Å; L397-C406 WeakPolarHBondContact CA-O 3.46Å; L397-L407 HydrophobicContact CD2-CB 3.99Å; L397-L407 HydrophobicContact CD2-CD1 3.93Å; L397-L407 HydrophobicContact CG-CD1 4.44Å; L397-V436 HydrophobicContact CB-CG2 3.95Å; L397-W438 HydrophobicContact CD1-CD2 3.6Å; L397-W438 HydrophobicContact CD1-CE3 4.22Å; L397-W438 HydrophobicContact CD1-CG 3.95Å; L397-W438 HydrophobicContact CD1-CH2 4.18Å; L397-W438 HydrophobicContact CD1-CZ2 3.6Å; L397-W438 HydrophobicContact CD1-CZ3 4.47Å; L397-W438 VanDerWaalsContact CD1-NE1 3.34Å; L397-W438 HydrophobicContact CD2-CZ2 4.03Å; L397-W438 HydrophobicContact CG-CD2 4.31Å; L397-W438 VanDerWaalsContact CG-CE2 3.43Å; L397-W438 HydrophobicContact CG-CH2 4.34Å; L397-W438 HydrophobicContact CG-CZ2 3.48Å; L397-W438 VanDerWaalsContact CG-CZ2 3.48Å; L397-F446 HydrophobicContact CD1-CB 3.4Å; L397-F446 VanDerWaalsContact CD1-CB 3.4Å; L397-F446 HydrophobicContact CD1-CD1 3.93Å; L397-F446 HydrophobicContact CD1-CD2 3.67Å; L397-F446 HydrophobicContact CD1-CE2 4.38Å; L397-F446 HydrophobicContact CD1-CG 3.39Å; L397-F446 HydrophobicContact CD2-CD1 4.39Å; L397-F446 HydrophobicContact CD2-CD2 4.41Å; L397-F446 HydrophobicContact CD2-CE1 4.31Å; L397-F446 HydrophobicContact CD2-CE2 4.32Å; L397-F446 HydrophobicContact CD2-CG 4.43Å; L397-F446 HydrophobicContact CD2-CZ 4.26Å |
| 398 | S | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.5 | 158 | 60 | 0 | 0 | 0 | 0 | 112.3 | H379 G385 V405 C406 W408 | H379-S398 PolarHBondContact CD2-OG 2.05Å; H379-S398 PolarHBondContact NE2-O 2.98Å; H379-S398 PolarHBondContact NE2-OG 3.26Å; G385-S398 WeakPolarHBondContact O-CA 3.4Å; G385-S398 WeakPolarHBondContact O-CB 3.39Å; S398-V405 WeakPolarHBondContact O-CA 2.96Å; S398-C406 PolarHBondContact N-O 3.14Å; S398-C406 VanDerWaalsContact N-O 3.08Å; S398-C406 PolarHBondContact O-N 3.11Å; S398-W408 WeakPolarHBondContact OG-CH2 3.35Å; S398-W408 WeakPolarHBondContact OG-CZ3 3.28Å |
| 399 | G | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 154.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | K340 G385 | K340-G399 WeakPolarHBondContact CE-O 3.24Å; G385-G399 PolarHBondContact O-N 2.91Å |
| 400 | S | 93.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -146.7 | 158.4 | -171.7 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | H379 S381 E382 D402 G403 V404 V433 | H379-S400 VanDerWaalsContact CE1-CB 3.48Å; H379-S400 WeakPolarHBondContact CE1-CB 3.46Å; H379-S400 WeakPolarHBondContact ND1-CB 3.48Å; S381-S400 PolarHBondContact O-OG 3.12Å; E382-S400 PolarHBondContact O-OG 3.48Å; S400-D402 WeakPolarHBondContact CB-OD1 3.35Å; S400-D402 PolarHBondContact O-N 2.95Å; S400-D402 VanDerWaalsContact O-N 3.16Å; S400-D402 PolarHBondContact OG-N 3Å; S400-D402 PolarHBondContact OG-OD1 2.8Å; S400-D402 VanDerWaalsContact OG-OD1 3.09Å; S400-D402 PolarHBondContact OG-OD2 3.32Å; S400-G403 PolarHBondContact O-N 3.09Å; S400-V404 PolarHBondContact N-O 2.9Å; S400-V433 PolarHBondContact O-N 3.36Å | ||
| 401 | R | 90.8 | Very high | 94.9 | Very high | 133 Ų | 133 | 30.4 Ų | 30.4 | 50% | 0.502 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -13.1 | 176.3 | -73.6 | -172.1 | 168.9 | -163 | -5.9 | 113.8 | E382 G403 P432 | E382-R401 HydrophobicContact CG-CG 4.47Å; E382-R401 PolarHBondContact O-N 3.27Å; E382-R401 IonicContact OE1-CZ 3.39Å; E382-R401 IonicContact OE1-NE 2.95Å; E382-R401 IonicContact OE1-NH1 3.59Å; E382-R401 PolarHBondContact OE1-NH1 3.12Å; R401-G403 PolarHBondContact O-N 2.96Å; R401-P432 HydrophobicContact CB-CB 4.46Å; R401-P432 HydrophobicContact CG-CB 4.46Å |
| 402 | D | 89.9 | Confident | 94.3 | Very high | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -1.7 | 171.5 | 55 | 29.6 | 0 | 0 | 0 | 113.6 | H379 F380 S381 S400 V404 | H379-D402 VanDerWaalsContact CA-OD2 3.3Å; H379-D402 WeakPolarHBondContact CA-OD2 3.23Å; H379-D402 VanDerWaalsContact CB-OD2 3.23Å; H379-D402 WeakPolarHBondContact CB-OD2 3.49Å; H379-D402 IonicContact CG-OD2 2.86Å; H379-D402 IonicContact ND1-OD1 2.74Å; H379-D402 PolarHBondContact ND1-OD1 3.36Å; H379-D402 IonicContact ND1-OD2 2.77Å; H379-D402 PolarHBondContact ND1-OD2 3.5Å; F380-D402 HydrophobicContact CB-CB 4.4Å; F380-D402 PolarHBondContact N-OD2 3.16Å; S381-D402 PolarHBondContact N-OD2 3.15Å; S381-D402 VanDerWaalsContact N-OD2 3.09Å; S400-D402 WeakPolarHBondContact CB-OD1 3.35Å; S400-D402 PolarHBondContact O-N 2.95Å; S400-D402 VanDerWaalsContact O-N 3.16Å; S400-D402 PolarHBondContact OG-N 3Å; S400-D402 PolarHBondContact OG-OD1 2.8Å; S400-D402 VanDerWaalsContact OG-OD1 3.09Å; S400-D402 PolarHBondContact OG-OD2 3.32Å; D402-V404 VanDerWaalsContact C-N 3.28Å; D402-V404 HydrophobicContact CB-CG2 4.42Å; D402-V404 PolarHBondContact O-N 3.19Å; D402-V404 VanDerWaalsContact OD1-CB 3.24Å; D402-V404 WeakPolarHBondContact OD1-CB 3.16Å; D402-V404 WeakPolarHBondContact OD1-CG2 3.48Å; D402-V404 PolarHBondContact OD1-N 2.79Å |
| 403 | G | 91.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 79.2 | 8.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S400 R401 E428 A431 | S400-G403 PolarHBondContact O-N 3.09Å; R401-G403 PolarHBondContact O-N 2.96Å; G403-E428 WeakPolarHBondContact O-CB 3.47Å; G403-E428 PolarHBondContact O-N 3.18Å; G403-A431 WeakPolarHBondContact CA-O 3.23Å |
| 404 | V | 94.5 | Very high | 91.8 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.2 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | H379 S400 D402 E425 W426 I427 | H379-V404 PolarHBondContact CE1-O 3.38Å; S400-V404 PolarHBondContact N-O 2.9Å; D402-V404 VanDerWaalsContact C-N 3.28Å; D402-V404 HydrophobicContact CB-CG2 4.42Å; D402-V404 PolarHBondContact O-N 3.19Å; D402-V404 VanDerWaalsContact OD1-CB 3.24Å; D402-V404 WeakPolarHBondContact OD1-CB 3.16Å; D402-V404 WeakPolarHBondContact OD1-CG2 3.48Å; D402-V404 PolarHBondContact OD1-N 2.79Å; V404-E425 HydrophobicContact CG1-CB 4.25Å; V404-E425 HydrophobicContact CG1-CG 4.45Å; V404-W426 CarbonylContact C-O 3.58Å; V404-W426 WeakPolarHBondContact CA-O 3.19Å; V404-I427 HydrophobicContact CG2-CG1 4.37Å |
| 405 | V | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124 | 161.5 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | L397 S398 E425 W426 V433 V436 F446 Y448 | L397-V405 HydrophobicContact CD2-CG1 4.26Å; S398-V405 WeakPolarHBondContact O-CA 2.96Å; V405-E425 WeakPolarHBondContact O-CA 3.49Å; V405-W426 HydrophobicContact CB-CB 4.28Å; V405-W426 HydrophobicContact CB-CE3 4.37Å; V405-W426 HydrophobicContact CG1-CE3 4.3Å; V405-W426 PolarHBondContact N-O 2.92Å; V405-W426 PolarHBondContact O-N 3.41Å; V405-V433 HydrophobicContact CG2-CG1 4.04Å; V405-V433 HydrophobicContact CG2-CG2 3.96Å; V405-V436 HydrophobicContact CG1-CG1 4.31Å; V405-V436 HydrophobicContact CG2-CG1 4.47Å; V405-F446 HydrophobicContact CG1-CE2 3.93Å; V405-F446 HydrophobicContact CG1-CZ 4.46Å; V405-Y448 HydrophobicContact CG2-CD1 3.95Å; V405-Y448 HydrophobicContact CG2-CD2 3.86Å; V405-Y448 HydrophobicContact CG2-CE1 4.15Å; V405-Y448 HydrophobicContact CG2-CE2 4.09Å; V405-Y448 HydrophobicContact CG2-CG 3.77Å |
| 406 | C | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.9 | -178.6 | -75.5 | 0 | 0 | 0 | 0 | 111.3 | H379 L397 S398 W408 T422 | H379-C406 PolarHBondContact CE1-SG 3.06Å; L397-C406 WeakPolarHBondContact CA-O 3.46Å; S398-C406 PolarHBondContact N-O 3.14Å; S398-C406 VanDerWaalsContact N-O 3.08Å; S398-C406 PolarHBondContact O-N 3.11Å; C406-W408 HydrophobicContact CB-CD2 4.39Å; C406-W408 HydrophobicContact CB-CE3 4.09Å; C406-W408 HydrophobicContact CB-CH2 3.02Å; C406-W408 HydrophobicContact CB-CZ2 3.35Å; C406-W408 HydrophobicContact CB-CZ3 3.4Å; C406-W408 VanDerWaalsContact CB-CZ3 3.4Å; C406-W408 WeakPolarHBondContact O-CZ3 3.16Å; C406-T422 HydrophobicContact CB-CG2 3.76Å |
| 407 | L | 96.7 | Very high | 86.9 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.6 | 171.7 | 172.6 | 65.4 | 0 | 0 | 0 | 110.8 | Y395 L396 L397 T422 I423 S424 W426 W438 I460 | Y395-L407 HydrophobicContact CD1-CD1 4.11Å; L396-L407 WeakPolarHBondContact O-CA 3.11Å; L397-L407 HydrophobicContact CD2-CB 3.99Å; L397-L407 HydrophobicContact CD2-CD1 3.93Å; L397-L407 HydrophobicContact CG-CD1 4.44Å; L407-T422 CarbonylContact O-C 3.52Å; L407-T422 WeakPolarHBondContact O-CA 3.43Å; L407-I423 HydrophobicContact CD2-CB 4.41Å; L407-I423 HydrophobicContact CG-CB 4.35Å; L407-I423 HydrophobicContact CG-CD1 4.33Å; L407-I423 PolarHBondContact O-N 2.94Å; L407-S424 PolarHBondContact N-O 3.41Å; L407-W426 HydrophobicContact CB-CH2 4.13Å; L407-W426 HydrophobicContact CB-CZ3 3.72Å; L407-W426 HydrophobicContact CD2-CH2 4.06Å; L407-W438 HydrophobicContact CD1-CH2 4.05Å; L407-W438 HydrophobicContact CD1-CZ2 3.66Å; L407-I460 HydrophobicContact CD2-CB 4.37Å; L407-I460 HydrophobicContact CD2-CG2 3.78Å |
| 408 | W | 96.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152.3 | 171.6 | -58.6 | -93.9 | 0 | 0 | 0 | 112.4 | V346 L376 K377 H379 Y395 L396 S398 C406 V410 S421 T422 | V346-W408 HydrophobicContact CG2-CH2 4.29Å; L376-W408 HydrophobicContact CB-CD2 3.97Å; L376-W408 HydrophobicContact CB-CG 4.13Å; L376-W408 HydrophobicContact CB-CZ2 4.01Å; L376-W408 HydrophobicContact CD1-CB 4.18Å; L376-W408 HydrophobicContact CD1-CD2 3.87Å; L376-W408 HydrophobicContact CD1-CE3 4.06Å; L376-W408 HydrophobicContact CD1-CG 3.94Å; L376-W408 HydrophobicContact CD2-CG 4.48Å; L376-W408 HydrophobicContact CG-CG 4.42Å; K377-W408 PolarHBondContact O-NE1 2.65Å; H379-W408 AromaticContact CD2-CH2 3.79Å; H379-W408 AromaticContact NE2-CH2 3.71Å; Y395-W408 WeakPolarHBondContact CA-O 3.32Å; L396-W408 PolarHBondContact N-O 2.86Å; L396-W408 PolarHBondContact O-N 3.3Å; S398-W408 WeakPolarHBondContact OG-CH2 3.35Å; S398-W408 WeakPolarHBondContact OG-CZ3 3.28Å; C406-W408 HydrophobicContact CB-CD2 4.39Å; C406-W408 HydrophobicContact CB-CE3 4.09Å; C406-W408 HydrophobicContact CB-CH2 3.02Å; C406-W408 HydrophobicContact CB-CZ2 3.35Å; C406-W408 HydrophobicContact CB-CZ3 3.4Å; C406-W408 VanDerWaalsContact CB-CZ3 3.4Å; C406-W408 WeakPolarHBondContact O-CZ3 3.16Å; W408-V410 HydrophobicContact CB-CG1 4.49Å; W408-S421 VanDerWaalsContact CD1-C 3.46Å; W408-S421 VanDerWaalsContact CD1-O 3.25Å; W408-T422 HydrophobicContact CD2-CG2 4.38Å; W408-T422 HydrophobicContact CZ2-CG2 3.89Å |
| 409 | D | 95 | Very high | 85.8 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 98.6 | 163.3 | 174.3 | -0.6 | 0 | 0 | 0 | 107.5 | G394 Y395 N411 R412 I423 | G394-D409 WeakPolarHBondContact O-CA 3.37Å; Y395-D409 HydrophobicContact CD2-CB 4.45Å; Y395-D409 HydrophobicContact CE2-CB 4.14Å; D409-N411 PolarHBondContact O-N 3.32Å; D409-N411 VanDerWaalsContact O-N 3.16Å; D409-N411 WeakPolarHBondContact OD1-CB 3.18Å; D409-N411 PolarHBondContact OD1-N 3.21Å; D409-R412 HydrophobicContact CB-CG 4.2Å; D409-R412 PolarHBondContact O-N 2.87Å; D409-R412 VanDerWaalsContact O-N 3.15Å; D409-R412 WeakPolarHBondContact OD2-CD 3.24Å; D409-R412 VanDerWaalsContact OD2-CG 3.28Å; D409-R412 WeakPolarHBondContact OD2-CG 3.38Å; D409-R412 IonicContact OD2-CZ 3.77Å; D409-R412 IonicContact OD2-NE 2.78Å; D409-R412 PolarHBondContact OD2-NE 3.25Å; D409-I423 HydrophobicContact CB-CD1 3.28Å; D409-I423 HydrophobicContact CB-CG1 4.17Å |
| 410 | V | 93.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -8.4 | -174.8 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | M330 V348 L374 L376 W388 G394 W408 T413 | M330-V410 HydrophobicContact CE-CG2 3.94Å; V348-V410 HydrophobicContact CG2-CG1 4.31Å; L374-V410 HydrophobicContact CD1-CB 4.09Å; L376-V410 HydrophobicContact CD1-CG1 4.13Å; L376-V410 HydrophobicContact CD2-CG1 3.96Å; W388-V410 HydrophobicContact CH2-CG1 4.22Å; W388-V410 HydrophobicContact CH2-CG2 4.04Å; W388-V410 HydrophobicContact CZ3-CG1 4.43Å; W388-V410 HydrophobicContact CZ3-CG2 4.1Å; G394-V410 WeakPolarHBondContact O-CG2 3.04Å; G394-V410 PolarHBondContact O-N 2.92Å; W408-V410 HydrophobicContact CB-CG1 4.49Å; V410-T413 PolarHBondContact O-OG1 3.45Å |
| 411 | N | 89.5 | Confident | 85.3 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -19.9 | 174.4 | -61.4 | -48.8 | 0 | 0 | 0 | 112.5 | T393 D409 T413 | T393-N411 PolarHBondContact O-ND2 2.85Å; D409-N411 PolarHBondContact O-N 3.32Å; D409-N411 VanDerWaalsContact O-N 3.16Å; D409-N411 WeakPolarHBondContact OD1-CB 3.18Å; D409-N411 PolarHBondContact OD1-N 3.21Å; N411-T413 VanDerWaalsContact C-N 3.28Å |
| 412 | R | 83 | Confident | 85.3 | Confident | 171 Ų | 171 | 61.3 Ų | 61.3 | 65% | 0.645 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -74.2 | -19.2 | 176.7 | -74.8 | 176.3 | -168.6 | -147.6 | -2.8 | 113.1 | D409 A414 | D409-R412 HydrophobicContact CB-CG 4.2Å; D409-R412 PolarHBondContact O-N 2.87Å; D409-R412 VanDerWaalsContact O-N 3.15Å; D409-R412 WeakPolarHBondContact OD2-CD 3.24Å; D409-R412 VanDerWaalsContact OD2-CG 3.28Å; D409-R412 WeakPolarHBondContact OD2-CG 3.38Å; D409-R412 IonicContact OD2-CZ 3.77Å; D409-R412 IonicContact OD2-NE 2.78Å; D409-R412 PolarHBondContact OD2-NE 3.25Å; R412-A414 PolarHBondContact O-N 3.03Å |
| 413 | T | 76.1 | Confident | 85.3 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -69.3 | 118.5 | -177.1 | -30.7 | 0 | 0 | 0 | 0 | 109.9 | L374 V410 N411 R415 N417 V419 C420 | L374-T413 HydrophobicContact CD2-CG2 4.12Å; V410-T413 PolarHBondContact O-OG1 3.45Å; N411-T413 VanDerWaalsContact C-N 3.28Å; T413-R415 PolarHBondContact O-N 3.1Å; T413-N417 HydrophobicContact CG2-CB 4.16Å; T413-N417 WeakPolarHBondContact CG2-O 3.12Å; T413-V419 WeakPolarHBondContact CG2-O 3.05Å; T413-C420 HydrophobicContact CG2-CB 4.03Å; T413-C420 WeakPolarHBondContact OG1-CB 3.29Å; T413-C420 PolarHBondContact OG1-SG 3.22Å |
| 414 | A | 61.8 | Low | 85.3 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | trans | -57 | 139.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | R412 R416 N417 | R412-A414 PolarHBondContact O-N 3.03Å; A414-R416 PolarHBondContact O-N 2.95Å; A414-N417 PolarHBondContact O-N 2.82Å | ||
| 415 | R | 62.4 | Low | 85.2 | Confident | 255 Ų | 255 | 68.3 Ų | 68.3 | 96% | 0.962 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -19.1 | -177.4 | -74.2 | -173.9 | 178 | 177.4 | 0.7 | 115.3 | T413 | T413-R415 PolarHBondContact O-N 3.1Š|
| 416 | R | 60.3 | Low | 85 | Confident | 242 Ų | 242 | 70.3 Ų | 70.3 | 91% | 0.913 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -20.8 | 177.4 | -73.9 | -175 | 175 | 169.1 | -1 | 114.1 | A414 | A414-R416 PolarHBondContact O-N 2.95Š|
| 417 | N | 65.7 | Low | 84.5 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | trans | -93.6 | 114.1 | 180 | -74 | 2 | 0 | 0 | 0 | 109.2 | T413 A414 V419 | T413-N417 HydrophobicContact CG2-CB 4.16Å; T413-N417 WeakPolarHBondContact CG2-O 3.12Å; A414-N417 PolarHBondContact O-N 2.82Å; N417-V419 PolarHBondContact O-N 3.07Å | ||
| 418 | S | 83.7 | Confident | 83.7 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -77.5 | 2.8 | 171.1 | 57 | 0 | 0 | 0 | 0 | 112.9 | L374 K375 | L374-S418 CarbonylContact C-O 3.53Å; L374-S418 WeakPolarHBondContact CA-O 3.33Å; K375-S418 PolarHBondContact N-O 3.16Å |
| 419 | V | 88.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 85 Ų | 85 | 38% | 0.376 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | -177.3 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | K375 K377 T413 N417 | K375-V419 WeakPolarHBondContact O-CA 3.1Å; K377-V419 HydrophobicContact CD-CG1 3.82Å; K377-V419 HydrophobicContact CG-CG1 3.95Å; T413-V419 WeakPolarHBondContact CG2-O 3.05Å; N417-V419 PolarHBondContact O-N 3.07Å |
| 420 | C | 90.3 | Very high | 81.6 | Confident | 10 Ų | 10 | 87.8 Ų | 87.8 | 7% | 0.068 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127 | 173.9 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | K375 L376 K377 T413 | K375-C420 PolarHBondContact O-N 2.87Å; L376-C420 WeakPolarHBondContact CA-O 3.29Å; L376-C420 HydrophobicContact CD2-CB 3.46Å; L376-C420 VanDerWaalsContact CD2-CB 3.46Å; K377-C420 PolarHBondContact N-O 3.18Å; T413-C420 HydrophobicContact CG2-CB 4.03Å; T413-C420 WeakPolarHBondContact OG1-CB 3.29Å; T413-C420 PolarHBondContact OG1-SG 3.22Å |
| 421 | S | 90.1 | Very high | 81.3 | Confident | 90 Ų | 90 | 87.2 Ų | 87.2 | 63% | 0.629 | 45% | 0.452 | S | S | * | . | trans | -81.9 | 159 | 168.7 | 57 | 0 | 0 | 0 | 0 | 110.7 | W408 | W408-S421 VanDerWaalsContact CD1-C 3.46Å; W408-S421 VanDerWaalsContact CD1-O 3.25Å | ||
| 422 | T | 90.7 | Very high | 81.4 | Confident | 32 Ų | 32 | 84.3 Ų | 84.3 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | trans | -59.8 | 150.7 | 172.3 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | K377 C406 L407 W408 E425 | K377-T422 WeakPolarHBondContact O-CG2 3.27Å; C406-T422 HydrophobicContact CB-CG2 3.76Å; L407-T422 CarbonylContact O-C 3.52Å; L407-T422 WeakPolarHBondContact O-CA 3.43Å; W408-T422 HydrophobicContact CD2-CG2 4.38Å; W408-T422 HydrophobicContact CZ2-CG2 3.89Å; T422-E425 WeakPolarHBondContact CB-OE1 3.32Å; T422-E425 HydrophobicContact CG2-CG 3.75Å; T422-E425 VanDerWaalsContact CG2-OE1 3.3Å; T422-E425 WeakPolarHBondContact CG2-OE1 3.28Å; T422-E425 PolarHBondContact OG1-OE1 3.18Å | ||
| 423 | I | 90.5 | Very high | 82.1 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 32% | 0.323 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -81.9 | -41.4 | 163 | -60.8 | 170.4 | 0 | 0 | 0 | 109.5 | Y395 L407 D409 | Y395-I423 HydrophobicContact CE1-CD1 4.29Å; L407-I423 HydrophobicContact CD2-CB 4.41Å; L407-I423 HydrophobicContact CG-CB 4.35Å; L407-I423 HydrophobicContact CG-CD1 4.33Å; L407-I423 PolarHBondContact O-N 2.94Å; D409-I423 HydrophobicContact CB-CD1 3.28Å; D409-I423 HydrophobicContact CB-CG1 4.17Å |
| 424 | S | 91.1 | Very high | 83 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 33% | 0.329 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 148.5 | -175.6 | -56 | 0 | 0 | 0 | 0 | 109.4 | L407 | L407-S424 PolarHBondContact N-O 3.41Å |
| 425 | E | 91 | Very high | 84.7 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131 | 179.6 | -69 | 169.5 | -172.6 | 0 | 0 | 107.5 | V404 V405 T422 | V404-E425 HydrophobicContact CG1-CB 4.25Å; V404-E425 HydrophobicContact CG1-CG 4.45Å; V405-E425 WeakPolarHBondContact O-CA 3.49Å; T422-E425 WeakPolarHBondContact CB-OE1 3.32Å; T422-E425 HydrophobicContact CG2-CG 3.75Å; T422-E425 VanDerWaalsContact CG2-OE1 3.3Å; T422-E425 WeakPolarHBondContact CG2-OE1 3.28Å; T422-E425 PolarHBondContact OG1-OE1 3.18Å |
| 426 | W | 91.8 | Very high | 86.3 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 16% | 0.163 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.3 | 170 | -61.9 | -105.2 | 0 | 0 | 0 | 107 | V404 V405 L407 F446 E458 I460 | V404-W426 CarbonylContact C-O 3.58Å; V404-W426 WeakPolarHBondContact CA-O 3.19Å; V405-W426 HydrophobicContact CB-CB 4.28Å; V405-W426 HydrophobicContact CB-CE3 4.37Å; V405-W426 HydrophobicContact CG1-CE3 4.3Å; V405-W426 PolarHBondContact N-O 2.92Å; V405-W426 PolarHBondContact O-N 3.41Å; L407-W426 HydrophobicContact CB-CH2 4.13Å; L407-W426 HydrophobicContact CB-CZ3 3.72Å; L407-W426 HydrophobicContact CD2-CH2 4.06Å; W426-F446 AromaticContact CD2-CZ 3.95Å; W426-F446 HydrophobicContact CD2-CZ 3.95Å; W426-F446 AromaticContact CE2-CZ 3.88Å; W426-F446 AromaticContact CE3-CZ 3.86Å; W426-F446 HydrophobicContact CE3-CZ 3.86Å; W426-F446 AromaticContact CH2-CE1 3.76Å; W426-F446 HydrophobicContact CH2-CE1 3.76Å; W426-F446 AromaticContact CH2-CZ 3.74Å; W426-F446 HydrophobicContact CH2-CZ 3.74Å; W426-F446 AromaticContact CZ2-CE1 3.85Å; W426-F446 HydrophobicContact CZ2-CE1 3.85Å; W426-F446 AromaticContact CZ2-CZ 3.79Å; W426-F446 HydrophobicContact CZ2-CZ 3.79Å; W426-F446 HydrophobicContact CZ3-CE1 4.18Å; W426-F446 AromaticContact CZ3-CZ 3.76Å; W426-F446 HydrophobicContact CZ3-CZ 3.76Å; W426-E458 VanDerWaalsContact NE1-CD 3.28Å; W426-E458 PolarHBondContact NE1-OE2 3.44Å; W426-I460 HydrophobicContact CH2-CG2 4.07Å; W426-I460 HydrophobicContact CZ2-CG2 4.38Å |
| 427 | I | 86.5 | Confident | 88.1 | Confident | 117 Ų | 117 | 51.7 Ų | 51.7 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.4 | -174.9 | -57.2 | 175.2 | 0 | 0 | 0 | 108 | V404 | V404-I427 HydrophobicContact CG2-CG1 4.37Å |
| 428 | E | 79.3 | Confident | 89.6 | Confident | 28 Ų | 28 | 47 Ų | 47 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | trans | -98 | 118.2 | 170.3 | -164.2 | 156.7 | -142.8 | 0 | 0 | 109.2 | G403 G430 A431 N450 | G403-E428 WeakPolarHBondContact O-CB 3.47Å; G403-E428 PolarHBondContact O-N 3.18Å; E428-G430 PolarHBondContact O-N 3.41Å; E428-A431 HydrophobicContact CG-CB 4.12Å; E428-N450 PolarHBondContact OE1-ND2 3.43Å; E428-N450 VanDerWaalsContact OE2-CB 3.32Å; E428-N450 WeakPolarHBondContact OE2-CB 3.3Å; E428-N450 PolarHBondContact OE2-ND2 2.91Å; E428-N450 VanDerWaalsContact OE2-ND2 3.09Å | ||
| 429 | I | 72.6 | Confident | 90.2 | Very high | 166 Ų | 166 | 44.6 Ų | 44.6 | 85% | 0.851 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -79.5 | 115.5 | -173.2 | -58.8 | 174.1 | 0 | 0 | 0 | 108.7 | ||
| 430 | G | 76.3 | Confident | 90.3 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 76% | 0.763 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 89 | -6.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E428 | E428-G430 PolarHBondContact O-N 3.41Š|
| 431 | A | 87.1 | Confident | 90.3 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | trans | -120.5 | 121.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | G403 E428 N450 E452 | G403-A431 WeakPolarHBondContact CA-O 3.23Å; E428-A431 HydrophobicContact CG-CB 4.12Å; A431-N450 HydrophobicContact CB-CB 4.13Å; A431-E452 HydrophobicContact CB-CB 4.32Å; A431-E452 HydrophobicContact CB-CG 3.49Å; A431-E452 VanDerWaalsContact CB-CG 3.49Å | ||
| 432 | P | 91.4 | Very high | 90.5 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | trans | -53.6 | 134.9 | 167.4 | -32.2 | 38.8 | 0 | 0 | 0 | 113 | R401 N450 D451 | R401-P432 HydrophobicContact CB-CB 4.46Å; R401-P432 HydrophobicContact CG-CB 4.46Å; P432-N450 WeakPolarHBondContact O-CA 3.44Å; P432-N450 VanDerWaalsContact O-CB 3.23Å; P432-N450 WeakPolarHBondContact O-CB 3.38Å; P432-D451 HydrophobicContact CB-CB 4.5Å; P432-D451 WeakPolarHBondContact CB-OD2 3.48Å; P432-D451 HydrophobicContact CG-CB 4.5Å; P432-D451 VanDerWaalsContact CG-OD2 3.32Å; P432-D451 WeakPolarHBondContact CG-OD2 3.41Å; P432-D451 PolarHBondContact O-N 3.01Å; P432-D451 VanDerWaalsContact O-N 3.14Å | ||
| 433 | V | 96.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.4 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | S400 V405 V436 Y448 | S400-V433 PolarHBondContact O-N 3.36Å; V405-V433 HydrophobicContact CG2-CG1 4.04Å; V405-V433 HydrophobicContact CG2-CG2 3.96Å; V433-V436 HydrophobicContact CG1-CG1 3.97Å; V433-Y448 HydrophobicContact CG1-CD2 4.12Å; V433-Y448 HydrophobicContact CG2-CD2 4.25Å; V433-Y448 HydrophobicContact CG2-CE2 4.48Å |
| 434 | N | 94.9 | Very high | 90.7 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -48 | -173.3 | -72 | -34.9 | 0 | 0 | 0 | 112.7 | G385 V449 N450 D451 V479 | G385-N434 PolarHBondContact N-O 3.08Å; N434-V449 HydrophobicContact CB-CG2 4.44Å; N434-V449 PolarHBondContact N-O 2.72Å; N434-N450 VanDerWaalsContact ND2-C 3.3Å; N434-N450 PolarHBondContact ND2-O 3.01Å; N434-D451 PolarHBondContact ND2-N 3.12Å; N434-D451 PolarHBondContact ND2-OD1 3.14Å; N434-D451 PolarHBondContact OD1-OD1 3.36Å; N434-V479 WeakPolarHBondContact CB-O 3.41Å; N434-V479 PolarHBondContact ND2-O 2.04Å |
| 435 | D | 97.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.1 | -179.4 | -162.8 | 16.6 | 0 | 0 | 0 | 112.2 | Y448 V449 V482 | D435-Y448 VanDerWaalsContact O-CA 3.32Å; D435-Y448 WeakPolarHBondContact O-CA 3.32Å; D435-Y448 WeakPolarHBondContact O-CB 3.2Å; D435-V449 HydrophobicContact CB-CG2 4.03Å; D435-V449 PolarHBondContact O-N 3.32Å; D435-V449 VanDerWaalsContact O-N 3.12Å; D435-V482 HydrophobicContact CB-CG1 4.1Å; D435-V482 PolarHBondContact OD2-N 3.48Å |
| 436 | V | 97.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.1 | -179.7 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | S387 L397 V405 V433 A447 | S387-V436 WeakPolarHBondContact CB-O 3.3Å; L397-V436 HydrophobicContact CB-CG2 3.95Å; V405-V436 HydrophobicContact CG1-CG1 4.31Å; V405-V436 HydrophobicContact CG2-CG1 4.47Å; V433-V436 HydrophobicContact CG1-CG1 3.97Å; V436-A447 WeakPolarHBondContact CA-O 3.28Å |
| 437 | C | 97.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 34 Ų | 34 | 14% | 0.142 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 126.8 | 179.1 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | F446 A447 V482 C484 | C437-F446 WeakPolarHBondContact O-CA 3.42Å; C437-F446 WeakPolarHBondContact O-CB 3.47Å; C437-A447 PolarHBondContact N-O 3.14Å; C437-A447 PolarHBondContact O-N 2.7Å; C437-V482 HydrophobicContact CB-CG1 3.99Å; C437-C484 VanDerWaalsContact SG-CB 3.56Å; C437-C484 PolarHBondContact SG-N 2.89Å; C437-C484 VanDerWaalsContact SG-SG 3.68Å |
| 438 | W | 97.9 | Very high | 92 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 144.8 | 166.7 | -77.6 | 102.4 | 0 | 0 | 0 | 111.7 | S387 N389 L397 L407 S440 F446 I460 C484 | S387-W438 PolarHBondContact O-NE1 3.48Å; S387-W438 VanDerWaalsContact O-NE1 3.1Å; S387-W438 PolarHBondContact OG-N 3.47Å; N389-W438 HydrophobicContact CB-CD2 4.07Å; N389-W438 HydrophobicContact CB-CG 4.21Å; N389-W438 HydrophobicContact CB-CZ2 4.33Å; N389-W438 VanDerWaalsContact ND2-CE3 3.27Å; N389-W438 WeakPolarHBondContact ND2-CZ3 3.33Å; L397-W438 HydrophobicContact CD1-CD2 3.6Å; L397-W438 HydrophobicContact CD1-CE3 4.22Å; L397-W438 HydrophobicContact CD1-CG 3.95Å; L397-W438 HydrophobicContact CD1-CH2 4.18Å; L397-W438 HydrophobicContact CD1-CZ2 3.6Å; L397-W438 HydrophobicContact CD1-CZ3 4.47Å; L397-W438 VanDerWaalsContact CD1-NE1 3.34Å; L397-W438 HydrophobicContact CD2-CZ2 4.03Å; L397-W438 HydrophobicContact CG-CD2 4.31Å; L397-W438 VanDerWaalsContact CG-CE2 3.43Å; L397-W438 HydrophobicContact CG-CH2 4.34Å; L397-W438 HydrophobicContact CG-CZ2 3.48Å; L397-W438 VanDerWaalsContact CG-CZ2 3.48Å; L407-W438 HydrophobicContact CD1-CH2 4.05Å; L407-W438 HydrophobicContact CD1-CZ2 3.66Å; W438-S440 PolarHBondContact O-N 3.3Å; W438-F446 HydrophobicContact CD2-CB 4.25Å; W438-F446 HydrophobicContact CE3-CB 3.91Å; W438-F446 HydrophobicContact CH2-CD1 4.31Å; W438-F446 HydrophobicContact CZ3-CB 4.28Å; W438-F446 HydrophobicContact CZ3-CD1 4.06Å; W438-I460 HydrophobicContact CH2-CD1 4.13Å; W438-I460 HydrophobicContact CH2-CG2 3.98Å; W438-I460 HydrophobicContact CZ3-CD1 4.4Å; W438-I460 HydrophobicContact CZ3-CG2 4.33Å; W438-C484 WeakPolarHBondContact O-CB 3.36Å |
| 439 | N | 95.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | trans | -71.7 | 119.5 | 162.8 | -170.4 | -61.2 | 0 | 0 | 0 | 109.5 | M441 S442 V445 S489 | N439-M441 PolarHBondContact O-N 2.73Å; N439-M441 PolarHBondContact OD1-N 3.17Å; N439-S442 CarbonylContact O-C 3.58Å; N439-S442 PolarHBondContact OD1-N 2.98Å; N439-V445 HydrophobicContact CB-CB 4.18Å; N439-V445 HydrophobicContact CB-CG1 4.45Å; N439-V445 VanDerWaalsContact CB-O 3.3Å; N439-V445 WeakPolarHBondContact CB-O 3.2Å; N439-V445 PolarHBondContact N-O 3.41Å; N439-S489 PolarHBondContact ND2-O 3.43Å | ||
| 440 | S | 89.8 | Confident | 93.9 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -65.9 | -25.6 | -174.9 | -66 | 0 | 0 | 0 | 0 | 113.6 | R391 W438 | R391-S440 PolarHBondContact NE-O 2.99Å; W438-S440 PolarHBondContact O-N 3.3Å |
| 441 | M | 90.7 | Very high | 94.5 | Very high | 72 Ų | 72 | 19 Ų | 19 | 36% | 0.355 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -100.1 | -28.5 | -175.7 | -65.5 | -60.7 | -76.8 | 0 | 0 | 112.6 | R391 N439 P443 | R391-M441 PolarHBondContact NH1-O 3.39Å; R391-M441 PolarHBondContact NH2-SD 3.12Å; N439-M441 PolarHBondContact O-N 2.73Å; N439-M441 PolarHBondContact OD1-N 3.17Å; M441-P443 WeakPolarHBondContact O-CD 3.34Å |
| 442 | S | 93.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 24.9 Ų | 24.9 | 30% | 0.301 | 14% | 0.138 | S | C | . | . | trans | -114.6 | 90.6 | 179.2 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | N439 T444 V445 | N439-S442 CarbonylContact O-C 3.58Å; N439-S442 PolarHBondContact OD1-N 2.98Å; S442-T444 PolarHBondContact O-N 2.82Å; S442-V445 PolarHBondContact O-N 3.27Å | ||
| 443 | P | 93.2 | Very high | 94.7 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 20% | 0.195 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 8 | -168.3 | 32.5 | -38.5 | 0 | 0 | 0 | 114.8 | N389 R391 R392 M441 | N389-P443 PolarHBondContact ND2-O 2.87Å; R391-P443 HydrophobicContact CB-CB 4.04Å; R391-P443 HydrophobicContact CB-CG 4.44Å; R392-P443 HydrophobicContact CG-CB 4.05Å; M441-P443 WeakPolarHBondContact O-CD 3.34Å |
| 444 | T | 94 | Very high | 94.6 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -12.7 | 173.1 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | S442 D459 I460 R461 | S442-T444 PolarHBondContact O-N 2.82Å; T444-D459 WeakPolarHBondContact CB-OD1 3.46Å; T444-D459 CarbonylContact O-C 3.52Å; T444-D459 WeakPolarHBondContact O-CA 3.46Å; T444-D459 PolarHBondContact OG1-OD1 3.04Å; T444-D459 PolarHBondContact OG1-OD2 3.43Å; T444-I460 HydrophobicContact CG2-CD1 4.3Å; T444-I460 HydrophobicContact CG2-CG1 4.16Å; T444-I460 PolarHBondContact O-N 2.93Å; T444-R461 HydrophobicContact CG2-CG 3.91Å; T444-R461 PolarHBondContact OG1-NE 3.22Å |
| 445 | V | 95.2 | Very high | 94.6 | Very high | 34 Ų | 34 | 24.1 Ų | 24.1 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.7 | -174.2 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | N439 S442 E458 D459 | N439-V445 HydrophobicContact CB-CB 4.18Å; N439-V445 HydrophobicContact CB-CG1 4.45Å; N439-V445 VanDerWaalsContact CB-O 3.3Å; N439-V445 WeakPolarHBondContact CB-O 3.2Å; N439-V445 PolarHBondContact N-O 3.41Å; S442-V445 PolarHBondContact O-N 3.27Å; V445-E458 VanDerWaalsContact CA-O 3.26Å; V445-E458 WeakPolarHBondContact CA-O 3.24Å; V445-D459 HydrophobicContact CG2-CB 4.31Å; V445-D459 WeakPolarHBondContact CG2-OD2 3.41Å |
| 446 | F | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164.6 | 172.8 | 66.4 | -87.8 | 0 | 0 | 0 | 111 | L397 V405 W426 C437 W438 Y448 F457 E458 I460 | L397-F446 HydrophobicContact CD1-CB 3.4Å; L397-F446 VanDerWaalsContact CD1-CB 3.4Å; L397-F446 HydrophobicContact CD1-CD1 3.93Å; L397-F446 HydrophobicContact CD1-CD2 3.67Å; L397-F446 HydrophobicContact CD1-CE2 4.38Å; L397-F446 HydrophobicContact CD1-CG 3.39Å; L397-F446 HydrophobicContact CD2-CD1 4.39Å; L397-F446 HydrophobicContact CD2-CD2 4.41Å; L397-F446 HydrophobicContact CD2-CE1 4.31Å; L397-F446 HydrophobicContact CD2-CE2 4.32Å; L397-F446 HydrophobicContact CD2-CG 4.43Å; L397-F446 HydrophobicContact CD2-CZ 4.26Å; V405-F446 HydrophobicContact CG1-CE2 3.93Å; V405-F446 HydrophobicContact CG1-CZ 4.46Å; W426-F446 AromaticContact CD2-CZ 3.95Å; W426-F446 HydrophobicContact CD2-CZ 3.95Å; W426-F446 AromaticContact CE2-CZ 3.88Å; W426-F446 AromaticContact CE3-CZ 3.86Å; W426-F446 HydrophobicContact CE3-CZ 3.86Å; W426-F446 AromaticContact CH2-CE1 3.76Å; W426-F446 HydrophobicContact CH2-CE1 3.76Å; W426-F446 AromaticContact CH2-CZ 3.74Å; W426-F446 HydrophobicContact CH2-CZ 3.74Å; W426-F446 AromaticContact CZ2-CE1 3.85Å; W426-F446 HydrophobicContact CZ2-CE1 3.85Å; W426-F446 AromaticContact CZ2-CZ 3.79Å; W426-F446 HydrophobicContact CZ2-CZ 3.79Å; W426-F446 HydrophobicContact CZ3-CE1 4.18Å; W426-F446 AromaticContact CZ3-CZ 3.76Å; W426-F446 HydrophobicContact CZ3-CZ 3.76Å; C437-F446 WeakPolarHBondContact O-CA 3.42Å; C437-F446 WeakPolarHBondContact O-CB 3.47Å; W438-F446 HydrophobicContact CD2-CB 4.25Å; W438-F446 HydrophobicContact CE3-CB 3.91Å; W438-F446 HydrophobicContact CH2-CD1 4.31Å; W438-F446 HydrophobicContact CZ3-CB 4.28Å; W438-F446 HydrophobicContact CZ3-CD1 4.06Å; F446-Y448 HydrophobicContact CD2-CD1 4.26Å; F446-Y448 AromaticContact CE2-CD1 3.84Å; F446-Y448 HydrophobicContact CE2-CD1 3.84Å; F446-Y448 HydrophobicContact CE2-CE1 4.26Å; F446-F457 WeakPolarHBondContact O-CA 3.47Å; F446-E458 HydrophobicContact CD1-CB 3.98Å; F446-E458 HydrophobicContact CD2-CB 4.19Å; F446-E458 HydrophobicContact CE1-CB 3.42Å; F446-E458 VanDerWaalsContact CE1-CB 3.42Å; F446-E458 HydrophobicContact CE1-CG 4.38Å; F446-E458 HydrophobicContact CE2-CB 3.67Å; F446-E458 HydrophobicContact CE2-CG 3.95Å; F446-E458 HydrophobicContact CG-CB 4.34Å; F446-E458 HydrophobicContact CZ-CB 3.26Å; F446-E458 HydrophobicContact CZ-CG 3.74Å; F446-E458 PolarHBondContact N-O 2.91Å; F446-E458 PolarHBondContact O-N 3.32Å; F446-I460 HydrophobicContact CD1-CG2 4.12Å; F446-I460 HydrophobicContact CE1-CG2 3.79Å |
| 447 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | V436 C437 L455 T456 F457 V482 | V436-A447 WeakPolarHBondContact CA-O 3.28Å; C437-A447 PolarHBondContact N-O 3.14Å; C437-A447 PolarHBondContact O-N 2.7Å; A447-L455 HydrophobicContact CB-CD1 4.1Å; A447-T456 CarbonylContact C-O 3.29Å; A447-T456 WeakPolarHBondContact CA-O 3.32Å; A447-F457 HydrophobicContact CB-CD1 3.83Å; A447-F457 HydrophobicContact CB-CE1 3.82Å; A447-V482 HydrophobicContact CB-CG2 4.18Å |
| 448 | Y | 97.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 160 | 172.7 | 66 | -90.3 | 0 | 0 | 0 | 111.4 | V405 V433 D435 F446 T456 E458 | V405-Y448 HydrophobicContact CG2-CD1 3.95Å; V405-Y448 HydrophobicContact CG2-CD2 3.86Å; V405-Y448 HydrophobicContact CG2-CE1 4.15Å; V405-Y448 HydrophobicContact CG2-CE2 4.09Å; V405-Y448 HydrophobicContact CG2-CG 3.77Å; V433-Y448 HydrophobicContact CG1-CD2 4.12Å; V433-Y448 HydrophobicContact CG2-CD2 4.25Å; V433-Y448 HydrophobicContact CG2-CE2 4.48Å; D435-Y448 VanDerWaalsContact O-CA 3.32Å; D435-Y448 WeakPolarHBondContact O-CA 3.32Å; D435-Y448 WeakPolarHBondContact O-CB 3.2Å; F446-Y448 HydrophobicContact CD2-CD1 4.26Å; F446-Y448 AromaticContact CE2-CD1 3.84Å; F446-Y448 HydrophobicContact CE2-CD1 3.84Å; F446-Y448 HydrophobicContact CE2-CE1 4.26Å; Y448-T456 HydrophobicContact CD1-CG2 4.3Å; Y448-T456 HydrophobicContact CE1-CG2 3.46Å; Y448-T456 VanDerWaalsContact CE1-CG2 3.46Å; Y448-T456 HydrophobicContact CE2-CG2 4.21Å; Y448-T456 VanDerWaalsContact CZ-CB 3.46Å; Y448-T456 VanDerWaalsContact CZ-CG2 3.41Å; Y448-T456 PolarHBondContact N-O 3.12Å; Y448-T456 PolarHBondContact O-N 2.96Å; Y448-T456 WeakPolarHBondContact OH-CG2 3.23Å; Y448-E458 HydrophobicContact CE1-CG 3.8Å |
| 449 | V | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.7 | -174.6 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | N434 D435 L454 L455 V479 V482 T494 | N434-V449 HydrophobicContact CB-CG2 4.44Å; N434-V449 PolarHBondContact N-O 2.72Å; D435-V449 HydrophobicContact CB-CG2 4.03Å; D435-V449 PolarHBondContact O-N 3.32Å; D435-V449 VanDerWaalsContact O-N 3.12Å; V449-L454 VanDerWaalsContact CA-O 3.3Å; V449-L454 WeakPolarHBondContact CA-O 3.16Å; V449-L455 HydrophobicContact CG1-CB 4.34Å; V449-L455 HydrophobicContact CG1-CD1 3.69Å; V449-V479 HydrophobicContact CB-CB 3.88Å; V449-V479 HydrophobicContact CB-CG1 3.56Å; V449-V479 HydrophobicContact CG1-CB 4.19Å; V449-V479 HydrophobicContact CG1-CG1 3.48Å; V449-V479 VanDerWaalsContact CG1-CG1 3.48Å; V449-V479 HydrophobicContact CG2-CB 4.5Å; V449-V479 HydrophobicContact CG2-CG1 3.96Å; V449-V482 HydrophobicContact CG1-CB 3.81Å; V449-V482 HydrophobicContact CG1-CG1 4.37Å; V449-V482 HydrophobicContact CG1-CG2 4.23Å; V449-V482 HydrophobicContact CG2-CB 4Å; V449-V482 HydrophobicContact CG2-CG1 4.02Å; V449-T494 HydrophobicContact CG1-CG2 4.12Å |
| 450 | N | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | -179.3 | -170.5 | 74.7 | 6 | 0 | 0 | 0 | 113.9 | E428 A431 P432 N434 E452 G453 L454 V479 | E428-N450 PolarHBondContact OE1-ND2 3.43Å; E428-N450 VanDerWaalsContact OE2-CB 3.32Å; E428-N450 WeakPolarHBondContact OE2-CB 3.3Å; E428-N450 PolarHBondContact OE2-ND2 2.91Å; E428-N450 VanDerWaalsContact OE2-ND2 3.09Å; A431-N450 HydrophobicContact CB-CB 4.13Å; P432-N450 WeakPolarHBondContact O-CA 3.44Å; P432-N450 VanDerWaalsContact O-CB 3.23Å; P432-N450 WeakPolarHBondContact O-CB 3.38Å; N434-N450 VanDerWaalsContact ND2-C 3.3Å; N434-N450 PolarHBondContact ND2-O 3.01Å; N450-E452 VanDerWaalsContact C-N 3.33Å; N450-E452 WeakPolarHBondContact OD1-CA 3.27Å; N450-E452 PolarHBondContact OD1-N 3.41Å; N450-G453 PolarHBondContact O-N 3.14Å; N450-G453 PolarHBondContact OD1-N 3.37Å; N450-G453 VanDerWaalsContact OD1-N 3.12Å; N450-L454 PolarHBondContact N-O 3.28Å; N450-L454 PolarHBondContact OD1-N 2.71Å; N450-V479 PolarHBondContact O-N 2.99Å |
| 451 | D | 90.2 | Very high | 93.7 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 31% | 0.305 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -16.2 | 177.4 | -80.8 | -13 | 0 | 0 | 0 | 115 | P432 N434 G453 K478 | P432-D451 HydrophobicContact CB-CB 4.5Å; P432-D451 WeakPolarHBondContact CB-OD2 3.48Å; P432-D451 HydrophobicContact CG-CB 4.5Å; P432-D451 VanDerWaalsContact CG-OD2 3.32Å; P432-D451 WeakPolarHBondContact CG-OD2 3.41Å; P432-D451 PolarHBondContact O-N 3.01Å; P432-D451 VanDerWaalsContact O-N 3.14Å; N434-D451 PolarHBondContact ND2-N 3.12Å; N434-D451 PolarHBondContact ND2-OD1 3.14Å; N434-D451 PolarHBondContact OD1-OD1 3.36Å; D451-G453 PolarHBondContact O-N 2.88Å; D451-K478 HydrophobicContact CB-CB 4.25Å; D451-K478 WeakPolarHBondContact OD1-CB 2.98Å; D451-K478 WeakPolarHBondContact OD1-CD 3.4Å |
| 452 | E | 90.7 | Very high | 93.2 | Very high | 128 Ų | 128 | 31.7 Ų | 31.7 | 60% | 0.598 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.5 | 175.4 | -65.2 | -70 | 141.2 | 0 | 0 | 112.7 | A431 N450 L454 | A431-E452 HydrophobicContact CB-CB 4.32Å; A431-E452 HydrophobicContact CB-CG 3.49Å; A431-E452 VanDerWaalsContact CB-CG 3.49Å; N450-E452 VanDerWaalsContact C-N 3.33Å; N450-E452 WeakPolarHBondContact OD1-CA 3.27Å; N450-E452 PolarHBondContact OD1-N 3.41Å; E452-L454 VanDerWaalsContact C-N 3.34Å; E452-L454 HydrophobicContact CB-CD1 4.43Å; E452-L454 HydrophobicContact CB-CG 4.19Å; E452-L454 PolarHBondContact O-N 3.22Å |
| 453 | G | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 76.5 | 19 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N450 D451 A473 C474 G477 | N450-G453 PolarHBondContact O-N 3.14Å; N450-G453 PolarHBondContact OD1-N 3.37Å; N450-G453 VanDerWaalsContact OD1-N 3.12Å; D451-G453 PolarHBondContact O-N 2.88Å; G453-A473 PolarHBondContact O-N 2.65Å; G453-C474 PolarHBondContact O-N 2.91Å; G453-C474 VanDerWaalsContact O-N 3.09Å; G453-G477 WeakPolarHBondContact CA-O 3.32Å; G453-G477 PolarHBondContact N-O 2.77Å |
| 454 | L | 94 | Very high | 90.3 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 142 | -178.6 | -55.3 | -179.9 | 0 | 0 | 0 | 112.2 | V449 N450 E452 V470 V471 | V449-L454 VanDerWaalsContact CA-O 3.3Å; V449-L454 WeakPolarHBondContact CA-O 3.16Å; N450-L454 PolarHBondContact N-O 3.28Å; N450-L454 PolarHBondContact OD1-N 2.71Å; E452-L454 VanDerWaalsContact C-N 3.34Å; E452-L454 HydrophobicContact CB-CD1 4.43Å; E452-L454 HydrophobicContact CB-CG 4.19Å; E452-L454 PolarHBondContact O-N 3.22Å; L454-V470 HydrophobicContact CB-CG1 4.22Å; L454-V470 HydrophobicContact CD1-CG1 4.13Å; L454-V470 HydrophobicContact CD2-CG1 4.29Å; L454-V470 HydrophobicContact CG-CG1 4.46Å; L454-V471 WeakPolarHBondContact CA-O 3.02Å |
| 455 | L | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.8 | 165.9 | 172.1 | 63.9 | 0 | 0 | 0 | 108.7 | A447 V449 F457 V471 A473 V482 V492 T494 W504 | A447-L455 HydrophobicContact CB-CD1 4.1Å; V449-L455 HydrophobicContact CG1-CB 4.34Å; V449-L455 HydrophobicContact CG1-CD1 3.69Å; L455-F457 HydrophobicContact CD1-CE2 4.42Å; L455-F457 HydrophobicContact CD1-CZ 4.29Å; L455-F457 HydrophobicContact CD2-CE2 3.66Å; L455-F457 HydrophobicContact CD2-CZ 3.64Å; L455-F457 HydrophobicContact CG-CD2 4.44Å; L455-F457 HydrophobicContact CG-CE2 3.69Å; L455-F457 HydrophobicContact CG-CZ 3.93Å; L455-V471 PolarHBondContact N-O 3.13Å; L455-V471 PolarHBondContact O-N 3.43Å; L455-A473 HydrophobicContact CB-CB 3.91Å; L455-V482 HydrophobicContact CD1-CG2 3.94Å; L455-V492 HydrophobicContact CD1-CG1 4.5Å; L455-T494 HydrophobicContact CB-CG2 4.32Å; L455-T494 HydrophobicContact CD1-CG2 3.93Å; L455-T494 HydrophobicContact CD2-CG2 3.78Å; L455-T494 HydrophobicContact CG-CG2 4.22Å; L455-W504 HydrophobicContact CD2-CB 4.44Å; L455-W504 HydrophobicContact CD2-CD2 4.02Å; L455-W504 HydrophobicContact CD2-CG 3.78Å |
| 456 | T | 94.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.3 | -177.3 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | A447 Y448 E458 P467 V470 | A447-T456 CarbonylContact C-O 3.29Å; A447-T456 WeakPolarHBondContact CA-O 3.32Å; Y448-T456 HydrophobicContact CD1-CG2 4.3Å; Y448-T456 HydrophobicContact CE1-CG2 3.46Å; Y448-T456 VanDerWaalsContact CE1-CG2 3.46Å; Y448-T456 HydrophobicContact CE2-CG2 4.21Å; Y448-T456 VanDerWaalsContact CZ-CB 3.46Å; Y448-T456 VanDerWaalsContact CZ-CG2 3.41Å; Y448-T456 PolarHBondContact N-O 3.12Å; Y448-T456 PolarHBondContact O-N 2.96Å; Y448-T456 WeakPolarHBondContact OH-CG2 3.23Å; T456-E458 HydrophobicContact CG2-CG 4.41Å; T456-P467 HydrophobicContact CG2-CB 3.59Å; T456-P467 HydrophobicContact CG2-CG 4.44Å; T456-V470 HydrophobicContact CG2-CG2 3.94Å |
| 457 | F | 94.1 | Very high | 86.7 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.057 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.2 | 175.5 | -64.6 | -85.9 | 0 | 0 | 0 | 110.8 | F446 A447 L455 V468 S469 V492 T506 L509 | F446-F457 WeakPolarHBondContact O-CA 3.47Å; A447-F457 HydrophobicContact CB-CD1 3.83Å; A447-F457 HydrophobicContact CB-CE1 3.82Å; L455-F457 HydrophobicContact CD1-CE2 4.42Å; L455-F457 HydrophobicContact CD1-CZ 4.29Å; L455-F457 HydrophobicContact CD2-CE2 3.66Å; L455-F457 HydrophobicContact CD2-CZ 3.64Å; L455-F457 HydrophobicContact CG-CD2 4.44Å; L455-F457 HydrophobicContact CG-CE2 3.69Å; L455-F457 HydrophobicContact CG-CZ 3.93Å; F457-V468 WeakPolarHBondContact O-CB 3.47Å; F457-V468 PolarHBondContact O-N 2.78Å; F457-V468 VanDerWaalsContact O-N 3.11Å; F457-S469 PolarHBondContact N-O 3.22Å; F457-S469 PolarHBondContact O-N 2.77Å; F457-V492 HydrophobicContact CE1-CG2 3.81Å; F457-V492 HydrophobicContact CZ-CB 4.49Å; F457-V492 HydrophobicContact CZ-CG2 4.21Å; F457-T506 HydrophobicContact CD1-CG2 4.43Å; F457-T506 HydrophobicContact CE1-CG2 3.73Å; F457-T506 HydrophobicContact CZ-CG2 4.08Å; F457-L509 HydrophobicContact CD2-CD1 3.8Å; F457-L509 HydrophobicContact CD2-CD2 4.42Å; F457-L509 HydrophobicContact CE2-CD1 3.83Å; F457-L509 HydrophobicContact CE2-CD2 3.6Å; F457-L509 HydrophobicContact CE2-CG 4.39Å; F457-L509 HydrophobicContact CZ-CD2 4.01Å |
| 458 | E | 93.8 | Very high | 85.9 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.9 | -177.5 | -73.3 | -67.3 | 179.6 | 0 | 0 | 111.8 | W426 V445 F446 Y448 T456 P467 | W426-E458 VanDerWaalsContact NE1-CD 3.28Å; W426-E458 PolarHBondContact NE1-OE2 3.44Å; V445-E458 VanDerWaalsContact CA-O 3.26Å; V445-E458 WeakPolarHBondContact CA-O 3.24Å; F446-E458 HydrophobicContact CD1-CB 3.98Å; F446-E458 HydrophobicContact CD2-CB 4.19Å; F446-E458 HydrophobicContact CE1-CB 3.42Å; F446-E458 VanDerWaalsContact CE1-CB 3.42Å; F446-E458 HydrophobicContact CE1-CG 4.38Å; F446-E458 HydrophobicContact CE2-CB 3.67Å; F446-E458 HydrophobicContact CE2-CG 3.95Å; F446-E458 HydrophobicContact CG-CB 4.34Å; F446-E458 HydrophobicContact CZ-CB 3.26Å; F446-E458 HydrophobicContact CZ-CG 3.74Å; F446-E458 PolarHBondContact N-O 2.91Å; F446-E458 PolarHBondContact O-N 3.32Å; Y448-E458 HydrophobicContact CE1-CG 3.8Å; T456-E458 HydrophobicContact CG2-CG 4.41Å; E458-P467 WeakPolarHBondContact OE1-CA 3.45Å; E458-P467 VanDerWaalsContact OE1-CB 3.25Å; E458-P467 WeakPolarHBondContact OE1-CB 3.18Å |
| 459 | D | 92.3 | Very high | 85.5 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.9 | 171 | -167.6 | -47.7 | 0 | 0 | 0 | 110.5 | T444 V445 R461 T462 V468 | T444-D459 WeakPolarHBondContact CB-OD1 3.46Å; T444-D459 CarbonylContact O-C 3.52Å; T444-D459 WeakPolarHBondContact O-CA 3.46Å; T444-D459 PolarHBondContact OG1-OD1 3.04Å; T444-D459 PolarHBondContact OG1-OD2 3.43Å; V445-D459 HydrophobicContact CG2-CB 4.31Å; V445-D459 WeakPolarHBondContact CG2-OD2 3.41Å; D459-R461 PolarHBondContact O-N 2.88Å; D459-R461 WeakPolarHBondContact OD1-CB 3.45Å; D459-R461 VanDerWaalsContact OD1-CG 3.27Å; D459-R461 WeakPolarHBondContact OD1-CG 3.27Å; D459-R461 IonicContact OD1-CZ 3.21Å; D459-R461 PolarHBondContact OD1-N 2.96Å; D459-R461 IonicContact OD1-NE 3.75Å; D459-R461 PolarHBondContact OD1-NE 3.37Å; D459-R461 IonicContact OD1-NH2 3.19Å; D459-R461 IonicContact OD2-CZ 3.51Å; D459-R461 VanDerWaalsContact OD2-CZ 3.31Å; D459-R461 IonicContact OD2-NE 3.91Å; D459-R461 PolarHBondContact OD2-NE 3.06Å; D459-R461 VanDerWaalsContact OD2-NE 3.15Å; D459-R461 IonicContact OD2-NH2 2.92Å; D459-R461 PolarHBondContact OD2-NH2 3.3Å; D459-T462 HydrophobicContact CB-CG2 4.28Å; D459-T462 PolarHBondContact O-N 2.86Å; D459-T462 PolarHBondContact O-OG1 2.82Å; D459-V468 HydrophobicContact CB-CG2 4.01Å |
| 460 | I | 92.7 | Very high | 85.2 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.3 | -177.5 | 68.4 | -176.9 | 0 | 0 | 0 | 114 | Y395 L407 W426 W438 T444 F446 | Y395-I460 HydrophobicContact CE1-CD1 4.37Å; L407-I460 HydrophobicContact CD2-CB 4.37Å; L407-I460 HydrophobicContact CD2-CG2 3.78Å; W426-I460 HydrophobicContact CH2-CG2 4.07Å; W426-I460 HydrophobicContact CZ2-CG2 4.38Å; W438-I460 HydrophobicContact CH2-CD1 4.13Å; W438-I460 HydrophobicContact CH2-CG2 3.98Å; W438-I460 HydrophobicContact CZ3-CD1 4.4Å; W438-I460 HydrophobicContact CZ3-CG2 4.33Å; T444-I460 HydrophobicContact CG2-CD1 4.3Å; T444-I460 HydrophobicContact CG2-CG1 4.16Å; T444-I460 PolarHBondContact O-N 2.93Å; F446-I460 HydrophobicContact CD1-CG2 4.12Å; F446-I460 HydrophobicContact CE1-CG2 3.79Å |
| 461 | R | 88.2 | Confident | 85.1 | Confident | 172 Ų | 172 | 63.7 Ų | 63.7 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.3 | 173.8 | -60.1 | 174.3 | -70.5 | 171.5 | 1 | 112.4 | T444 D459 | T444-R461 HydrophobicContact CG2-CG 3.91Å; T444-R461 PolarHBondContact OG1-NE 3.22Å; D459-R461 PolarHBondContact O-N 2.88Å; D459-R461 WeakPolarHBondContact OD1-CB 3.45Å; D459-R461 VanDerWaalsContact OD1-CG 3.27Å; D459-R461 WeakPolarHBondContact OD1-CG 3.27Å; D459-R461 IonicContact OD1-CZ 3.21Å; D459-R461 PolarHBondContact OD1-N 2.96Å; D459-R461 IonicContact OD1-NE 3.75Å; D459-R461 PolarHBondContact OD1-NE 3.37Å; D459-R461 IonicContact OD1-NH2 3.19Å; D459-R461 IonicContact OD2-CZ 3.51Å; D459-R461 VanDerWaalsContact OD2-CZ 3.31Å; D459-R461 IonicContact OD2-NE 3.91Å; D459-R461 PolarHBondContact OD2-NE 3.06Å; D459-R461 VanDerWaalsContact OD2-NE 3.15Å; D459-R461 IonicContact OD2-NH2 2.92Å; D459-R461 PolarHBondContact OD2-NH2 3.3Å |
| 462 | T | 81.2 | Confident | 85.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | trans | -80.6 | 127.4 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | D459 V468 | D459-T462 HydrophobicContact CB-CG2 4.28Å; D459-T462 PolarHBondContact O-N 2.86Å; D459-T462 PolarHBondContact O-OG1 2.82Å; T462-V468 HydrophobicContact CG2-CG2 4.37Å | ||
| 463 | K | 66.5 | Low | 85.1 | Confident | 211 Ų | 211 | 58 Ų | 58 | 92% | 0.917 | 31% | 0.312 | S | S | * | . | trans | -89.8 | 14.5 | 174.1 | -66.9 | -173.5 | 175.6 | -177 | 0 | 112.7 | ||||
| 464 | I | 58.9 | Low | 84.8 | Confident | 115 Ų | 115 | 58 Ų | 58 | 59% | 0.59 | 31% | 0.312 | S | S | * | . | trans | -79.7 | 142.5 | -171.8 | -57.5 | 171.3 | 0 | 0 | 0 | 108.4 | S466 | I464-S466 VanDerWaalsContact CG2-OG 3.26Å; I464-S466 WeakPolarHBondContact CG2-OG 3.48Å; I464-S466 PolarHBondContact O-N 2.83Å | ||
| 465 | T | 68.1 | Low | 84.1 | Confident | 155 Ų | 155 | 62.9 Ų | 62.9 | 95% | 0.951 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -76.4 | 0.2 | 179.3 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 466 | S | 68.3 | Low | 83.1 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -121.3 | 144.2 | 179.8 | 62.7 | 0 | 0 | 0 | 0 | 109.9 | I464 | I464-S466 VanDerWaalsContact CG2-OG 3.26Å; I464-S466 WeakPolarHBondContact CG2-OG 3.48Å; I464-S466 PolarHBondContact O-N 2.83Å |
| 467 | P | 73.5 | Confident | 82.5 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | trans | -57.3 | 149.8 | 177.6 | 22.7 | -33.6 | 0 | 0 | 0 | 112.2 | T456 E458 S469 V470 | T456-P467 HydrophobicContact CG2-CB 3.59Å; T456-P467 HydrophobicContact CG2-CG 4.44Å; E458-P467 WeakPolarHBondContact OE1-CA 3.45Å; E458-P467 VanDerWaalsContact OE1-CB 3.25Å; E458-P467 WeakPolarHBondContact OE1-CB 3.18Å; P467-S469 VanDerWaalsContact C-N 3.3Å; P467-S469 PolarHBondContact O-N 3.39Å; P467-V470 HydrophobicContact CB-CG2 3.74Å; P467-V470 HydrophobicContact CG-CG2 3.31Å | ||
| 468 | V | 80.9 | Confident | 82.2 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -62.9 | -40.1 | -179 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | F457 D459 T462 | F457-V468 WeakPolarHBondContact O-CB 3.47Å; F457-V468 PolarHBondContact O-N 2.78Å; F457-V468 VanDerWaalsContact O-N 3.11Å; D459-V468 HydrophobicContact CB-CG2 4.01Å; T462-V468 HydrophobicContact CG2-CG2 4.37Å |
| 469 | S | 88.2 | Confident | 82.2 | Confident | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 144.3 | 172.2 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | F457 P467 | F457-S469 PolarHBondContact N-O 3.22Å; F457-S469 PolarHBondContact O-N 2.77Å; P467-S469 VanDerWaalsContact C-N 3.3Å; P467-S469 PolarHBondContact O-N 3.39Å |
| 470 | V | 90.7 | Very high | 82.2 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.5 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | L454 T456 P467 | L454-V470 HydrophobicContact CB-CG1 4.22Å; L454-V470 HydrophobicContact CD1-CG1 4.13Å; L454-V470 HydrophobicContact CD2-CG1 4.29Å; L454-V470 HydrophobicContact CG-CG1 4.46Å; T456-V470 HydrophobicContact CG2-CG2 3.94Å; P467-V470 HydrophobicContact CB-CG2 3.74Å; P467-V470 HydrophobicContact CG-CG2 3.31Å |
| 471 | V | 92.5 | Very high | 82.4 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 13% | 0.127 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.2 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 109 | L454 L455 A473 W504 L509 | L454-V471 WeakPolarHBondContact CA-O 3.02Å; L455-V471 PolarHBondContact N-O 3.13Å; L455-V471 PolarHBondContact O-N 3.43Å; V471-A473 PolarHBondContact O-N 3Å; V471-W504 HydrophobicContact CG1-CE3 4.22Å; V471-W504 HydrophobicContact CG1-CH2 3.67Å; V471-W504 HydrophobicContact CG1-CZ3 3.45Å; V471-W504 VanDerWaalsContact CG1-CZ3 3.45Å; V471-L509 HydrophobicContact CG2-CB 3.77Å; V471-L509 HydrophobicContact CG2-CD1 4.26Å; V471-L509 HydrophobicContact CG2-CD2 4.22Å; V471-L509 HydrophobicContact CG2-CG 4.3Å |
| 472 | T | 91.4 | Very high | 82.8 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 39% | 0.387 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 109 | 169 | -53.5 | 0 | 0 | 0 | 0 | 108.7 | C474 | T472-C474 WeakPolarHBondContact CG2-O 3.11Å |
| 473 | A | 89.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | trans | -89.6 | -26.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G453 L455 V471 V479 T494 K502 W504 | G453-A473 PolarHBondContact O-N 2.65Å; L455-A473 HydrophobicContact CB-CB 3.91Å; V471-A473 PolarHBondContact O-N 3Å; A473-V479 HydrophobicContact CB-CG2 3.83Å; A473-T494 HydrophobicContact CB-CG2 4.25Å; A473-K502 VanDerWaalsContact O-CD 3.27Å; A473-K502 WeakPolarHBondContact O-CD 3.29Å; A473-K502 WeakPolarHBondContact O-CE 3.29Å; A473-K502 PolarHBondContact O-NZ 2.81Å; A473-W504 HydrophobicContact CB-CZ2 3.7Å | ||
| 474 | C | 86.6 | Confident | 85 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -140.4 | 134.6 | 172.8 | -170.5 | 0 | 0 | 0 | 0 | 109 | G453 T472 V479 A496 E500 | G453-C474 PolarHBondContact O-N 2.91Å; G453-C474 VanDerWaalsContact O-N 3.09Å; T472-C474 WeakPolarHBondContact CG2-O 3.11Å; C474-V479 HydrophobicContact CB-CG2 3.8Å; C474-A496 HydrophobicContact CB-CB 3.82Å; C474-E500 PolarHBondContact SG-OE2 2.98Å |
| 475 | H | 79.1 | Confident | 86.7 | Confident | 144 Ų | 144 | 42.1 Ų | 42.1 | 67% | 0.667 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -91.8 | 128.4 | 174.4 | -70.3 | -73.3 | 0 | 0 | 0 | 109.1 | G477 | H475-G477 PolarHBondContact O-N 2.56Š|
| 476 | G | 73.6 | Confident | 87.9 | Confident | 62 Ų | 62 | 37 Ų | 37 | 64% | 0.639 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 69.7 | 11.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y498 | G476-Y498 PolarHBondContact O-OH 2.94Š|
| 477 | G | 81.8 | Confident | 89 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -141.8 | 169.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G453 H475 S497 | G453-G477 WeakPolarHBondContact CA-O 3.32Å; G453-G477 PolarHBondContact N-O 2.77Å; H475-G477 PolarHBondContact O-N 2.56Å; G477-S497 WeakPolarHBondContact CA-OG 3.09Å |
| 478 | K | 87.7 | Confident | 89.9 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | trans | -96.4 | 144.1 | 179.8 | 58.9 | 178.5 | -178.7 | -175.7 | 0 | 111.3 | D451 A496 S497 | D451-K478 HydrophobicContact CB-CB 4.25Å; D451-K478 WeakPolarHBondContact OD1-CB 2.98Å; D451-K478 WeakPolarHBondContact OD1-CD 3.4Å; K478-A496 CarbonylContact O-C 3.56Å; K478-A496 WeakPolarHBondContact O-CA 2.98Å; K478-S497 PolarHBondContact N-OG 3.39Å; K478-S497 PolarHBondContact O-N 3.19Å; K478-S497 PolarHBondContact O-OG 3.2Å | ||
| 479 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.5 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | N434 V449 N450 A473 C474 T494 A496 | N434-V479 WeakPolarHBondContact CB-O 3.41Å; N434-V479 PolarHBondContact ND2-O 2.04Å; V449-V479 HydrophobicContact CB-CB 3.88Å; V449-V479 HydrophobicContact CB-CG1 3.56Å; V449-V479 HydrophobicContact CG1-CB 4.19Å; V449-V479 HydrophobicContact CG1-CG1 3.48Å; V449-V479 VanDerWaalsContact CG1-CG1 3.48Å; V449-V479 HydrophobicContact CG2-CB 4.5Å; V449-V479 HydrophobicContact CG2-CG1 3.96Å; N450-V479 PolarHBondContact O-N 2.99Å; A473-V479 HydrophobicContact CB-CG2 3.83Å; C474-V479 HydrophobicContact CB-CG2 3.8Å; V479-T494 HydrophobicContact CG1-CG2 4.15Å; V479-A496 HydrophobicContact CG2-CB 4.11Å |
| 480 | S | 92.9 | Very high | 90.6 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -29.6 | -168 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | G495 I523 | S480-G495 PolarHBondContact N-O 2.98Å; S480-I523 WeakPolarHBondContact CB-O 3.45Å |
| 481 | S | 95.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 149 | -176 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | T494 G495 I523 | S481-T494 WeakPolarHBondContact O-CA 3.21Å; S481-G495 PolarHBondContact N-O 2.81Å; S481-G495 PolarHBondContact O-N 3.14Å; S481-I523 PolarHBondContact OG-O 2.75Å |
| 482 | V | 97.4 | Very high | 91 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.8 | 176.9 | 64 | 0 | 0 | 0 | 0 | 111.3 | D435 C437 A447 V449 L455 V492 L493 | D435-V482 HydrophobicContact CB-CG1 4.1Å; D435-V482 PolarHBondContact OD2-N 3.48Å; C437-V482 HydrophobicContact CB-CG1 3.99Å; A447-V482 HydrophobicContact CB-CG2 4.18Å; V449-V482 HydrophobicContact CG1-CB 3.81Å; V449-V482 HydrophobicContact CG1-CG1 4.37Å; V449-V482 HydrophobicContact CG1-CG2 4.23Å; V449-V482 HydrophobicContact CG2-CB 4Å; V449-V482 HydrophobicContact CG2-CG1 4.02Å; L455-V482 HydrophobicContact CD1-CG2 3.94Å; V482-V492 HydrophobicContact CG2-CG1 3.7Å; V482-L493 WeakPolarHBondContact CA-O 3.49Å |
| 483 | A | 97.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 32 Ų | 32 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 112.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L493 L526 W528 | A483-L493 HydrophobicContact CB-CB 4.43Å; A483-L493 PolarHBondContact N-O 3.03Å; A483-L493 PolarHBondContact O-N 2.96Å; A483-L526 HydrophobicContact CB-CB 4.26Å; A483-W528 PolarHBondContact O-NE1 3.46Å |
| 484 | C | 96.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 138.1 | 170.8 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | C437 W438 | C437-C484 VanDerWaalsContact SG-CB 3.56Å; C437-C484 PolarHBondContact SG-N 2.89Å; C437-C484 VanDerWaalsContact SG-SG 3.68Å; W438-C484 WeakPolarHBondContact O-CB 3.36Å |
| 485 | N | 95.8 | Very high | 92 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -64 | 133.4 | 178 | -171.6 | -70.1 | 0 | 0 | 0 | 110.8 | T487 N488 F491 W528 E533 | N485-T487 VanDerWaalsContact C-N 3.33Å; N485-T487 PolarHBondContact O-N 2.91Å; N485-T487 PolarHBondContact OD1-N 3.13Å; N485-T487 PolarHBondContact OD1-OG1 3.18Å; N485-N488 HydrophobicContact CB-CB 4.27Å; N485-N488 WeakPolarHBondContact CB-O 3.5Å; N485-N488 PolarHBondContact OD1-N 2.89Å; N485-F491 HydrophobicContact CB-CB 3.93Å; N485-F491 VanDerWaalsContact CB-O 3.32Å; N485-F491 WeakPolarHBondContact CB-O 3.43Å; N485-F491 PolarHBondContact N-O 3.08Å; N485-W528 HydrophobicContact CB-CD2 4.25Å; N485-W528 HydrophobicContact CB-CZ2 4.02Å; N485-W528 WeakPolarHBondContact ND2-CZ3 3.49Å; N485-E533 PolarHBondContact ND2-O 3.22Å | ||
| 486 | P | 93 | Very high | 92.6 | Very high | 49 Ų | 49 | 25 Ų | 25 | 32% | 0.318 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -72.7 | -24.4 | -175.2 | 27.1 | -34.7 | 0 | 0 | 0 | 113.6 | W528 | P486-W528 HydrophobicContact CG-CB 4.14Š|
| 487 | T | 91 | Very high | 92.9 | Very high | 78 Ų | 78 | 22.3 Ų | 22.3 | 48% | 0.479 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -109.8 | -22.1 | -174.4 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | N485 | N485-T487 VanDerWaalsContact C-N 3.33Å; N485-T487 PolarHBondContact O-N 2.91Å; N485-T487 PolarHBondContact OD1-N 3.13Å; N485-T487 PolarHBondContact OD1-OG1 3.18Å |
| 488 | N | 92.1 | Very high | 92.5 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | trans | -120.6 | 123.3 | -175.7 | -168.4 | -38.1 | 0 | 0 | 0 | 109.9 | N485 Y490 F491 E533 | N485-N488 HydrophobicContact CB-CB 4.27Å; N485-N488 WeakPolarHBondContact CB-O 3.5Å; N485-N488 PolarHBondContact OD1-N 2.89Å; N488-Y490 PolarHBondContact O-N 2.79Å; N488-Y490 WeakPolarHBondContact OD1-CD2 3.34Å; N488-Y490 PolarHBondContact OD1-N 3.03Å; N488-F491 HydrophobicContact CB-CD2 4.03Å; N488-F491 VanDerWaalsContact ND2-CD2 3.35Å; N488-F491 WeakPolarHBondContact ND2-CD2 3.47Å; N488-F491 VanDerWaalsContact ND2-CE2 3.27Å; N488-F491 WeakPolarHBondContact ND2-CE2 3.23Å; N488-E533 PolarHBondContact ND2-OE1 2.91Å | ||
| 489 | S | 91.6 | Very high | 92 | Very high | 25 Ų | 25 | 20.6 Ų | 20.6 | 18% | 0.175 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13 | -177 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | N439 | N439-S489 PolarHBondContact ND2-O 3.43Š|
| 490 | Y | 92.7 | Very high | 91.7 | Very high | 97 Ų | 97 | 22.4 Ų | 22.4 | 38% | 0.38 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -15.1 | -168.7 | -53.1 | -59.7 | 0 | 0 | 0 | 114.1 | N488 D505 T506 R507 | N488-Y490 PolarHBondContact O-N 2.79Å; N488-Y490 WeakPolarHBondContact OD1-CD2 3.34Å; N488-Y490 PolarHBondContact OD1-N 3.03Å; Y490-D505 CarbonylContact O-C 3.49Å; Y490-D505 VanDerWaalsContact O-CA 3.29Å; Y490-D505 WeakPolarHBondContact O-CA 3.17Å; Y490-T506 WeakPolarHBondContact CA-OG1 3.24Å; Y490-T506 PolarHBondContact O-N 2.77Å; Y490-R507 HydrophobicContact CD1-CG 3.51Å; Y490-R507 HydrophobicContact CE1-CG 3.85Å; Y490-R507 HydrophobicContact CG-CG 4.13Å |
| 491 | F | 94.3 | Very high | 91.6 | Very high | 48 Ų | 48 | 21.7 Ų | 21.7 | 21% | 0.211 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.3 | -174.7 | -67 | -44.7 | 0 | 0 | 0 | 112.7 | N485 N488 L503 W504 D505 W528 | N485-F491 HydrophobicContact CB-CB 3.93Å; N485-F491 VanDerWaalsContact CB-O 3.32Å; N485-F491 WeakPolarHBondContact CB-O 3.43Å; N485-F491 PolarHBondContact N-O 3.08Å; N488-F491 HydrophobicContact CB-CD2 4.03Å; N488-F491 VanDerWaalsContact ND2-CD2 3.35Å; N488-F491 WeakPolarHBondContact ND2-CD2 3.47Å; N488-F491 VanDerWaalsContact ND2-CE2 3.27Å; N488-F491 WeakPolarHBondContact ND2-CE2 3.23Å; F491-L503 HydrophobicContact CB-CD1 4.01Å; F491-L503 HydrophobicContact CD1-CD1 4.1Å; F491-L503 HydrophobicContact CD1-CG 4.49Å; F491-L503 HydrophobicContact CG-CD1 4.23Å; F491-W504 WeakPolarHBondContact CA-O 3.44Å; F491-D505 HydrophobicContact CE1-CB 4.48Å; F491-W528 HydrophobicContact CB-CH2 4.5Å; F491-W528 HydrophobicContact CB-CZ2 4.2Å |
| 492 | V | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.8 | 177 | 177 | 0 | 0 | 0 | 0 | 108.5 | L455 F457 V482 W504 T506 | L455-V492 HydrophobicContact CD1-CG1 4.5Å; F457-V492 HydrophobicContact CE1-CG2 3.81Å; F457-V492 HydrophobicContact CZ-CB 4.49Å; F457-V492 HydrophobicContact CZ-CG2 4.21Å; V482-V492 HydrophobicContact CG2-CG1 3.7Å; V492-W504 HydrophobicContact CB-CB 4.4Å; V492-W504 PolarHBondContact N-O 3.23Å; V492-W504 VanDerWaalsContact N-O 3.1Å; V492-W504 PolarHBondContact O-N 3.21Å; V492-T506 HydrophobicContact CG2-CG2 3.86Å |
| 493 | L | 96.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 144.5 | 170.8 | -65.2 | 166.5 | 0 | 0 | 0 | 110.4 | V482 A483 I501 K502 L503 L526 W528 L536 | V482-L493 WeakPolarHBondContact CA-O 3.49Å; A483-L493 HydrophobicContact CB-CB 4.43Å; A483-L493 PolarHBondContact N-O 3.03Å; A483-L493 PolarHBondContact O-N 2.96Å; L493-I501 HydrophobicContact CD2-CG2 4.24Å; L493-K502 CarbonylContact C-O 3.49Å; L493-K502 VanDerWaalsContact CA-O 3.3Å; L493-K502 WeakPolarHBondContact CA-O 3.38Å; L493-L503 HydrophobicContact CD2-CB 4.11Å; L493-L503 HydrophobicContact CD2-CD1 3.89Å; L493-L526 HydrophobicContact CB-CD1 4.05Å; L493-W528 HydrophobicContact CD1-CD2 3.76Å; L493-W528 HydrophobicContact CD1-CE3 4.21Å; L493-W528 HydrophobicContact CD1-CG 4.35Å; L493-W528 HydrophobicContact CD1-CH2 3.98Å; L493-W528 HydrophobicContact CD1-CZ2 3.52Å; L493-W528 HydrophobicContact CD1-CZ3 4.29Å; L493-W528 HydrophobicContact CD2-CH2 4.12Å; L493-W528 HydrophobicContact CD2-CZ2 3.92Å; L493-W528 HydrophobicContact CG-CD2 4.47Å; L493-W528 HydrophobicContact CG-CH2 3.97Å; L493-W528 HydrophobicContact CG-CZ2 3.33Å; L493-L536 HydrophobicContact CD1-CB 3.73Å; L493-L536 HydrophobicContact CD1-CD1 4.37Å; L493-L536 HydrophobicContact CD1-CD2 3.66Å; L493-L536 HydrophobicContact CD1-CG 4.12Å; L493-L536 HydrophobicContact CD2-CD2 3.88Å; L493-L536 HydrophobicContact CG-CD2 4.44Å |
| 494 | T | 97.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.8 | 164.9 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | V449 L455 A473 V479 S481 I501 K502 W504 L526 | V449-T494 HydrophobicContact CG1-CG2 4.12Å; L455-T494 HydrophobicContact CB-CG2 4.32Å; L455-T494 HydrophobicContact CD1-CG2 3.93Å; L455-T494 HydrophobicContact CD2-CG2 3.78Å; L455-T494 HydrophobicContact CG-CG2 4.22Å; A473-T494 HydrophobicContact CB-CG2 4.25Å; V479-T494 HydrophobicContact CG1-CG2 4.15Å; S481-T494 WeakPolarHBondContact O-CA 3.21Å; T494-I501 WeakPolarHBondContact O-CA 3.28Å; T494-K502 PolarHBondContact N-O 2.96Å; T494-K502 PolarHBondContact O-N 2.92Å; T494-W504 PolarHBondContact OG1-NE1 3.26Å; T494-L526 VanDerWaalsContact C-CD1 3.43Å |
| 495 | G | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S480 S481 L526 | S480-G495 PolarHBondContact N-O 2.98Å; S481-G495 PolarHBondContact N-O 2.81Å; S481-G495 PolarHBondContact O-N 3.14Å; G495-L526 VanDerWaalsContact CA-CD1 3.43Å |
| 496 | A | 92.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C474 K478 V479 E500 I523 | C474-A496 HydrophobicContact CB-CB 3.82Å; K478-A496 CarbonylContact O-C 3.56Å; K478-A496 WeakPolarHBondContact O-CA 2.98Å; V479-A496 HydrophobicContact CG2-CB 4.11Å; A496-E500 HydrophobicContact CB-CB 4.26Å; A496-E500 PolarHBondContact N-O 3.42Å; A496-I523 PolarHBondContact O-N 3.12Å |
| 497 | S | 80.2 | Confident | 90.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -51 | 165.6 | 149.8 | 50.7 | 0 | 0 | 0 | 0 | 109.1 | G477 K478 G499 D522 | G477-S497 WeakPolarHBondContact CA-OG 3.09Å; K478-S497 PolarHBondContact N-OG 3.39Å; K478-S497 PolarHBondContact O-N 3.19Å; K478-S497 PolarHBondContact O-OG 3.2Å; S497-G499 VanDerWaalsContact C-N 3.29Å; S497-G499 PolarHBondContact O-N 3.47Å; S497-D522 VanDerWaalsContact CA-OD1 3.23Å; S497-D522 WeakPolarHBondContact CA-OD1 3.45Å; S497-D522 WeakPolarHBondContact CB-OD1 3.47Å |
| 498 | Y | 73.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 32 Ų | 32 | 21% | 0.208 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 21.9 | 166.3 | -52.6 | -26.1 | 0 | 0 | 0 | 115.2 | E27 G476 E500 G519 D522 | E27-Y498 HydrophobicContact CB-CD1 3.13Å; E27-Y498 HydrophobicContact CB-CD2 3.74Å; E27-Y498 HydrophobicContact CB-CE1 3.48Å; E27-Y498 VanDerWaalsContact CB-CE1 3.48Å; E27-Y498 HydrophobicContact CB-CE2 4.03Å; E27-Y498 HydrophobicContact CB-CG 3.28Å; E27-Y498 HydrophobicContact CG-CD1 3.2Å; E27-Y498 HydrophobicContact CG-CD2 4.39Å; E27-Y498 HydrophobicContact CG-CE1 3.97Å; E27-Y498 HydrophobicContact CG-CG 3.47Å; E27-Y498 VanDerWaalsContact CG-CG 3.47Å; E27-Y498 WeakPolarHBondContact O-CE1 3.29Å; E27-Y498 PolarHBondContact O-OH 3.16Å; E27-Y498 WeakPolarHBondContact OE1-CA 3.29Å; E27-Y498 VanDerWaalsContact OE1-CB 3.31Å; E27-Y498 WeakPolarHBondContact OE1-CB 3.42Å; E27-Y498 VanDerWaalsContact OE2-CB 3.25Å; E27-Y498 WeakPolarHBondContact OE2-CB 3.27Å; G476-Y498 PolarHBondContact O-OH 2.94Å; Y498-E500 PolarHBondContact O-N 3Å; Y498-G519 CarbonylContact C-O 3.58Å; Y498-G519 VanDerWaalsContact C-O 3.28Å; Y498-D522 PolarHBondContact N-OD1 3.05Å; Y498-D522 VanDerWaalsContact N-OD1 3.12Å |
| 499 | G | 77.5 | Confident | 90.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 4.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S497 I501 L518 G519 R521 | S497-G499 VanDerWaalsContact C-N 3.29Å; S497-G499 PolarHBondContact O-N 3.47Å; G499-I501 PolarHBondContact O-N 2.78Å; G499-L518 WeakPolarHBondContact O-CB 3.14Å; G499-L518 PolarHBondContact O-N 3.05Å; G499-L518 VanDerWaalsContact O-N 3.12Å; G499-G519 WeakPolarHBondContact CA-O 2.98Å; G499-G519 PolarHBondContact N-O 3Å; G499-R521 WeakPolarHBondContact CA-O 3.35Å; G499-R521 PolarHBondContact N-O 3.16Å |
| 500 | E | 87 | Confident | 90.1 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.5 | 179.9 | -61.8 | -168.4 | 120.2 | 0 | 0 | 110.7 | C474 A496 Y498 K502 | C474-E500 PolarHBondContact SG-OE2 2.98Å; A496-E500 HydrophobicContact CB-CB 4.26Å; A496-E500 PolarHBondContact N-O 3.42Å; Y498-E500 PolarHBondContact O-N 3Å; E500-K502 VanDerWaalsContact CD-CE 3.48Å; E500-K502 WeakPolarHBondContact OE1-CE 3.26Å; E500-K502 IonicContact OE1-NZ 3.77Å; E500-K502 PolarHBondContact OE1-NZ 3.23Å; E500-K502 WeakPolarHBondContact OE2-CE 3.18Å; E500-K502 IonicContact OE2-NZ 2.68Å; E500-K502 PolarHBondContact OE2-NZ 2.9Å |
| 501 | I | 92.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 110.9 | 163.4 | -57.2 | 176 | 0 | 0 | 0 | 108.1 | L493 T494 G499 W515 I516 L518 I523 L526 L536 A538 Y548 | L493-I501 HydrophobicContact CD2-CG2 4.24Å; T494-I501 WeakPolarHBondContact O-CA 3.28Å; G499-I501 PolarHBondContact O-N 2.78Å; I501-W515 CarbonylContact O-C 3.59Å; I501-W515 WeakPolarHBondContact O-CA 3.18Å; I501-I516 HydrophobicContact CB-CB 4.34Å; I501-I516 PolarHBondContact N-O 2.93Å; I501-I516 PolarHBondContact O-N 2Å; I501-L518 HydrophobicContact CD1-CD1 3.53Å; I501-L518 HydrophobicContact CD1-CG 4.47Å; I501-L518 HydrophobicContact CG1-CD1 4.11Å; I501-I523 HydrophobicContact CG1-CD1 4.47Å; I501-I523 HydrophobicContact CG1-CG1 4.03Å; I501-I523 HydrophobicContact CG1-CG2 4.41Å; I501-L526 HydrophobicContact CD1-CD2 4.01Å; I501-L526 HydrophobicContact CG1-CD2 4.29Å; I501-L526 HydrophobicContact CG2-CD1 4.47Å; I501-L526 HydrophobicContact CG2-CD2 4.24Å; I501-L536 HydrophobicContact CD1-CD1 4.43Å; I501-L536 HydrophobicContact CG2-CD1 4.48Å; I501-A538 HydrophobicContact CD1-CB 3.55Å; I501-Y548 HydrophobicContact CD1-CD2 4.47Å; I501-Y548 HydrophobicContact CD1-CE2 4Å |
| 502 | K | 93 | Very high | 89.2 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.6 | 179.2 | -58.6 | -170.8 | 177.6 | 152.8 | 0 | 111.9 | A473 L493 T494 E500 W504 E512 W515 | A473-K502 VanDerWaalsContact O-CD 3.27Å; A473-K502 WeakPolarHBondContact O-CD 3.29Å; A473-K502 WeakPolarHBondContact O-CE 3.29Å; A473-K502 PolarHBondContact O-NZ 2.81Å; L493-K502 CarbonylContact C-O 3.49Å; L493-K502 VanDerWaalsContact CA-O 3.3Å; L493-K502 WeakPolarHBondContact CA-O 3.38Å; T494-K502 PolarHBondContact N-O 2.96Å; T494-K502 PolarHBondContact O-N 2.92Å; E500-K502 VanDerWaalsContact CD-CE 3.48Å; E500-K502 WeakPolarHBondContact OE1-CE 3.26Å; E500-K502 IonicContact OE1-NZ 3.77Å; E500-K502 PolarHBondContact OE1-NZ 3.23Å; E500-K502 WeakPolarHBondContact OE2-CE 3.18Å; E500-K502 IonicContact OE2-NZ 2.68Å; E500-K502 PolarHBondContact OE2-NZ 2.9Å; K502-W504 HydrophobicContact CB-CZ2 4.02Å; K502-W504 HydrophobicContact CD-CZ2 3.85Å; K502-E512 HydrophobicContact CB-CB 4.4Å; K502-E512 HydrophobicContact CD-CG 4.44Å; K502-W515 HydrophobicContact CB-CB 4.38Å; K502-W515 HydrophobicContact CG-CB 3.76Å |
| 503 | L | 93.8 | Very high | 88.7 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.7 | 173.9 | 175.9 | 64.4 | 0 | 0 | 0 | 109.7 | F491 L493 V513 H514 W528 V550 | F491-L503 HydrophobicContact CB-CD1 4.01Å; F491-L503 HydrophobicContact CD1-CD1 4.1Å; F491-L503 HydrophobicContact CD1-CG 4.49Å; F491-L503 HydrophobicContact CG-CD1 4.23Å; L493-L503 HydrophobicContact CD2-CB 4.11Å; L493-L503 HydrophobicContact CD2-CD1 3.89Å; L503-V513 HydrophobicContact CD2-CB 4.22Å; L503-V513 HydrophobicContact CD2-CG1 4.16Å; L503-V513 HydrophobicContact CG-CB 4.14Å; L503-V513 WeakPolarHBondContact O-CB 3.34Å; L503-V513 PolarHBondContact O-N 2.82Å; L503-H514 HydrophobicContact CB-CB 4.37Å; L503-H514 WeakPolarHBondContact CB-O 3.12Å; L503-H514 HydrophobicContact CD2-CB 4.43Å; L503-H514 PolarHBondContact N-O 3.23Å; L503-W528 HydrophobicContact CD1-CH2 3.83Å; L503-W528 HydrophobicContact CD1-CZ2 3.96Å; L503-V550 HydrophobicContact CD2-CB 4.45Å; L503-V550 HydrophobicContact CD2-CG2 4.2Å |
| 504 | W | 94.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140 | -178.1 | -57.4 | 90.1 | 0 | 0 | 0 | 111.3 | L455 V471 A473 F491 V492 T494 K502 E512 | L455-W504 HydrophobicContact CD2-CB 4.44Å; L455-W504 HydrophobicContact CD2-CD2 4.02Å; L455-W504 HydrophobicContact CD2-CG 3.78Å; V471-W504 HydrophobicContact CG1-CE3 4.22Å; V471-W504 HydrophobicContact CG1-CH2 3.67Å; V471-W504 HydrophobicContact CG1-CZ3 3.45Å; V471-W504 VanDerWaalsContact CG1-CZ3 3.45Å; A473-W504 HydrophobicContact CB-CZ2 3.7Å; F491-W504 WeakPolarHBondContact CA-O 3.44Å; V492-W504 HydrophobicContact CB-CB 4.4Å; V492-W504 PolarHBondContact N-O 3.23Å; V492-W504 VanDerWaalsContact N-O 3.1Å; V492-W504 PolarHBondContact O-N 3.21Å; T494-W504 PolarHBondContact OG1-NE1 3.26Å; K502-W504 HydrophobicContact CB-CZ2 4.02Å; K502-W504 HydrophobicContact CD-CZ2 3.85Å; W504-E512 HydrophobicContact CD2-CB 4.37Å; W504-E512 HydrophobicContact CE3-CB 4.15Å; W504-E512 HydrophobicContact CH2-CB 4.1Å; W504-E512 HydrophobicContact CZ2-CB 4.3Å; W504-E512 HydrophobicContact CZ3-CB 4.01Å |
| 505 | D | 93.3 | Very high | 87.7 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.3 | 165.2 | -173.1 | -28.2 | 0 | 0 | 0 | 108.8 | Y490 F491 R507 K508 V513 | Y490-D505 CarbonylContact O-C 3.49Å; Y490-D505 VanDerWaalsContact O-CA 3.29Å; Y490-D505 WeakPolarHBondContact O-CA 3.17Å; F491-D505 HydrophobicContact CE1-CB 4.48Å; D505-R507 PolarHBondContact O-N 3.47Å; D505-R507 VanDerWaalsContact OD1-CB 3.22Å; D505-R507 WeakPolarHBondContact OD1-CB 3.5Å; D505-R507 WeakPolarHBondContact OD1-CG 3.43Å; D505-R507 IonicContact OD1-CZ 2.93Å; D505-R507 PolarHBondContact OD1-N 3.21Å; D505-R507 IonicContact OD1-NE 3.15Å; D505-R507 PolarHBondContact OD1-NE 2.77Å; D505-R507 IonicContact OD1-NH2 3.31Å; D505-R507 IonicContact OD2-CZ 3.53Å; D505-R507 IonicContact OD2-NE 2.98Å; D505-R507 PolarHBondContact OD2-NE 2.97Å; D505-R507 IonicContact OD2-NH2 3.9Å; D505-R507 PolarHBondContact OD2-NH2 2.9Å; D505-K508 CarbonylContact O-C 3.55Å; D505-K508 VanDerWaalsContact O-C 3.22Å; D505-K508 PolarHBondContact O-N 3.31Å; D505-V513 HydrophobicContact CB-CG2 3.49Å; D505-V513 VanDerWaalsContact CB-CG2 3.49Å |
| 506 | T | 92.2 | Very high | 87.3 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.4 | -177.9 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | F457 Y490 V492 | F457-T506 HydrophobicContact CD1-CG2 4.43Å; F457-T506 HydrophobicContact CE1-CG2 3.73Å; F457-T506 HydrophobicContact CZ-CG2 4.08Å; Y490-T506 WeakPolarHBondContact CA-OG1 3.24Å; Y490-T506 PolarHBondContact O-N 2.77Å; V492-T506 HydrophobicContact CG2-CG2 3.86Å |
| 507 | R | 90.7 | Very high | 86.7 | Confident | 161 Ų | 161 | 54.8 Ų | 54.8 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -23.4 | 175 | -54.9 | 170.4 | -67.2 | 177.1 | 4.4 | 112.6 | Y490 D505 | Y490-R507 HydrophobicContact CD1-CG 3.51Å; Y490-R507 HydrophobicContact CE1-CG 3.85Å; Y490-R507 HydrophobicContact CG-CG 4.13Å; D505-R507 PolarHBondContact O-N 3.47Å; D505-R507 VanDerWaalsContact OD1-CB 3.22Å; D505-R507 WeakPolarHBondContact OD1-CB 3.5Å; D505-R507 WeakPolarHBondContact OD1-CG 3.43Å; D505-R507 IonicContact OD1-CZ 2.93Å; D505-R507 PolarHBondContact OD1-N 3.21Å; D505-R507 IonicContact OD1-NE 3.15Å; D505-R507 PolarHBondContact OD1-NE 2.77Å; D505-R507 IonicContact OD1-NH2 3.31Å; D505-R507 IonicContact OD2-CZ 3.53Å; D505-R507 IonicContact OD2-NE 2.98Å; D505-R507 PolarHBondContact OD2-NE 2.97Å; D505-R507 IonicContact OD2-NH2 3.9Å; D505-R507 PolarHBondContact OD2-NH2 2.9Å |
| 508 | K | 88.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 55.5 Ų | 55.5 | 50% | 0.496 | 26% | 0.257 | S | S | . | . | trans | -136.5 | 80.2 | -179.9 | -170.1 | -162.8 | 172.7 | -154 | 0 | 109.3 | D505 Q510 E511 | D505-K508 CarbonylContact O-C 3.55Å; D505-K508 VanDerWaalsContact O-C 3.22Å; D505-K508 PolarHBondContact O-N 3.31Å; K508-Q510 VanDerWaalsContact C-N 3.3Å; K508-Q510 PolarHBondContact O-N 3.26Å; K508-E511 IonicContact NZ-OE2 3.33Å; K508-E511 PolarHBondContact NZ-OE2 3.29Å | ||
| 509 | L | 89.2 | Confident | 85.7 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.1 | -177 | -73.8 | 178.8 | 0 | 0 | 0 | 114.9 | F457 V471 E511 | F457-L509 HydrophobicContact CD2-CD1 3.8Å; F457-L509 HydrophobicContact CD2-CD2 4.42Å; F457-L509 HydrophobicContact CE2-CD1 3.83Å; F457-L509 HydrophobicContact CE2-CD2 3.6Å; F457-L509 HydrophobicContact CE2-CG 4.39Å; F457-L509 HydrophobicContact CZ-CD2 4.01Å; V471-L509 HydrophobicContact CG2-CB 3.77Å; V471-L509 HydrophobicContact CG2-CD1 4.26Å; V471-L509 HydrophobicContact CG2-CD2 4.22Å; V471-L509 HydrophobicContact CG2-CG 4.3Å; L509-E511 VanDerWaalsContact C-N 3.31Å |
| 510 | Q | 82.2 | Confident | 84.8 | Confident | 174 Ų | 174 | 57.2 Ų | 57.2 | 81% | 0.813 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -26.9 | 179.7 | -62.9 | -62.5 | -39.2 | 0 | 0 | 112.5 | K508 | K508-Q510 VanDerWaalsContact C-N 3.3Å; K508-Q510 PolarHBondContact O-N 3.26Å |
| 511 | E | 82.1 | Confident | 84.1 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -147 | 148.8 | -179.2 | -66.5 | 171.5 | 152.7 | 0 | 0 | 108.3 | K508 L509 | K508-E511 IonicContact NZ-OE2 3.33Å; K508-E511 PolarHBondContact NZ-OE2 3.29Å; L509-E511 VanDerWaalsContact C-N 3.31Å |
| 512 | E | 85.6 | Confident | 83.6 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | trans | -64.6 | 146.8 | 167.4 | 69.3 | -75 | 178.5 | 0 | 0 | 111.4 | K502 W504 W515 | K502-E512 HydrophobicContact CB-CB 4.4Å; K502-E512 HydrophobicContact CD-CG 4.44Å; W504-E512 HydrophobicContact CD2-CB 4.37Å; W504-E512 HydrophobicContact CE3-CB 4.15Å; W504-E512 HydrophobicContact CH2-CB 4.1Å; W504-E512 HydrophobicContact CZ2-CB 4.3Å; W504-E512 HydrophobicContact CZ3-CB 4.01Å; E512-W515 HydrophobicContact CG-CB 4.34Å | ||
| 513 | V | 86.7 | Confident | 83.5 | Confident | 79 Ų | 79 | 58 Ų | 58 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -70 | -40.6 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | L503 D505 | L503-V513 HydrophobicContact CD2-CB 4.22Å; L503-V513 HydrophobicContact CD2-CG1 4.16Å; L503-V513 HydrophobicContact CG-CB 4.14Å; L503-V513 WeakPolarHBondContact O-CB 3.34Å; L503-V513 PolarHBondContact O-N 2.82Å; D505-V513 HydrophobicContact CB-CG2 3.49Å; D505-V513 VanDerWaalsContact CB-CG2 3.49Å |
| 514 | H | 86.7 | Confident | 83.3 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 155.5 | -176.2 | -175.7 | 63.9 | 0 | 0 | 0 | 108.6 | L503 E567 | L503-H514 HydrophobicContact CB-CB 4.37Å; L503-H514 WeakPolarHBondContact CB-O 3.12Å; L503-H514 HydrophobicContact CD2-CB 4.43Å; L503-H514 PolarHBondContact N-O 3.23Å; H514-E567 IonicContact CE1-OE1 3.28Å; H514-E567 PolarHBondContact CE1-OE1 3.36Å; H514-E567 IonicContact NE2-OE1 2.98Å; H514-E567 PolarHBondContact NE2-OE1 3.11Å |
| 515 | W | 85.6 | Confident | 83.3 | Confident | 110 Ų | 110 | 61.4 Ų | 61.4 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.6 | 171.7 | 66.6 | -84.4 | 0 | 0 | 0 | 110 | I501 K502 E512 D517 | I501-W515 CarbonylContact O-C 3.59Å; I501-W515 WeakPolarHBondContact O-CA 3.18Å; K502-W515 HydrophobicContact CB-CB 4.38Å; K502-W515 HydrophobicContact CG-CB 3.76Å; E512-W515 HydrophobicContact CG-CB 4.34Å; W515-D517 HydrophobicContact CE3-CB 4.07Å; W515-D517 HydrophobicContact CH2-CB 4.04Å; W515-D517 HydrophobicContact CZ3-CB 3.38Å |
| 516 | I | 86.2 | Confident | 83.4 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.7 | 176.5 | -57.8 | 170.3 | 0 | 0 | 0 | 106.4 | I501 L518 Y548 I565 E567 | I501-I516 HydrophobicContact CB-CB 4.34Å; I501-I516 PolarHBondContact N-O 2.93Å; I501-I516 PolarHBondContact O-N 2Å; I516-L518 HydrophobicContact CG2-CD2 3.69Å; I516-L518 HydrophobicContact CG2-CG 4.2Å; I516-Y548 HydrophobicContact CD1-CD1 3.91Å; I516-Y548 HydrophobicContact CD1-CG 3.88Å; I516-Y548 HydrophobicContact CG2-CD1 4.41Å; I516-Y548 HydrophobicContact CG2-CE1 4.15Å; I516-I565 HydrophobicContact CG2-CD1 4.41Å; I516-I565 HydrophobicContact CG2-CG2 4.01Å; I516-E567 HydrophobicContact CD1-CB 4.21Å |
| 517 | D | 79.5 | Confident | 83.6 | Confident | 77 Ų | 77 | 60 Ų | 60 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.3 | 169.9 | -159.8 | -22.9 | 0 | 0 | 0 | 109.6 | W515 G519 I565 | W515-D517 HydrophobicContact CE3-CB 4.07Å; W515-D517 HydrophobicContact CH2-CB 4.04Å; W515-D517 HydrophobicContact CZ3-CB 3.38Å; D517-G519 WeakPolarHBondContact OD1-CA 3.48Å; D517-G519 PolarHBondContact OD1-N 2.77Å; D517-I565 VanDerWaalsContact O-CD1 3.32Å; D517-I565 WeakPolarHBondContact O-CD1 3.23Å |
| 518 | L | 70.1 | Confident | 83.9 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | trans | -106 | 6.3 | 174 | -58.5 | 179.3 | 0 | 0 | 0 | 112.8 | G499 I501 I516 R521 I523 Y548 I565 | G499-L518 WeakPolarHBondContact O-CB 3.14Å; G499-L518 PolarHBondContact O-N 3.05Å; G499-L518 VanDerWaalsContact O-N 3.12Å; I501-L518 HydrophobicContact CD1-CD1 3.53Å; I501-L518 HydrophobicContact CD1-CG 4.47Å; I501-L518 HydrophobicContact CG1-CD1 4.11Å; I516-L518 HydrophobicContact CG2-CD2 3.69Å; I516-L518 HydrophobicContact CG2-CG 4.2Å; L518-R521 HydrophobicContact CB-CB 4.5Å; L518-R521 WeakPolarHBondContact O-CD 3.48Å; L518-I523 HydrophobicContact CD1-CD1 3.63Å; L518-Y548 HydrophobicContact CD1-CE2 4.31Å; L518-Y548 VanDerWaalsContact CD1-OH 3.23Å; L518-Y548 WeakPolarHBondContact CD1-OH 3.33Å; L518-Y548 HydrophobicContact CD2-CE1 3.85Å; L518-Y548 WeakPolarHBondContact CD2-OH 3.18Å; L518-I565 HydrophobicContact CD2-CD1 3.76Å | ||
| 519 | G | 62.6 | Low | 84.2 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 61.3 | -152.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y498 G499 D517 R521 | Y498-G519 CarbonylContact C-O 3.58Å; Y498-G519 VanDerWaalsContact C-O 3.28Å; G499-G519 WeakPolarHBondContact CA-O 2.98Å; G499-G519 PolarHBondContact N-O 3Å; D517-G519 WeakPolarHBondContact OD1-CA 3.48Å; D517-G519 PolarHBondContact OD1-N 2.77Å; G519-R521 VanDerWaalsContact C-N 3.26Å; G519-R521 PolarHBondContact O-N 3.06Å |
| 520 | R | 60 | Low | 84.4 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -74.4 | 66 | -168.3 | -58.8 | -169.1 | -168.7 | 162.8 | -6 | 116 | V25 E26 E27 R66 | V25-R520 PolarHBondContact O-NH1 2.83Å; V25-R520 PolarHBondContact O-NH2 2.86Å; E26-R520 VanDerWaalsContact CA-CZ 3.4Å; E26-R520 VanDerWaalsContact CA-NH2 3.26Å; E26-R520 IonicContact OE1-CZ 2.83Å; E26-R520 IonicContact OE1-NE 2.93Å; E26-R520 IonicContact OE1-NH2 3.82Å; E26-R520 PolarHBondContact OE1-NH2 3.04Å; E27-R520 HydrophobicContact CG-CG 3.95Å; E27-R520 WeakPolarHBondContact OE1-CA 3.26Å; E27-R520 PolarHBondContact OE1-N 3.25Å; R66-R520 VanDerWaalsContact CB-NH1 3.28Å |
| 521 | R | 71.6 | Confident | 84.8 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | trans | -133.7 | 103.5 | -175.5 | -69.4 | 179.5 | 174.3 | -161.9 | -6.8 | 108.9 | G499 L518 G519 I523 D540 T541 D542 E544 | G499-R521 WeakPolarHBondContact CA-O 3.35Å; G499-R521 PolarHBondContact N-O 3.16Å; L518-R521 HydrophobicContact CB-CB 4.5Å; L518-R521 WeakPolarHBondContact O-CD 3.48Å; G519-R521 VanDerWaalsContact C-N 3.26Å; G519-R521 PolarHBondContact O-N 3.06Å; R521-I523 WeakPolarHBondContact O-CD1 3.05Å; R521-I523 PolarHBondContact O-N 3.22Å; R521-D540 HydrophobicContact CB-CB 4.05Å; R521-D540 IonicContact NH1-OD2 3.81Å; R521-T541 WeakPolarHBondContact CA-OG1 3.4Å; R521-D542 IonicContact CZ-OD2 3.7Å; R521-D542 IonicContact NE-OD2 3.29Å; R521-D542 PolarHBondContact NE-OD2 2.95Å; R521-D542 IonicContact NH2-OD2 3.95Å; R521-D542 PolarHBondContact NH2-OD2 2.88Å; R521-E544 IonicContact CZ-OE2 2.63Å; R521-E544 IonicContact NH1-OE2 3.7Å; R521-E544 PolarHBondContact NH1-OE2 2.92Å; R521-E544 IonicContact NH2-OE1 2.77Å; R521-E544 IonicContact NH2-OE2 3.44Å; R521-E544 PolarHBondContact NH2-OE2 3.29Å; R521-E544 VanDerWaalsContact NH2-OE2 3.17Å | ||
| 522 | D | 82.5 | Confident | 85.3 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 20% | 0.203 | 22% | 0.219 | C | C | . | . | trans | -64.7 | 131 | 177.5 | -69.8 | -7.9 | 0 | 0 | 0 | 109.8 | S497 Y498 Y524 D540 T541 | S497-D522 VanDerWaalsContact CA-OD1 3.23Å; S497-D522 WeakPolarHBondContact CA-OD1 3.45Å; S497-D522 WeakPolarHBondContact CB-OD1 3.47Å; Y498-D522 PolarHBondContact N-OD1 3.05Å; Y498-D522 VanDerWaalsContact N-OD1 3.12Å; D522-Y524 HydrophobicContact CB-CE1 4.1Å; D522-Y524 PolarHBondContact O-N 3.28Å; D522-D540 WeakPolarHBondContact O-CA 3.27Å; D522-T541 HydrophobicContact CB-CG2 3.72Å; D522-T541 PolarHBondContact N-OG1 3.47Å; D522-T541 PolarHBondContact O-N 2.71Å | ||
| 523 | I | 90.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 93.2 | -177.6 | -51.9 | -56 | 0 | 0 | 0 | 109.7 | S480 S481 A496 I501 L518 R521 L526 A538 D540 | S480-I523 WeakPolarHBondContact CB-O 3.45Å; S481-I523 PolarHBondContact OG-O 2.75Å; A496-I523 PolarHBondContact O-N 3.12Å; I501-I523 HydrophobicContact CG1-CD1 4.47Å; I501-I523 HydrophobicContact CG1-CG1 4.03Å; I501-I523 HydrophobicContact CG1-CG2 4.41Å; L518-I523 HydrophobicContact CD1-CD1 3.63Å; R521-I523 WeakPolarHBondContact O-CD1 3.05Å; R521-I523 PolarHBondContact O-N 3.22Å; I523-L526 HydrophobicContact CG2-CD1 4.35Å; I523-L526 HydrophobicContact CG2-CD2 3.79Å; I523-L526 HydrophobicContact CG2-CG 3.77Å; I523-A538 HydrophobicContact CG2-CB 4.23Å; I523-D540 HydrophobicContact CD1-CB 3.88Å |
| 524 | Y | 89.3 | Confident | 85.6 | Confident | 80 Ų | 80 | 39.3 Ų | 39.3 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -28.5 | -178.8 | -66.7 | -45.1 | 0 | 0 | 0 | 113.9 | D522 G539 T541 E578 | D522-Y524 HydrophobicContact CB-CE1 4.1Å; D522-Y524 PolarHBondContact O-N 3.28Å; Y524-G539 PolarHBondContact N-O 2.92Å; Y524-T541 HydrophobicContact CD2-CG2 4.34Å; Y524-T541 HydrophobicContact CE2-CG2 3.47Å; Y524-T541 VanDerWaalsContact CE2-CG2 3.47Å; Y524-T541 WeakPolarHBondContact OH-CG2 3.48Å; Y524-E578 HydrophobicContact CE2-CB 4.26Å; Y524-E578 HydrophobicContact CE2-CG 4.45Å |
| 525 | T | 94.5 | Very high | 86 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 139.8 | -175.6 | -170 | 0 | 0 | 0 | 0 | 112.6 | A538 G539 I579 D581 I582 | T525-A538 WeakPolarHBondContact O-CA 3.41Å; T525-G539 PolarHBondContact O-N 2.98Å; T525-I579 HydrophobicContact CG2-CG2 4.09Å; T525-D581 PolarHBondContact OG1-OD1 2.88Å; T525-I582 HydrophobicContact CG2-CB 4.3Å; T525-I582 HydrophobicContact CG2-CD1 4.2Å; T525-I582 HydrophobicContact CG2-CG1 3.79Å; T525-I582 HydrophobicContact CG2-CG2 3.94Å |
| 526 | L | 95.4 | Very high | 86.5 | Confident | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.3 | 178.6 | -74.4 | 173.8 | 0 | 0 | 0 | 110.3 | A483 L493 T494 G495 I501 I523 L536 A537 A538 | A483-L526 HydrophobicContact CB-CB 4.26Å; L493-L526 HydrophobicContact CB-CD1 4.05Å; T494-L526 VanDerWaalsContact C-CD1 3.43Å; G495-L526 VanDerWaalsContact CA-CD1 3.43Å; I501-L526 HydrophobicContact CD1-CD2 4.01Å; I501-L526 HydrophobicContact CG1-CD2 4.29Å; I501-L526 HydrophobicContact CG2-CD1 4.47Å; I501-L526 HydrophobicContact CG2-CD2 4.24Å; I523-L526 HydrophobicContact CG2-CD1 4.35Å; I523-L526 HydrophobicContact CG2-CD2 3.79Å; I523-L526 HydrophobicContact CG2-CG 3.77Å; L526-L536 HydrophobicContact CD2-CD1 4.19Å; L526-A537 WeakPolarHBondContact CA-O 3.43Å; L526-A538 HydrophobicContact CD2-CB 3.63Å |
| 527 | A | 96.5 | Very high | 86.9 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 127.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A537 I582 W584 | A527-A537 PolarHBondContact N-O 2.88Å; A527-A537 PolarHBondContact O-N 3.38Å; A527-I582 HydrophobicContact CB-CD1 3.9Å; A527-I582 HydrophobicContact CB-CG1 3.96Å; A527-W584 PolarHBondContact O-NE1 3.49Å |
| 528 | W | 96.8 | Very high | 87.7 | Confident | 15 Ų | 15 | 29 Ų | 29 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.6 | 169.7 | -69.9 | 101.5 | 0 | 0 | 0 | 111.4 | A483 N485 P486 F491 L493 L503 P530 E533 L536 | A483-W528 PolarHBondContact O-NE1 3.46Å; N485-W528 HydrophobicContact CB-CD2 4.25Å; N485-W528 HydrophobicContact CB-CZ2 4.02Å; N485-W528 WeakPolarHBondContact ND2-CZ3 3.49Å; P486-W528 HydrophobicContact CG-CB 4.14Å; F491-W528 HydrophobicContact CB-CH2 4.5Å; F491-W528 HydrophobicContact CB-CZ2 4.2Å; L493-W528 HydrophobicContact CD1-CD2 3.76Å; L493-W528 HydrophobicContact CD1-CE3 4.21Å; L493-W528 HydrophobicContact CD1-CG 4.35Å; L493-W528 HydrophobicContact CD1-CH2 3.98Å; L493-W528 HydrophobicContact CD1-CZ2 3.52Å; L493-W528 HydrophobicContact CD1-CZ3 4.29Å; L493-W528 HydrophobicContact CD2-CH2 4.12Å; L493-W528 HydrophobicContact CD2-CZ2 3.92Å; L493-W528 HydrophobicContact CG-CD2 4.47Å; L493-W528 HydrophobicContact CG-CH2 3.97Å; L493-W528 HydrophobicContact CG-CZ2 3.33Å; L503-W528 HydrophobicContact CD1-CH2 3.83Å; L503-W528 HydrophobicContact CD1-CZ2 3.96Å; W528-P530 VanDerWaalsContact O-CD 3.3Å; W528-P530 WeakPolarHBondContact O-CD 3.36Å; W528-E533 VanDerWaalsContact CZ3-O 3.24Å; W528-E533 WeakPolarHBondContact CZ3-O 3.31Å; W528-L536 HydrophobicContact CE3-CB 4.25Å |
| 529 | C | 95.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | trans | -69.9 | 119.7 | 172.8 | -174 | 0 | 0 | 0 | 0 | 110.1 | A531 K532 V535 W584 | C529-A531 PolarHBondContact O-N 2.94Å; C529-A531 VanDerWaalsContact O-N 3.17Å; C529-K532 CarbonylContact O-C 3.48Å; C529-K532 PolarHBondContact O-N 3.05Å; C529-K532 VanDerWaalsContact O-O 3.07Å; C529-V535 HydrophobicContact CB-CB 3.71Å; C529-V535 HydrophobicContact CB-CG1 3.73Å; C529-V535 VanDerWaalsContact CB-O 3.28Å; C529-V535 WeakPolarHBondContact CB-O 2.99Å; C529-V535 PolarHBondContact N-O 2.88Å; C529-W584 HydrophobicContact CB-CD2 4.47Å; C529-W584 HydrophobicContact CB-CH2 4.41Å; C529-W584 HydrophobicContact CB-CZ2 4.01Å | ||
| 530 | P | 93 | Very high | 89.8 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 33% | 0.331 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.3 | 179.4 | -22.5 | 33.9 | 0 | 0 | 0 | 113.8 | W528 W584 K586 | W528-P530 VanDerWaalsContact O-CD 3.3Å; W528-P530 WeakPolarHBondContact O-CD 3.36Å; P530-W584 HydrophobicContact CG-CB 3.73Å; P530-W584 HydrophobicContact CG-CG 4.41Å; P530-K586 HydrophobicContact CG-CG 4.33Å |
| 531 | A | 90.2 | Very high | 90.7 | Very high | 46 Ų | 46 | 25.7 Ų | 25.7 | 38% | 0.38 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -18.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C529 P589 | C529-A531 PolarHBondContact O-N 2.94Å; C529-A531 VanDerWaalsContact O-N 3.17Å; A531-P589 HydrophobicContact CB-CB 4.01Å |
| 532 | K | 92.8 | Very high | 90.6 | Very high | 115 Ų | 115 | 28.1 Ų | 28.1 | 50% | 0.5 | 15% | 0.151 | S | C | . | . | trans | -147.1 | 115.8 | -174.8 | -70 | -65.3 | -174.6 | 173.3 | 0 | 110.5 | C529 G534 V535 W590 | C529-K532 CarbonylContact O-C 3.48Å; C529-K532 PolarHBondContact O-N 3.05Å; C529-K532 VanDerWaalsContact O-O 3.07Å; K532-G534 VanDerWaalsContact C-N 3.3Å; K532-G534 PolarHBondContact O-N 2.83Å; K532-V535 HydrophobicContact CB-CB 3.92Å; K532-V535 HydrophobicContact CB-CG2 3.61Å; K532-V535 HydrophobicContact CG-CG2 4.31Å; K532-V535 PolarHBondContact O-N 3.48Å; K532-V535 VanDerWaalsContact O-N 3.1Å; K532-W590 HydrophobicContact CG-CH2 4.27Å; K532-W590 HydrophobicContact CG-CZ2 3.71Å | ||
| 533 | E | 89.2 | Confident | 90.1 | Very high | 71 Ų | 71 | 26.8 Ų | 26.8 | 33% | 0.332 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -38.5 | -175.1 | -178.6 | -167.4 | -163.2 | 0 | 0 | 114.8 | N485 N488 W528 K551 | N485-E533 PolarHBondContact ND2-O 3.22Å; N488-E533 PolarHBondContact ND2-OE1 2.91Å; W528-E533 VanDerWaalsContact CZ3-O 3.24Å; W528-E533 WeakPolarHBondContact CZ3-O 3.31Å; E533-K551 IonicContact OE2-NZ 3.75Å; E533-K551 PolarHBondContact OE2-NZ 3Å; E533-K551 VanDerWaalsContact OE2-NZ 3.16Å |
| 534 | G | 89.5 | Confident | 89.7 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -1.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K532 D549 V550 | K532-G534 VanDerWaalsContact C-N 3.3Å; K532-G534 PolarHBondContact O-N 2.83Å; G534-D549 WeakPolarHBondContact O-CA 3.35Å; G534-V550 WeakPolarHBondContact O-CG2 3.41Å; G534-V550 PolarHBondContact O-N 3.49Å |
| 535 | V | 94.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.1 | -174.9 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | C529 K532 I547 Y548 D549 L569 W590 | C529-V535 HydrophobicContact CB-CB 3.71Å; C529-V535 HydrophobicContact CB-CG1 3.73Å; C529-V535 VanDerWaalsContact CB-O 3.28Å; C529-V535 WeakPolarHBondContact CB-O 2.99Å; C529-V535 PolarHBondContact N-O 2.88Å; K532-V535 HydrophobicContact CB-CB 3.92Å; K532-V535 HydrophobicContact CB-CG2 3.61Å; K532-V535 HydrophobicContact CG-CG2 4.31Å; K532-V535 PolarHBondContact O-N 3.48Å; K532-V535 VanDerWaalsContact O-N 3.1Å; V535-I547 HydrophobicContact CG1-CG2 3.57Å; V535-Y548 CarbonylContact C-O 3.57Å; V535-Y548 VanDerWaalsContact CA-O 3.25Å; V535-Y548 WeakPolarHBondContact CA-O 3.25Å; V535-D549 HydrophobicContact CG2-CB 4.12Å; V535-L569 HydrophobicContact CG1-CD1 4.34Å; V535-L569 HydrophobicContact CG2-CD1 4.17Å; V535-W590 HydrophobicContact CG1-CH2 4.17Å; V535-W590 HydrophobicContact CG1-CZ3 3.97Å; V535-W590 HydrophobicContact CG2-CH2 4.11Å |
| 536 | L | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.3 | 175.9 | 70.4 | 99.3 | 0 | 0 | 0 | 110.5 | L493 I501 L526 W528 I547 Y548 V550 | L493-L536 HydrophobicContact CD1-CB 3.73Å; L493-L536 HydrophobicContact CD1-CD1 4.37Å; L493-L536 HydrophobicContact CD1-CD2 3.66Å; L493-L536 HydrophobicContact CD1-CG 4.12Å; L493-L536 HydrophobicContact CD2-CD2 3.88Å; L493-L536 HydrophobicContact CG-CD2 4.44Å; I501-L536 HydrophobicContact CD1-CD1 4.43Å; I501-L536 HydrophobicContact CG2-CD1 4.48Å; L526-L536 HydrophobicContact CD2-CD1 4.19Å; W528-L536 HydrophobicContact CE3-CB 4.25Å; L536-I547 CarbonylContact O-C 3.58Å; L536-I547 WeakPolarHBondContact O-CA 3.11Å; L536-Y548 HydrophobicContact CD1-CD2 3.67Å; L536-Y548 HydrophobicContact CD1-CG 4.43Å; L536-Y548 HydrophobicContact CG-CD2 4.36Å; L536-Y548 PolarHBondContact N-O 2.71Å; L536-Y548 PolarHBondContact O-N 3.26Å; L536-V550 HydrophobicContact CD2-CG1 3.62Å |
| 537 | A | 96.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | L526 A527 V545 T546 I547 I582 W584 M592 | L526-A537 WeakPolarHBondContact CA-O 3.43Å; A527-A537 PolarHBondContact N-O 2.88Å; A527-A537 PolarHBondContact O-N 3.38Å; A537-V545 HydrophobicContact CB-CG1 4.47Å; A537-T546 CarbonylContact C-O 3.57Å; A537-T546 VanDerWaalsContact CA-O 3.3Å; A537-T546 WeakPolarHBondContact CA-O 3.48Å; A537-I547 HydrophobicContact CB-CG1 4.36Å; A537-I582 HydrophobicContact CB-CD1 3.77Å; A537-I582 WeakPolarHBondContact O-CD1 3.22Å; A537-W584 HydrophobicContact CB-CZ2 3.63Å; A537-M592 HydrophobicContact CB-CE 4.23Å; A537-M592 HydrophobicContact CB-SD 3.67Å |
| 538 | A | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I501 I523 T525 L526 V545 T546 Y548 | I501-A538 HydrophobicContact CD1-CB 3.55Å; I523-A538 HydrophobicContact CG2-CB 4.23Å; T525-A538 WeakPolarHBondContact O-CA 3.41Å; L526-A538 HydrophobicContact CD2-CB 3.63Å; A538-V545 CarbonylContact O-C 3.47Å; A538-V545 WeakPolarHBondContact O-CA 2.91Å; A538-T546 PolarHBondContact N-O 2.99Å; A538-T546 PolarHBondContact O-N 2.68Å; A538-Y548 HydrophobicContact CB-CE2 4.03Å |
| 539 | G | 92 | Very high | 89 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y524 T525 | Y524-G539 PolarHBondContact N-O 2.92Å; T525-G539 PolarHBondContact O-N 2.98Å |
| 540 | D | 85.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 179.9 | -172.4 | 66.2 | 35.9 | 0 | 0 | 0 | 114.2 | R521 D522 I523 D542 E544 I579 | R521-D540 HydrophobicContact CB-CB 4.05Å; R521-D540 IonicContact NH1-OD2 3.81Å; D522-D540 WeakPolarHBondContact O-CA 3.27Å; I523-D540 HydrophobicContact CD1-CB 3.88Å; D540-D542 VanDerWaalsContact C-N 3.32Å; D540-D542 PolarHBondContact O-N 2.96Å; D540-D542 PolarHBondContact OD1-N 3.26Å; D540-E544 PolarHBondContact N-O 2.83Å; D540-E544 PolarHBondContact OD1-N 3.34Å; D540-I579 PolarHBondContact O-N 3.31Å; D540-I579 VanDerWaalsContact O-N 3.11Å |
| 541 | T | 78.6 | Confident | 87.9 | Confident | 38 Ų | 38 | 27.2 Ų | 27.2 | 23% | 0.233 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.2 | 178.8 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | R521 D522 Y524 A543 | R521-T541 WeakPolarHBondContact CA-OG1 3.4Å; D522-T541 HydrophobicContact CB-CG2 3.72Å; D522-T541 PolarHBondContact N-OG1 3.47Å; D522-T541 PolarHBondContact O-N 2.71Å; Y524-T541 HydrophobicContact CD2-CG2 4.34Å; Y524-T541 HydrophobicContact CE2-CG2 3.47Å; Y524-T541 VanDerWaalsContact CE2-CG2 3.47Å; Y524-T541 WeakPolarHBondContact OH-CG2 3.48Å; T541-A543 PolarHBondContact O-N 2.87Å; T541-A543 VanDerWaalsContact O-N 3.16Å |
| 542 | D | 70.1 | Confident | 87 | Confident | 87 Ų | 87 | 28.3 Ų | 28.3 | 47% | 0.465 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 11.7 | -176.3 | -91.2 | -1.1 | 0 | 0 | 0 | 112.8 | R521 D540 E544 | R521-D542 IonicContact CZ-OD2 3.7Å; R521-D542 IonicContact NE-OD2 3.29Å; R521-D542 PolarHBondContact NE-OD2 2.95Å; R521-D542 IonicContact NH2-OD2 3.95Å; R521-D542 PolarHBondContact NH2-OD2 2.88Å; D540-D542 VanDerWaalsContact C-N 3.32Å; D540-D542 PolarHBondContact O-N 2.96Å; D540-D542 PolarHBondContact OD1-N 3.26Å; D542-E544 HydrophobicContact CB-CG 4.21Å; D542-E544 PolarHBondContact O-N 2.97Å |
| 543 | A | 71.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 60.7 | 32.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T541 H575 G577 | T541-A543 PolarHBondContact O-N 2.87Å; T541-A543 VanDerWaalsContact O-N 3.16Å; A543-H575 HydrophobicContact CB-CB 3.91Å; A543-H575 WeakPolarHBondContact CB-O 3.16Å; A543-H575 WeakPolarHBondContact O-CB 3.3Å; A543-G577 VanDerWaalsContact CA-O 3.24Å; A543-G577 WeakPolarHBondContact CA-O 3.48Å; A543-G577 WeakPolarHBondContact CB-O 3.45Å |
| 544 | E | 81.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 26 Ų | 26 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | trans | -110.5 | 137.8 | 177.7 | -59.1 | -168.9 | 165.3 | 0 | 0 | 111.1 | R521 D540 D542 T571 H572 R573 I579 | R521-E544 IonicContact CZ-OE2 2.63Å; R521-E544 IonicContact NH1-OE2 3.7Å; R521-E544 PolarHBondContact NH1-OE2 2.92Å; R521-E544 IonicContact NH2-OE1 2.77Å; R521-E544 IonicContact NH2-OE2 3.44Å; R521-E544 PolarHBondContact NH2-OE2 3.29Å; R521-E544 VanDerWaalsContact NH2-OE2 3.17Å; D540-E544 PolarHBondContact N-O 2.83Å; D540-E544 PolarHBondContact OD1-N 3.34Å; D542-E544 HydrophobicContact CB-CG 4.21Å; D542-E544 PolarHBondContact O-N 2.97Å; E544-T571 HydrophobicContact CB-CG2 3.91Å; E544-T571 HydrophobicContact CG-CG2 4.2Å; E544-T571 WeakPolarHBondContact OE2-CG2 3.34Å; E544-H572 WeakPolarHBondContact CA-O 3.4Å; E544-R573 VanDerWaalsContact CD-NE 3.34Å; E544-R573 HydrophobicContact CG-CG 4.06Å; E544-R573 VanDerWaalsContact OE1-CD 3.23Å; E544-R573 WeakPolarHBondContact OE1-CD 3.48Å; E544-R573 WeakPolarHBondContact OE1-CG 3.35Å; E544-R573 IonicContact OE1-CZ 3.24Å; E544-R573 IonicContact OE1-NE 3.41Å; E544-R573 PolarHBondContact OE1-NE 2.74Å; E544-R573 IonicContact OE1-NH2 3.36Å; E544-R573 PolarHBondContact OE1-NH2 3.44Å; E544-R573 IonicContact OE2-CZ 3.66Å; E544-R573 IonicContact OE2-NE 3.43Å; E544-R573 PolarHBondContact OE2-NE 2.62Å; E544-R573 IonicContact OE2-NH2 3.16Å; E544-R573 PolarHBondContact OE2-NH2 3.34Å; E544-I579 WeakPolarHBondContact O-CG1 3.3Å | ||
| 545 | V | 90.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.8 | 163.3 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | A537 A538 H572 I579 I582 M592 | A537-V545 HydrophobicContact CB-CG1 4.47Å; A538-V545 CarbonylContact O-C 3.47Å; A538-V545 WeakPolarHBondContact O-CA 2.91Å; V545-H572 HydrophobicContact CB-CB 4.2Å; V545-H572 PolarHBondContact N-O 2.76Å; V545-H572 VanDerWaalsContact N-O 3.12Å; V545-H572 PolarHBondContact O-N 2.52Å; V545-I579 HydrophobicContact CG2-CD1 3.87Å; V545-I579 HydrophobicContact CG2-CG1 3.85Å; V545-I579 HydrophobicContact CG2-CG2 4.03Å; V545-I582 HydrophobicContact CG1-CG2 4.37Å; V545-I582 HydrophobicContact CG2-CG2 4.25Å; V545-M592 HydrophobicContact CG1-CE 3.61Å; V545-M592 HydrophobicContact CG1-SD 4.11Å |
| 546 | T | 90.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.4 | -178.8 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | A537 A538 Y548 K568 F570 T571 | A537-T546 CarbonylContact C-O 3.57Å; A537-T546 VanDerWaalsContact CA-O 3.3Å; A537-T546 WeakPolarHBondContact CA-O 3.48Å; A538-T546 PolarHBondContact N-O 2.99Å; A538-T546 PolarHBondContact O-N 2.68Å; T546-Y548 WeakPolarHBondContact CB-OH 2.87Å; T546-Y548 HydrophobicContact CG2-CD1 4.22Å; T546-Y548 HydrophobicContact CG2-CD2 4.23Å; T546-Y548 HydrophobicContact CG2-CE1 3.52Å; T546-Y548 HydrophobicContact CG2-CE2 3.57Å; T546-Y548 WeakPolarHBondContact CG2-OH 3.11Å; T546-K568 HydrophobicContact CG2-CD 4.08Å; T546-K568 HydrophobicContact CG2-CG 3.76Å; T546-F570 CarbonylContact C-O 3.56Å; T546-F570 WeakPolarHBondContact CA-O 3.46Å; T546-T571 VanDerWaalsContact CG2-OG1 3.26Å; T546-T571 WeakPolarHBondContact CG2-OG1 3.19Å; T546-T571 WeakPolarHBondContact OG1-CG2 3.38Å; T546-T571 PolarHBondContact OG1-OG1 2.58Å; T546-T571 VanDerWaalsContact OG1-OG1 3.08Å |
| 547 | I | 93.4 | Very high | 76.6 | Confident | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.087 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.9 | 176.6 | -57.2 | 173.6 | 0 | 0 | 0 | 108.3 | V535 L536 A537 L569 F570 W584 M592 | V535-I547 HydrophobicContact CG1-CG2 3.57Å; L536-I547 CarbonylContact O-C 3.58Å; L536-I547 WeakPolarHBondContact O-CA 3.11Å; A537-I547 HydrophobicContact CB-CG1 4.36Å; I547-L569 HydrophobicContact CG2-CB 4.22Å; I547-L569 HydrophobicContact CG2-CD1 4.14Å; I547-L569 PolarHBondContact O-N 2.96Å; I547-F570 HydrophobicContact CB-CB 4.36Å; I547-F570 HydrophobicContact CD1-CB 4.34Å; I547-F570 HydrophobicContact CD1-CD1 4.06Å; I547-F570 PolarHBondContact N-O 3.25Å; I547-F570 PolarHBondContact O-N 2.87Å; I547-W584 HydrophobicContact CD1-CH2 4.02Å; I547-W584 HydrophobicContact CG1-CH2 4.39Å; I547-M592 HydrophobicContact CD1-CE 4.13Å; I547-M592 HydrophobicContact CG1-CE 4.25Å |
| 548 | Y | 92.4 | Very high | 73.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151 | 178.2 | -52.2 | -88.7 | 0 | 0 | 0 | 110.8 | I501 I516 L518 V535 L536 A538 T546 E567 K568 | I501-Y548 HydrophobicContact CD1-CD2 4.47Å; I501-Y548 HydrophobicContact CD1-CE2 4Å; I516-Y548 HydrophobicContact CD1-CD1 3.91Å; I516-Y548 HydrophobicContact CD1-CG 3.88Å; I516-Y548 HydrophobicContact CG2-CD1 4.41Å; I516-Y548 HydrophobicContact CG2-CE1 4.15Å; L518-Y548 HydrophobicContact CD1-CE2 4.31Å; L518-Y548 VanDerWaalsContact CD1-OH 3.23Å; L518-Y548 WeakPolarHBondContact CD1-OH 3.33Å; L518-Y548 HydrophobicContact CD2-CE1 3.85Å; L518-Y548 WeakPolarHBondContact CD2-OH 3.18Å; V535-Y548 CarbonylContact C-O 3.57Å; V535-Y548 VanDerWaalsContact CA-O 3.25Å; V535-Y548 WeakPolarHBondContact CA-O 3.25Å; L536-Y548 HydrophobicContact CD1-CD2 3.67Å; L536-Y548 HydrophobicContact CD1-CG 4.43Å; L536-Y548 HydrophobicContact CG-CD2 4.36Å; L536-Y548 PolarHBondContact N-O 2.71Å; L536-Y548 PolarHBondContact O-N 3.26Å; A538-Y548 HydrophobicContact CB-CE2 4.03Å; T546-Y548 WeakPolarHBondContact CB-OH 2.87Å; T546-Y548 HydrophobicContact CG2-CD1 4.22Å; T546-Y548 HydrophobicContact CG2-CD2 4.23Å; T546-Y548 HydrophobicContact CG2-CE1 3.52Å; T546-Y548 HydrophobicContact CG2-CE2 3.57Å; T546-Y548 WeakPolarHBondContact CG2-OH 3.11Å; Y548-E567 CarbonylContact C-O 3.57Å; Y548-E567 WeakPolarHBondContact CA-O 3.38Å; Y548-E567 HydrophobicContact CD1-CB 4.49Å; Y548-K568 HydrophobicContact CD1-CB 4.23Å; Y548-K568 HydrophobicContact CE1-CB 4.25Å; Y548-K568 HydrophobicContact CE1-CG 4.38Å |
| 549 | D | 90.6 | Very high | 70.6 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 106.9 | 165.7 | -172.1 | -9.9 | 0 | 0 | 0 | 109.7 | G534 V535 K551 M552 E567 L569 | G534-D549 WeakPolarHBondContact O-CA 3.35Å; V535-D549 HydrophobicContact CG2-CB 4.12Å; D549-K551 PolarHBondContact O-N 2.65Å; D549-K551 VanDerWaalsContact O-N 3.13Å; D549-K551 VanDerWaalsContact OD1-CB 3.3Å; D549-K551 WeakPolarHBondContact OD1-CB 3.48Å; D549-K551 PolarHBondContact OD1-N 3.45Å; D549-M552 HydrophobicContact CB-CG 4.05Å; D549-M552 WeakPolarHBondContact O-CB 3.38Å; D549-M552 PolarHBondContact O-N 3.18Å; D549-M552 VanDerWaalsContact O-N 3.09Å; D549-E567 PolarHBondContact N-O 3.29Å; D549-L569 HydrophobicContact CB-CD1 3.76Å; D549-L569 HydrophobicContact CB-CD2 4.11Å; D549-L569 HydrophobicContact CB-CG 3.87Å |
| 550 | V | 86.9 | Confident | 68.2 | Low | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -67.9 | -12.5 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | L503 G534 L536 M552 C553 | L503-V550 HydrophobicContact CD2-CB 4.45Å; L503-V550 HydrophobicContact CD2-CG2 4.2Å; G534-V550 WeakPolarHBondContact O-CG2 3.41Å; G534-V550 PolarHBondContact O-N 3.49Å; L536-V550 HydrophobicContact CD2-CG1 3.62Å; V550-M552 PolarHBondContact O-N 3.28Å; V550-C553 PolarHBondContact O-N 3.24Å; V550-C553 PolarHBondContact O-SG 3.04Å |
| 551 | K | 80.5 | Confident | 65.8 | Low | 114 Ų | 114 | 76.6 Ų | 76.6 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -72.5 | -19.4 | 174.2 | -63.1 | -175.4 | 178.9 | -171.7 | 0 | 112.2 | E533 D549 C553 | E533-K551 IonicContact OE2-NZ 3.75Å; E533-K551 PolarHBondContact OE2-NZ 3Å; E533-K551 VanDerWaalsContact OE2-NZ 3.16Å; D549-K551 PolarHBondContact O-N 2.65Å; D549-K551 VanDerWaalsContact O-N 3.13Å; D549-K551 VanDerWaalsContact OD1-CB 3.3Å; D549-K551 WeakPolarHBondContact OD1-CB 3.48Å; D549-K551 PolarHBondContact OD1-N 3.45Å; K551-C553 PolarHBondContact O-N 3.25Å |
| 552 | M | 69.5 | Low | 63.7 | Low | 68 Ų | 68 | 80.9 Ų | 80.9 | 34% | 0.335 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -71.1 | -18.3 | 177.4 | -64.4 | -64.1 | -177.4 | 0 | 0 | 112.8 | D549 V550 C554 I555 L569 | D549-M552 HydrophobicContact CB-CG 4.05Å; D549-M552 WeakPolarHBondContact O-CB 3.38Å; D549-M552 PolarHBondContact O-N 3.18Å; D549-M552 VanDerWaalsContact O-N 3.09Å; V550-M552 PolarHBondContact O-N 3.28Å; M552-C554 PolarHBondContact O-N 3.18Å; M552-C554 VanDerWaalsContact O-N 3.13Å; M552-I555 PolarHBondContact O-N 3.1Å; M552-I555 VanDerWaalsContact O-N 3.08Å; M552-I555 HydrophobicContact SD-CD1 3.74Å; M552-L569 HydrophobicContact CE-CD2 4.41Å |
| 553 | C | 64.4 | Low | 62.3 | Low | 28 Ų | 28 | 86.1 Ų | 86.1 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -61.1 | -25.1 | 178.2 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | V550 K551 I555 E567 | V550-C553 PolarHBondContact O-N 3.24Å; V550-C553 PolarHBondContact O-SG 3.04Å; K551-C553 PolarHBondContact O-N 3.25Å; C553-I555 PolarHBondContact O-N 2.79Å; C553-E567 HydrophobicContact CB-CG 4.26Å; C553-E567 WeakPolarHBondContact CB-OE1 3.21Å |
| 554 | C | 51.2 | Low | 61.1 | Low | 109 Ų | 109 | 88.4 Ų | 88.4 | 74% | 0.736 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -74.2 | -10.9 | 179.7 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | M552 R556 | M552-C554 PolarHBondContact O-N 3.18Å; M552-C554 VanDerWaalsContact O-N 3.13Å; C554-R556 PolarHBondContact O-N 2.68Å |
| 555 | I | 47 | Very low | 59.8 | Low | 125 Ų | 125 | 90.2 Ų | 90.2 | 64% | 0.641 | 47% | 0.472 | S | S | * | . | trans | -84.8 | 58.6 | 175 | -48.2 | 176.1 | 0 | 0 | 0 | 108.3 | M552 C553 | M552-I555 PolarHBondContact O-N 3.1Å; M552-I555 VanDerWaalsContact O-N 3.08Å; M552-I555 HydrophobicContact SD-CD1 3.74Å; C553-I555 PolarHBondContact O-N 2.79Å | ||
| 556 | R | 39.2 | Very low | 58.4 | Low | 208 Ų | 208 | 96.5 Ų | 96.5 | 79% | 0.785 | 50% | 0.5 | S | S | * | . | trans | -102.5 | 18 | -173.7 | -111.8 | -171.9 | -176.8 | -168.5 | 2.5 | 114.7 | C554 | C554-R556 PolarHBondContact O-N 2.68Š| ||
| 557 | Q | 41.5 | Very low | 57.8 | Low | 180 Ų | 180 | 97.3 Ų | 97.3 | 84% | 0.841 | 50% | 0.504 | S | S | * | . | trans | -117.1 | 0.4 | -166.7 | -75.3 | -164.9 | -21 | 0 | 0 | 118.3 | ||||
| 558 | N | 32.1 | Very low | 57.3 | Low | 157 Ų | 157 | 100 Ų | 100 | 84% | 0.84 | 52% | 0.516 | S | S | * | . | trans | -124.8 | 107.4 | 175.9 | -78.5 | -22.1 | 0 | 0 | 0 | 113.5 | ||||
| 559 | V | 33.1 | Very low | 57 | Low | 130 Ų | 130 | 103.7 Ų | 103.7 | 79% | 0.788 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -27.1 | 136.2 | 156.7 | 173.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 560 | T | 41.8 | Very low | 56.8 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 77% | 0.773 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | 6.5 | 162.9 | 55 | 0 | 0 | 0 | 0 | 123.4 | E562 | T560-E562 PolarHBondContact O-N 2.69Š|
| 561 | D | 34.5 | Very low | 56.7 | Low | 146 Ų | 146 | 105.9 Ų | 105.9 | 78% | 0.781 | 54% | 0.544 | S | S | * | . | trans | -95.2 | 110.8 | 176.2 | -73.7 | -20.3 | 0 | 0 | 0 | 114.4 | ||||
| 562 | E | 35.9 | Very low | 56.8 | Low | 128 Ų | 128 | 101 Ų | 101 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | trans | -46.5 | 133.6 | 168.1 | -84.9 | 175.6 | 175.1 | 0 | 0 | 115.3 | T560 | T560-E562 PolarHBondContact O-N 2.69Š| ||
| 563 | F | 38.8 | Very low | 57 | Low | 197 Ų | 197 | 105.3 Ų | 105.3 | 86% | 0.864 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 52.7 | 86.2 | 152.4 | -59.9 | -76.3 | 0 | 0 | 0 | 119.7 | ||
| 564 | G | 47.1 | Very low | 57.2 | Low | 57 Ų | 57 | 108 Ų | 108 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 166.5 | 149.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H566 | G564-H566 PolarHBondContact O-N 2.72Å; G564-H566 VanDerWaalsContact O-N 3.14Å |
| 565 | I | 54.8 | Low | 58 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 29% | 0.292 | 53% | 0.525 | S | S | . | . | trans | -64 | 109.4 | 166.5 | -59.1 | 172.5 | 0 | 0 | 0 | 107.2 | I516 D517 L518 E567 K568 | I516-I565 HydrophobicContact CG2-CD1 4.41Å; I516-I565 HydrophobicContact CG2-CG2 4.01Å; D517-I565 VanDerWaalsContact O-CD1 3.32Å; D517-I565 WeakPolarHBondContact O-CD1 3.23Å; L518-I565 HydrophobicContact CD2-CD1 3.76Å; I565-E567 HydrophobicContact CG2-CB 4.32Å; I565-E567 WeakPolarHBondContact CG2-OE2 3.38Å; I565-E567 PolarHBondContact O-N 3.36Å; I565-E567 VanDerWaalsContact O-N 3.12Å; I565-K568 HydrophobicContact CB-CB 4.39Å; I565-K568 WeakPolarHBondContact O-CB 3.19Å; I565-K568 PolarHBondContact O-N 3.47Å | ||
| 566 | H | 60.8 | Low | 58.7 | Low | 132 Ų | 132 | 102.9 Ų | 102.9 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.8 | -172.2 | -65.1 | -72.2 | 0 | 0 | 0 | 113.7 | G564 K568 | G564-H566 PolarHBondContact O-N 2.72Å; G564-H566 VanDerWaalsContact O-N 3.14Å; H566-K568 VanDerWaalsContact C-N 3.34Å |
| 567 | E | 78.3 | Confident | 60 | Low | 18 Ų | 18 | 93.6 Ų | 93.6 | 8% | 0.084 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.2 | 179.6 | -59.6 | 78.3 | -171.7 | 0 | 0 | 113 | H514 I516 Y548 D549 C553 I565 L569 | H514-E567 IonicContact CE1-OE1 3.28Å; H514-E567 PolarHBondContact CE1-OE1 3.36Å; H514-E567 IonicContact NE2-OE1 2.98Å; H514-E567 PolarHBondContact NE2-OE1 3.11Å; I516-E567 HydrophobicContact CD1-CB 4.21Å; Y548-E567 CarbonylContact C-O 3.57Å; Y548-E567 WeakPolarHBondContact CA-O 3.38Å; Y548-E567 HydrophobicContact CD1-CB 4.49Å; D549-E567 PolarHBondContact N-O 3.29Å; C553-E567 HydrophobicContact CB-CG 4.26Å; C553-E567 WeakPolarHBondContact CB-OE1 3.21Å; I565-E567 HydrophobicContact CG2-CB 4.32Å; I565-E567 WeakPolarHBondContact CG2-OE2 3.38Å; I565-E567 PolarHBondContact O-N 3.36Å; I565-E567 VanDerWaalsContact O-N 3.12Å; E567-L569 PolarHBondContact O-N 3.08Å |
| 568 | K | 83.9 | Confident | 61.8 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 114.5 | -174.7 | -173.5 | 176.1 | -63.2 | -171 | 0 | 111.3 | T546 Y548 I565 H566 | T546-K568 HydrophobicContact CG2-CD 4.08Å; T546-K568 HydrophobicContact CG2-CG 3.76Å; Y548-K568 HydrophobicContact CD1-CB 4.23Å; Y548-K568 HydrophobicContact CE1-CB 4.25Å; Y548-K568 HydrophobicContact CE1-CG 4.38Å; I565-K568 HydrophobicContact CB-CB 4.39Å; I565-K568 WeakPolarHBondContact O-CB 3.19Å; I565-K568 PolarHBondContact O-N 3.47Å; H566-K568 VanDerWaalsContact C-N 3.34Å |
| 569 | L | 86 | Confident | 64.6 | Low | 76 Ų | 76 | 81.7 Ų | 81.7 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -43.1 | 175.3 | -68.7 | -176.3 | 0 | 0 | 0 | 112.6 | V535 I547 D549 M552 E567 W590 | V535-L569 HydrophobicContact CG1-CD1 4.34Å; V535-L569 HydrophobicContact CG2-CD1 4.17Å; I547-L569 HydrophobicContact CG2-CB 4.22Å; I547-L569 HydrophobicContact CG2-CD1 4.14Å; I547-L569 PolarHBondContact O-N 2.96Å; D549-L569 HydrophobicContact CB-CD1 3.76Å; D549-L569 HydrophobicContact CB-CD2 4.11Å; D549-L569 HydrophobicContact CB-CG 3.87Å; M552-L569 HydrophobicContact CE-CD2 4.41Å; E567-L569 PolarHBondContact O-N 3.08Å; L569-W590 HydrophobicContact CD1-CH2 4.42Å |
| 570 | F | 85.7 | Confident | 67.3 | Low | 66 Ų | 66 | 76.4 Ų | 76.4 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 140.6 | -172 | 179.7 | -101.6 | 0 | 0 | 0 | 111.6 | P240 Y241 T546 I547 H572 | P240-F570 HydrophobicContact CB-CE2 4.21Å; Y241-F570 HydrophobicContact CD1-CZ 4.24Å; Y241-F570 AromaticContact CE1-CE1 3.87Å; Y241-F570 HydrophobicContact CE1-CE1 3.87Å; Y241-F570 AromaticContact CE1-CZ 3.44Å; Y241-F570 HydrophobicContact CE1-CZ 3.44Å; Y241-F570 VanDerWaalsContact CE1-CZ 3.44Å; Y241-F570 AromaticContact CZ-CZ 3.77Å; T546-F570 CarbonylContact C-O 3.56Å; T546-F570 WeakPolarHBondContact CA-O 3.46Å; I547-F570 HydrophobicContact CB-CB 4.36Å; I547-F570 HydrophobicContact CD1-CB 4.34Å; I547-F570 HydrophobicContact CD1-CD1 4.06Å; I547-F570 PolarHBondContact N-O 3.25Å; I547-F570 PolarHBondContact O-N 2.87Å; F570-H572 HydrophobicContact CE1-CB 3.91Å |
| 571 | T | 83.8 | Confident | 69.8 | Low | 28 Ų | 28 | 70.4 Ų | 70.4 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.5 | 171 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | E544 T546 R573 | E544-T571 HydrophobicContact CB-CG2 3.91Å; E544-T571 HydrophobicContact CG-CG2 4.2Å; E544-T571 WeakPolarHBondContact OE2-CG2 3.34Å; T546-T571 VanDerWaalsContact CG2-OG1 3.26Å; T546-T571 WeakPolarHBondContact CG2-OG1 3.19Å; T546-T571 WeakPolarHBondContact OG1-CG2 3.38Å; T546-T571 PolarHBondContact OG1-OG1 2.58Å; T546-T571 VanDerWaalsContact OG1-OG1 3.08Å; T571-R573 HydrophobicContact CG2-CG 3.61Å |
| 572 | H | 82.5 | Confident | 72.8 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 109.6 | 171.3 | -177.3 | 66.3 | 0 | 0 | 0 | 110.5 | Y241 M244 E544 V545 F570 V574 H575 | Y241-H572 AromaticContact CE1-ND1 3.6Å; Y241-H572 AromaticContact CZ-ND1 3.46Å; Y241-H572 PolarHBondContact OH-CE1 3.41Å; Y241-H572 PolarHBondContact OH-ND1 3.26Å; M244-H572 WeakPolarHBondContact CE-CE1 3.48Å; E544-H572 WeakPolarHBondContact CA-O 3.4Å; V545-H572 HydrophobicContact CB-CB 4.2Å; V545-H572 PolarHBondContact N-O 2.76Å; V545-H572 VanDerWaalsContact N-O 3.12Å; V545-H572 PolarHBondContact O-N 2.52Å; F570-H572 HydrophobicContact CE1-CB 3.91Å; H572-V574 VanDerWaalsContact CE1-CB 3.41Å; H572-V574 WeakPolarHBondContact CE1-CB 3.45Å; H572-V574 WeakPolarHBondContact CE1-CG2 3.41Å; H572-H575 AromaticContact CD2-CD2 3.36Å; H572-H575 PolarHBondContact CD2-CD2 2.94Å; H572-H575 AromaticContact CD2-NE2 3.31Å; H572-H575 PolarHBondContact CD2-NE2 3.31Å; H572-H575 VanDerWaalsContact CD2-NE2 3.31Å; H572-H575 AromaticContact NE2-CD2 3.79Å; H572-H575 AromaticContact NE2-CE1 3.86Å; H572-H575 AromaticContact NE2-NE2 3.58Å |
| 573 | R | 74.1 | Confident | 75.7 | Confident | 157 Ų | 157 | 58.2 Ų | 58.2 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | trans | -110.8 | 30.3 | -176.7 | -56.3 | -172.3 | 163.2 | -179.5 | -12.4 | 114.1 | E544 T571 | E544-R573 VanDerWaalsContact CD-NE 3.34Å; E544-R573 HydrophobicContact CG-CG 4.06Å; E544-R573 VanDerWaalsContact OE1-CD 3.23Å; E544-R573 WeakPolarHBondContact OE1-CD 3.48Å; E544-R573 WeakPolarHBondContact OE1-CG 3.35Å; E544-R573 IonicContact OE1-CZ 3.24Å; E544-R573 IonicContact OE1-NE 3.41Å; E544-R573 PolarHBondContact OE1-NE 2.74Å; E544-R573 IonicContact OE1-NH2 3.36Å; E544-R573 PolarHBondContact OE1-NH2 3.44Å; E544-R573 IonicContact OE2-CZ 3.66Å; E544-R573 IonicContact OE2-NE 3.43Å; E544-R573 PolarHBondContact OE2-NE 2.62Å; E544-R573 IonicContact OE2-NH2 3.16Å; E544-R573 PolarHBondContact OE2-NH2 3.34Å; T571-R573 HydrophobicContact CG2-CG 3.61Å | ||
| 574 | V | 69.5 | Low | 78.5 | Confident | 86 Ų | 86 | 49.5 Ų | 49.5 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | trans | -97.8 | -15.4 | -176.1 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | H572 | H572-V574 VanDerWaalsContact CE1-CB 3.41Å; H572-V574 WeakPolarHBondContact CE1-CB 3.45Å; H572-V574 WeakPolarHBondContact CE1-CG2 3.41Å | ||
| 575 | H | 68.4 | Low | 80.7 | Confident | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | trans | -68.4 | 153.2 | 176.4 | -64.7 | -56.3 | 0 | 0 | 0 | 111.2 | A543 H572 I579 S594 V596 | A543-H575 HydrophobicContact CB-CB 3.91Å; A543-H575 WeakPolarHBondContact CB-O 3.16Å; A543-H575 WeakPolarHBondContact O-CB 3.3Å; H572-H575 AromaticContact CD2-CD2 3.36Å; H572-H575 PolarHBondContact CD2-CD2 2.94Å; H572-H575 AromaticContact CD2-NE2 3.31Å; H572-H575 PolarHBondContact CD2-NE2 3.31Å; H572-H575 VanDerWaalsContact CD2-NE2 3.31Å; H572-H575 AromaticContact NE2-CD2 3.79Å; H572-H575 AromaticContact NE2-CE1 3.86Å; H572-H575 AromaticContact NE2-NE2 3.58Å; H575-I579 HydrophobicContact CB-CD1 3.86Å; H575-I579 WeakPolarHBondContact CD2-CD1 3.12Å; H575-S594 PolarHBondContact CE1-OG 2.8Å; H575-S594 WeakPolarHBondContact NE2-CB 3.38Å; H575-S594 PolarHBondContact NE2-OG 2.89Å; H575-V596 HydrophobicContact CB-CG2 3.47Å; H575-V596 VanDerWaalsContact CB-CG2 3.47Å; H575-V596 WeakPolarHBondContact ND1-CG2 3.32Å | ||
| 576 | T | 60 | Low | 82.5 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -117.8 | 17.6 | -177.2 | 59.7 | 0 | 0 | 0 | 0 | 113 | R822 | T576-R822 VanDerWaalsContact CG2-NH1 3.33Š|
| 577 | G | 67.4 | Low | 83.9 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -167.7 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A543 V596 I597 | A543-G577 VanDerWaalsContact CA-O 3.24Å; A543-G577 WeakPolarHBondContact CA-O 3.48Å; A543-G577 WeakPolarHBondContact CB-O 3.45Å; G577-V596 VanDerWaalsContact C-CG1 3.44Å; G577-V596 VanDerWaalsContact CA-CG1 3.48Å; G577-V596 WeakPolarHBondContact O-CG1 3.44Å; G577-I597 CarbonylContact C-O 3.55Å |
| 578 | E | 80.1 | Confident | 84.5 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 139.3 | -176.6 | -62.5 | 163.4 | -158 | 0 | 0 | 111.8 | Y524 S580 V596 I597 | Y524-E578 HydrophobicContact CE2-CB 4.26Å; Y524-E578 HydrophobicContact CE2-CG 4.45Å; E578-S580 PolarHBondContact O-N 3.42Å; E578-V596 CarbonylContact O-C 3.54Å; E578-V596 VanDerWaalsContact O-CA 3.32Å; E578-V596 WeakPolarHBondContact O-CA 3.31Å; E578-I597 HydrophobicContact CB-CG2 4.08Å; E578-I597 PolarHBondContact N-O 2.82Å; E578-I597 VanDerWaalsContact N-O 3.12Å; E578-I597 PolarHBondContact O-N 3.49Å |
| 579 | I | 89.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117.2 | 176.8 | -51 | -52.3 | 0 | 0 | 0 | 109.2 | T525 D540 E544 V545 H575 I582 L595 V596 | T525-I579 HydrophobicContact CG2-CG2 4.09Å; D540-I579 PolarHBondContact O-N 3.31Å; D540-I579 VanDerWaalsContact O-N 3.11Å; E544-I579 WeakPolarHBondContact O-CG1 3.3Å; V545-I579 HydrophobicContact CG2-CD1 3.87Å; V545-I579 HydrophobicContact CG2-CG1 3.85Å; V545-I579 HydrophobicContact CG2-CG2 4.03Å; H575-I579 HydrophobicContact CB-CD1 3.86Å; H575-I579 WeakPolarHBondContact CD2-CD1 3.12Å; I579-I582 HydrophobicContact CG2-CG2 3.77Å; I579-L595 WeakPolarHBondContact CA-O 3.44Å; I579-V596 HydrophobicContact CD1-CG2 3.98Å |
| 580 | S | 89.7 | Confident | 85 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -39.9 | -177.9 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | A253 E578 L595 | A253-S580 PolarHBondContact O-OG 3.29Å; E578-S580 PolarHBondContact O-N 3.42Å; S580-L595 PolarHBondContact N-O 2.96Å; S580-L595 WeakPolarHBondContact OG-CG 3.03Å; S580-L595 PolarHBondContact OG-O 2.86Å |
| 581 | D | 95.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 152 | 178.3 | -162.8 | 19.5 | 0 | 0 | 0 | 111.1 | F254 S255 V256 R326 R328 T525 L595 | F254-D581 WeakPolarHBondContact O-CB 3.39Å; S255-D581 WeakPolarHBondContact CA-OD2 3.41Å; V256-D581 HydrophobicContact CG1-CB 4.01Å; V256-D581 PolarHBondContact N-OD2 2.79Å; V256-D581 VanDerWaalsContact O-OD2 3.1Å; R326-D581 IonicContact CZ-OD1 3.71Å; R326-D581 IonicContact NH1-OD1 2.76Å; R326-D581 PolarHBondContact NH1-OD1 2.76Å; R326-D581 IonicContact NH1-OD2 2.69Å; R326-D581 PolarHBondContact NH1-OD2 3.4Å; R326-D581 VanDerWaalsContact NH1-OD2 3.09Å; R326-D581 IonicContact NH2-OD1 2.72Å; R328-D581 IonicContact CZ-OD2 3.88Å; R328-D581 IonicContact NH1-OD2 3.96Å; R328-D581 PolarHBondContact NH1-OD2 3.21Å; R328-D581 IonicContact NH2-OD1 2.67Å; R328-D581 PolarHBondContact NH2-OD1 2.83Å; R328-D581 IonicContact NH2-OD2 2.89Å; R328-D581 PolarHBondContact NH2-OD2 3.13Å; T525-D581 PolarHBondContact OG1-OD1 2.88Å; D581-L595 WeakPolarHBondContact O-CB 3.47Å; D581-L595 PolarHBondContact O-N 3.49Å |
| 582 | I | 96.6 | Very high | 85.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.2 | 175.5 | 62.1 | 177.9 | 0 | 0 | 0 | 109.9 | T525 A527 A537 V545 I579 M592 A593 | T525-I582 HydrophobicContact CG2-CB 4.3Å; T525-I582 HydrophobicContact CG2-CD1 4.2Å; T525-I582 HydrophobicContact CG2-CG1 3.79Å; T525-I582 HydrophobicContact CG2-CG2 3.94Å; A527-I582 HydrophobicContact CB-CD1 3.9Å; A527-I582 HydrophobicContact CB-CG1 3.96Å; A537-I582 HydrophobicContact CB-CD1 3.77Å; A537-I582 WeakPolarHBondContact O-CD1 3.22Å; V545-I582 HydrophobicContact CG1-CG2 4.37Å; V545-I582 HydrophobicContact CG2-CG2 4.25Å; I579-I582 HydrophobicContact CG2-CG2 3.77Å; I582-M592 HydrophobicContact CB-SD 4.41Å; I582-A593 CarbonylContact C-O 3.58Å; I582-A593 WeakPolarHBondContact CA-O 3.31Å |
| 583 | S | 97.1 | Very high | 86.6 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 124.1 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | Q257 W258 M592 A593 | Q257-S583 WeakPolarHBondContact CA-OG 3.3Å; W258-S583 PolarHBondContact N-OG 3.03Å; W258-S583 PolarHBondContact NE1-O 3.4Å; S583-M592 CarbonylContact O-C 3.55Å; S583-M592 WeakPolarHBondContact O-CA 3.32Å; S583-A593 PolarHBondContact N-O 2.81Å; S583-A593 PolarHBondContact O-N 2.76Å |
| 584 | W | 97.1 | Very high | 87.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 141 | 167.7 | -66.6 | 102.5 | 0 | 0 | 0 | 111.4 | W258 A527 C529 P530 A537 I547 W590 M592 | W258-W584 VanDerWaalsContact CD1-C 3.45Å; A527-W584 PolarHBondContact O-NE1 3.49Å; C529-W584 HydrophobicContact CB-CD2 4.47Å; C529-W584 HydrophobicContact CB-CH2 4.41Å; C529-W584 HydrophobicContact CB-CZ2 4.01Å; P530-W584 HydrophobicContact CG-CB 3.73Å; P530-W584 HydrophobicContact CG-CG 4.41Å; A537-W584 HydrophobicContact CB-CZ2 3.63Å; I547-W584 HydrophobicContact CD1-CH2 4.02Å; I547-W584 HydrophobicContact CG1-CH2 4.39Å; W584-W590 HydrophobicContact CH2-CE3 4.46Å; W584-M592 HydrophobicContact CD2-CB 4.3Å; W584-M592 HydrophobicContact CD2-CG 4.43Å; W584-M592 HydrophobicContact CD2-SD 4.27Å; W584-M592 HydrophobicContact CE3-CB 3.85Å; W584-M592 HydrophobicContact CE3-CG 4.46Å; W584-M592 HydrophobicContact CH2-CE 4.27Å; W584-M592 HydrophobicContact CH2-SD 4.27Å; W584-M592 HydrophobicContact CZ2-CE 4.44Å; W584-M592 HydrophobicContact CZ2-SD 4Å; W584-M592 HydrophobicContact CZ3-CB 4.01Å |
| 585 | D | 94.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -75.3 | 126.4 | 167.5 | -166.4 | -54.4 | 0 | 0 | 0 | 109.1 | W258 R279 D587 I588 M591 | W258-D585 HydrophobicContact CB-CB 4.47Å; W258-D585 HydrophobicContact CD2-CB 4.18Å; W258-D585 HydrophobicContact CG-CB 3.95Å; R279-D585 IonicContact CZ-OD1 3.84Å; R279-D585 IonicContact CZ-OD2 2.83Å; R279-D585 IonicContact NE-OD1 3.92Å; R279-D585 IonicContact NE-OD2 3.77Å; R279-D585 PolarHBondContact NE-OD2 2.85Å; R279-D585 IonicContact NH2-OD1 3.73Å; R279-D585 PolarHBondContact NH2-OD1 3.27Å; R279-D585 IonicContact NH2-OD2 3.65Å; R279-D585 PolarHBondContact NH2-OD2 2.98Å; D585-D587 WeakPolarHBondContact OD1-CA 3.26Å; D585-D587 PolarHBondContact OD1-N 3.15Å; D585-I588 HydrophobicContact CB-CB 4.45Å; D585-I588 PolarHBondContact OD1-N 2.83Å; D585-M591 HydrophobicContact CB-CB 3.79Å; D585-M591 HydrophobicContact CB-CG 4.01Å; D585-M591 PolarHBondContact N-O 2.63Å | ||
| 586 | K | 91.5 | Very high | 89.2 | Confident | 104 Ų | 104 | 37.4 Ų | 37.4 | 45% | 0.452 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -78 | -17.9 | 179.7 | -67.5 | -174.8 | 177.4 | -180 | 0 | 113.1 | E390 P530 | E390-K586 IonicContact OE1-NZ 2.74Å; E390-K586 PolarHBondContact OE1-NZ 3.06Å; E390-K586 IonicContact OE2-NZ 2.81Å; P530-K586 HydrophobicContact CG-CG 4.33Å |
| 587 | D | 90.4 | Very high | 89.7 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 33% | 0.332 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -102.6 | -35 | -175.7 | -58.9 | -59.5 | 0 | 0 | 0 | 113 | P260 E261 R279 D585 | P260-D587 WeakPolarHBondContact CA-OD2 3.38Å; E261-D587 PolarHBondContact N-OD2 3.25Å; R279-D587 IonicContact CZ-OD2 3.82Å; R279-D587 IonicContact NH1-OD2 2.82Å; R279-D587 PolarHBondContact NH1-OD2 2.04Å; R279-D587 IonicContact NH2-OD2 2.81Å; R279-D587 PolarHBondContact NH2-OD2 3.13Å; D585-D587 WeakPolarHBondContact OD1-CA 3.26Å; D585-D587 PolarHBondContact OD1-N 3.15Å |
| 588 | I | 91.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -104.3 | 108.8 | 177.9 | -55.6 | 177.2 | 0 | 0 | 0 | 109 | V277 R279 V297 D585 M591 | V277-I588 HydrophobicContact CG2-CD1 4.06Å; R279-I588 HydrophobicContact CG-CD1 3.83Å; V297-I588 HydrophobicContact CG2-CD1 3.83Å; D585-I588 HydrophobicContact CB-CB 4.45Å; D585-I588 PolarHBondContact OD1-N 2.83Å; I588-M591 HydrophobicContact CB-CB 3.96Å; I588-M591 HydrophobicContact CG2-CB 3.85Å; I588-M591 HydrophobicContact CG2-CE 4.2Å; I588-M591 WeakPolarHBondContact O-CB 3.45Å; I588-M591 PolarHBondContact O-N 2.96Å |
| 589 | P | 89.9 | Confident | 87.7 | Confident | 55 Ų | 55 | 35 Ų | 35 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 141.8 | 179.9 | -25 | 34.6 | 0 | 0 | 0 | 112.1 | A531 M591 | A531-P589 HydrophobicContact CB-CB 4.01Å; P589-M591 PolarHBondContact O-N 3.28Å; P589-M591 VanDerWaalsContact O-N 3.07Å |
| 590 | W | 91.5 | Very high | 85.9 | Confident | 131 Ų | 131 | 40.5 Ų | 40.5 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 3.6 | 177.8 | -57.4 | 97.8 | 0 | 0 | 0 | 116.3 | K532 V535 L569 W584 | K532-W590 HydrophobicContact CG-CH2 4.27Å; K532-W590 HydrophobicContact CG-CZ2 3.71Å; V535-W590 HydrophobicContact CG1-CH2 4.17Å; V535-W590 HydrophobicContact CG1-CZ3 3.97Å; V535-W590 HydrophobicContact CG2-CH2 4.11Å; L569-W590 HydrophobicContact CD1-CH2 4.42Å; W584-W590 HydrophobicContact CH2-CE3 4.46Å |
| 591 | M | 93.2 | Very high | 84.7 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | trans | -81.9 | 127.9 | 172.8 | -175.2 | 67.9 | 59.6 | 0 | 0 | 110 | T243 W258 V297 D585 I588 P589 | T243-M591 HydrophobicContact CG2-CE 3.89Å; T243-M591 HydrophobicContact CG2-SD 4.43Å; W258-M591 HydrophobicContact CZ2-CG 4.1Å; V297-M591 HydrophobicContact CB-CE 4.39Å; D585-M591 HydrophobicContact CB-CB 3.79Å; D585-M591 HydrophobicContact CB-CG 4.01Å; D585-M591 PolarHBondContact N-O 2.63Å; I588-M591 HydrophobicContact CB-CB 3.96Å; I588-M591 HydrophobicContact CG2-CB 3.85Å; I588-M591 HydrophobicContact CG2-CE 4.2Å; I588-M591 WeakPolarHBondContact O-CB 3.45Å; I588-M591 PolarHBondContact O-N 2.96Å; P589-M591 PolarHBondContact O-N 3.28Å; P589-M591 VanDerWaalsContact O-N 3.07Å | ||
| 592 | M | 95.2 | Very high | 84.2 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 23% | 0.232 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.2 | 179.8 | -178.2 | 168.3 | 49 | 0 | 0 | 109.9 | A537 V545 I547 I582 S583 W584 | A537-M592 HydrophobicContact CB-CE 4.23Å; A537-M592 HydrophobicContact CB-SD 3.67Å; V545-M592 HydrophobicContact CG1-CE 3.61Å; V545-M592 HydrophobicContact CG1-SD 4.11Å; I547-M592 HydrophobicContact CD1-CE 4.13Å; I547-M592 HydrophobicContact CG1-CE 4.25Å; I582-M592 HydrophobicContact CB-SD 4.41Å; S583-M592 CarbonylContact O-C 3.55Å; S583-M592 WeakPolarHBondContact O-CA 3.32Å; W584-M592 HydrophobicContact CD2-CB 4.3Å; W584-M592 HydrophobicContact CD2-CG 4.43Å; W584-M592 HydrophobicContact CD2-SD 4.27Å; W584-M592 HydrophobicContact CE3-CB 3.85Å; W584-M592 HydrophobicContact CE3-CG 4.46Å; W584-M592 HydrophobicContact CH2-CE 4.27Å; W584-M592 HydrophobicContact CH2-SD 4.27Å; W584-M592 HydrophobicContact CZ2-CE 4.44Å; W584-M592 HydrophobicContact CZ2-SD 4Å; W584-M592 HydrophobicContact CZ3-CB 4.01Å |
| 593 | A | 95.3 | Very high | 83.7 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | V256 W258 L281 I582 S583 | V256-A593 HydrophobicContact CG2-CB 4.07Å; W258-A593 HydrophobicContact CZ2-CB 4.02Å; L281-A593 HydrophobicContact CD2-CB 3.87Å; I582-A593 CarbonylContact C-O 3.58Å; I582-A593 WeakPolarHBondContact CA-O 3.31Å; S583-A593 PolarHBondContact N-O 2.81Å; S583-A593 PolarHBondContact O-N 2.76Å |
| 594 | S | 94.2 | Very high | 83 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.2 | 173.5 | 49 | 0 | 0 | 0 | 0 | 109.4 | H575 | H575-S594 PolarHBondContact CE1-OG 2.8Å; H575-S594 WeakPolarHBondContact NE2-CB 3.38Å; H575-S594 PolarHBondContact NE2-OG 2.89Å |
| 595 | L | 91.6 | Very high | 82.4 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.1 | -177.3 | -169.6 | 67.7 | 0 | 0 | 0 | 109.7 | L249 A253 V256 I579 S580 D581 | L249-L595 HydrophobicContact CD1-CD1 3.5Å; A253-L595 HydrophobicContact CB-CD1 4.06Å; A253-L595 HydrophobicContact CB-CD2 3.65Å; A253-L595 HydrophobicContact CB-CG 4.31Å; A253-L595 WeakPolarHBondContact O-CD2 3.41Å; A253-L595 WeakPolarHBondContact O-CG 2.99Å; V256-L595 HydrophobicContact CB-CB 4.34Å; V256-L595 HydrophobicContact CB-CD2 4.31Å; V256-L595 HydrophobicContact CG1-CB 4.05Å; I579-L595 WeakPolarHBondContact CA-O 3.44Å; S580-L595 PolarHBondContact N-O 2.96Å; S580-L595 WeakPolarHBondContact OG-CG 3.03Å; S580-L595 PolarHBondContact OG-O 2.86Å; D581-L595 WeakPolarHBondContact O-CB 3.47Å; D581-L595 PolarHBondContact O-N 3.49Å |
| 596 | V | 81.2 | Confident | 81.4 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.5 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | H575 G577 E578 I579 | H575-V596 HydrophobicContact CB-CG2 3.47Å; H575-V596 VanDerWaalsContact CB-CG2 3.47Å; H575-V596 WeakPolarHBondContact ND1-CG2 3.32Å; G577-V596 VanDerWaalsContact C-CG1 3.44Å; G577-V596 VanDerWaalsContact CA-CG1 3.48Å; G577-V596 WeakPolarHBondContact O-CG1 3.44Å; E578-V596 CarbonylContact O-C 3.54Å; E578-V596 VanDerWaalsContact O-CA 3.32Å; E578-V596 WeakPolarHBondContact O-CA 3.31Å; I579-V596 HydrophobicContact CD1-CG2 3.98Å |
| 597 | I | 71.6 | Confident | 80.8 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 19% | 0.185 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.4 | 159.9 | -168 | 165.9 | 0 | 0 | 0 | 109.1 | F254 L286 G577 E578 | F254-I597 HydrophobicContact CD1-CD1 3.84Å; F254-I597 HydrophobicContact CE1-CB 4.47Å; F254-I597 HydrophobicContact CE1-CD1 3.09Å; F254-I597 HydrophobicContact CE1-CG1 4.34Å; F254-I597 HydrophobicContact CE1-CG2 4.4Å; F254-I597 HydrophobicContact CE2-CD1 4.19Å; F254-I597 HydrophobicContact CZ-CD1 3.28Å; L286-I597 HydrophobicContact CD1-CD1 3.89Å; L286-I597 HydrophobicContact CD1-CG1 4.49Å; G577-I597 CarbonylContact C-O 3.55Å; E578-I597 HydrophobicContact CB-CG2 4.08Å; E578-I597 PolarHBondContact N-O 2.82Å; E578-I597 VanDerWaalsContact N-O 3.12Å; E578-I597 PolarHBondContact O-N 3.49Å |
| 598 | G | 55.5 | Low | 80.2 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | trans | 161.8 | 161 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 599 | V | 49 | Very low | 79.9 | Confident | 51 Ų | 51 | 45 Ų | 45 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -41.2 | 146 | -174.8 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | P601 V659 Y733 | V599-P601 WeakPolarHBondContact O-CD 3.37Å; V599-V659 HydrophobicContact CG2-CG1 4.38Å; V599-Y733 HydrophobicContact CG1-CD2 4.32Å; V599-Y733 HydrophobicContact CG1-CE2 3.84Å |
| 600 | R | 53.3 | Low | 79.6 | Confident | 116 Ų | 116 | 44 Ų | 44 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | trans | -43.1 | 114.7 | 171.1 | -81.7 | -171.7 | -174.9 | -178.3 | 6.3 | 108.7 | C602 Y733 T734 | R600-C602 PolarHBondContact O-N 3.26Å; R600-Y733 HydrophobicContact CB-CD2 4.44Å; R600-T734 VanDerWaalsContact NH1-C 3.33Å; R600-T734 PolarHBondContact NH1-O 3.22Å | ||
| 601 | P | 64 | Low | 79.2 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | trans | -61.4 | 135.3 | -174.7 | 22.2 | -31.7 | 0 | 0 | 0 | 108.4 | V599 V604 | V599-P601 WeakPolarHBondContact O-CD 3.37Å; P601-V604 HydrophobicContact CG-CG2 4.03Å | ||
| 602 | C | 83.3 | Confident | 78.6 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 156.1 | 171.7 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | R600 V604 D655 P739 C741 R822 | R600-C602 PolarHBondContact O-N 3.26Å; C602-V604 PolarHBondContact O-N 3.45Å; C602-D655 HydrophobicContact CB-CB 4.42Å; C602-P739 HydrophobicContact CB-CB 4.47Å; C602-P739 HydrophobicContact CB-CG 4.03Å; C602-C741 HydrophobicContact CB-CB 4.05Å; C602-C741 WeakPolarHBondContact CB-SG 3.42Å; C602-C741 PolarHBondContact O-SG 2.71Å; C602-C741 WeakPolarHBondContact SG-CA 3.43Å; C602-C741 WeakPolarHBondContact SG-CB 3.48Å; C602-C741 CovalentContact SG-SG 2.05Å; C602-C741 PolarHBondContact SG-SG 3.33Å; C602-R822 PolarHBondContact O-NE 3.05Å; C602-R822 PolarHBondContact O-NH2 3.27Å; C602-R822 PolarHBondContact SG-NH2 2.76Å |
| 603 | G | 88 | Confident | 77.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 7.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P605 P739 Y823 | G603-P605 WeakPolarHBondContact O-CD 3.25Å; G603-P739 PolarHBondContact N-O 2.94Å; G603-Y823 WeakPolarHBondContact CA-O 3.49Å; G603-Y823 WeakPolarHBondContact O-CD2 3.25Å; G603-Y823 PolarHBondContact O-N 2.97Å |
| 604 | V | 81.3 | Confident | 76.3 | Confident | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | trans | -112.4 | 98.7 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | P601 C602 R822 | P601-V604 HydrophobicContact CG-CG2 4.03Å; C602-V604 PolarHBondContact O-N 3.45Å; V604-R822 HydrophobicContact CG2-CG 3.78Å | ||
| 605 | P | 84.4 | Confident | 74.6 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | trans | -74.8 | 141.2 | 178.7 | 30.9 | -34 | 0 | 0 | 0 | 111.2 | G603 I607 P609 S631 P633 W634 Y823 | G603-P605 WeakPolarHBondContact O-CD 3.25Å; P605-I607 PolarHBondContact O-N 3.03Å; P605-P609 HydrophobicContact CG-CG 4.04Å; P605-S631 WeakPolarHBondContact CB-O 3.4Å; P605-P633 HydrophobicContact CB-CG 3.86Å; P605-W634 HydrophobicContact CB-CH2 4.41Å; P605-W634 HydrophobicContact CB-CZ3 4.08Å; P605-W634 HydrophobicContact CG-CH2 4.19Å; P605-W634 HydrophobicContact CG-CZ3 4.2Å; P605-Y823 HydrophobicContact CG-CD2 4.33Å; P605-Y823 HydrophobicContact CG-CE2 4.2Å | ||
| 606 | A | 73.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 49% | 0.488 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -64.5 | -26 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K735 | A606-K735 HydrophobicContact CB-CB 3.89Å; A606-K735 HydrophobicContact CB-CG 4.02Å |
| 607 | I | 78.8 | Confident | 70.7 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -116.2 | 117.3 | 176.5 | -59.7 | 170.1 | 0 | 0 | 0 | 107.4 | P605 R628 N630 S631 | P605-I607 PolarHBondContact O-N 3.03Å; I607-R628 HydrophobicContact CG2-CG 3.92Å; I607-N630 HydrophobicContact CD1-CB 4.08Å; I607-S631 WeakPolarHBondContact O-CA 3.22Å; I607-S631 WeakPolarHBondContact O-CB 3.27Å |
| 608 | S | 79.5 | Confident | 69.1 | Low | 81 Ų | 81 | 70.7 Ų | 70.7 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | trans | -63 | 132.3 | -177.7 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | R628 | S608-R628 PolarHBondContact O-NH1 2.94Š| ||
| 609 | P | 85.1 | Confident | 68.1 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 10% | 0.097 | 41% | 0.409 | C | S | . | . | trans | -64.9 | 152.7 | 174.8 | -20.9 | 31.2 | 0 | 0 | 0 | 112.8 | P605 K611 S631 L632 Y823 | P605-P609 HydrophobicContact CG-CG 4.04Å; P609-K611 PolarHBondContact O-N 2.91Å; P609-S631 WeakPolarHBondContact CG-O 3.42Å; P609-L632 HydrophobicContact CB-CD2 4.07Å; P609-L632 HydrophobicContact CG-CD2 3.89Å; P609-Y823 HydrophobicContact CG-CE2 3.97Å | ||
| 610 | L | 83.7 | Confident | 67.3 | Low | 32 Ų | 32 | 83.3 Ų | 83.3 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | trans | -75.9 | 107.3 | 170.8 | -70.8 | 172.1 | 0 | 0 | 0 | 109.8 | V612 T614 W625 R628 Q774 | L610-V612 VanDerWaalsContact C-N 3.28Å; L610-V612 PolarHBondContact O-N 3.48Å; L610-T614 HydrophobicContact CD1-CG2 3.77Å; L610-T614 HydrophobicContact CD2-CG2 3.95Å; L610-W625 VanDerWaalsContact O-CZ2 3.29Å; L610-W625 WeakPolarHBondContact O-CZ2 3.06Å; L610-W625 PolarHBondContact O-NE1 2.92Å; L610-R628 HydrophobicContact CD1-CB 4.36Å; L610-R628 HydrophobicContact CG-CB 4.26Å; L610-Q774 PolarHBondContact O-NE2 3.44Å | ||
| 611 | K | 82.2 | Confident | 66.1 | Low | 88 Ų | 88 | 84 Ų | 84 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -71.1 | -26.7 | 178.9 | -58.5 | -175.6 | -173.1 | -173.8 | 0 | 112.5 | P609 F756 R776 E818 | P609-K611 PolarHBondContact O-N 2.91Å; K611-F756 HydrophobicContact CB-CZ 4.26Å; K611-F756 HydrophobicContact CG-CZ 4.38Å; K611-R776 PolarHBondContact O-NE 3.21Å; K611-R776 PolarHBondContact O-NH1 2.99Å; K611-R776 PolarHBondContact O-NH2 3.27Å; K611-E818 WeakPolarHBondContact CE-OE1 3.37Å; K611-E818 WeakPolarHBondContact CE-OE2 3.5Å; K611-E818 IonicContact NZ-OE1 3.4Å; K611-E818 PolarHBondContact NZ-OE1 3.07Å; K611-E818 IonicContact NZ-OE2 3.45Å; K611-E818 PolarHBondContact NZ-OE2 2.83Å |
| 612 | V | 80 | Confident | 64.7 | Low | 75 Ų | 75 | 83.9 Ų | 83.9 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -127.3 | 154.6 | 179 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | L610 R776 | L610-V612 VanDerWaalsContact C-N 3.28Å; L610-V612 PolarHBondContact O-N 3.48Å; V612-R776 VanDerWaalsContact CG1-NH1 3.31Å |
| 613 | P | 75 | Confident | 63.5 | Low | 45 Ų | 45 | 85.5 Ų | 85.5 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | trans | -57.2 | 143.2 | 170.9 | -20 | 29.4 | 0 | 0 | 0 | 112.2 | W625 | P613-W625 HydrophobicContact CB-CB 4.37Å; P613-W625 HydrophobicContact CB-CD2 4.4Å; P613-W625 HydrophobicContact CB-CE3 4.46Å; P613-W625 HydrophobicContact CB-CG 4.39Å; P613-W625 HydrophobicContact CG-CD2 4.01Å; P613-W625 HydrophobicContact CG-CE3 3.66Å; P613-W625 HydrophobicContact CG-CG 4.49Å; P613-W625 HydrophobicContact CG-CZ3 4.06Å | ||
| 614 | T | 67.2 | Low | 62.7 | Low | 115 Ų | 115 | 87 Ų | 87 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -74.4 | -31.4 | 179.1 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | L610 | L610-T614 HydrophobicContact CD1-CG2 3.77Å; L610-T614 HydrophobicContact CD2-CG2 3.95Å |
| 615 | N | 59.7 | Low | 62.9 | Low | 108 Ų | 108 | 85.7 Ų | 85.7 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | trans | -99.4 | 103.3 | -175.5 | -149 | -9.8 | 0 | 0 | 0 | 110.9 | ||||
| 616 | K | 49.8 | Very low | 63.1 | Low | 182 Ų | 182 | 89.8 Ų | 89.8 | 79% | 0.791 | 48% | 0.478 | S | S | * | . | trans | -83.9 | -15.9 | 178.7 | -71.6 | -174.4 | 178.8 | -179.7 | 0 | 114.1 | ||||
| 617 | N | 40.9 | Very low | 63.9 | Low | 145 Ų | 145 | 87 Ų | 87 | 78% | 0.775 | 46% | 0.455 | S | S | * | . | trans | -95.4 | 6 | -164.7 | -83.4 | 0.1 | 0 | 0 | 0 | 116.5 | ||||
| 618 | F | 38.3 | Very low | 64.5 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | trans | -103.2 | 83 | 163.5 | -74.5 | -81.5 | 0 | 0 | 0 | 109.5 | R620 | F618-R620 PolarHBondContact O-N 2.82Š| ||
| 619 | S | 34.1 | Very low | 65 | Low | 118 Ų | 118 | 89.3 Ų | 89.3 | 83% | 0.825 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 104.5 | 156.5 | -49.2 | 0 | 0 | 0 | 0 | 107.8 | ||
| 620 | R | 31.2 | Very low | 65.2 | Low | 244 Ų | 244 | 90 Ų | 90 | 92% | 0.921 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.7 | 18.1 | 163.4 | -147.4 | -176.3 | -165.3 | 166.7 | 5.1 | 120.8 | F618 | F618-R620 PolarHBondContact O-N 2.82Š|
| 621 | I | 28.7 | Very low | 65.6 | Low | 131 Ų | 131 | 88.5 Ų | 88.5 | 67% | 0.672 | 45% | 0.451 | S | S | * | . | trans | -124.4 | 119.1 | 175.2 | -51.3 | -173.2 | 0 | 0 | 0 | 114.9 | ||||
| 622 | S | 34.8 | Very low | 66.2 | Low | 45 Ų | 45 | 84.6 Ų | 84.6 | 32% | 0.315 | 44% | 0.435 | S | S | . | . | trans | 3 | 150.7 | 157.1 | -32.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 623 | F | 57.5 | Low | 67 | Low | 53 Ų | 53 | 81.3 Ų | 81.3 | 23% | 0.232 | 42% | 0.415 | C | S | . | . | S | Bend | cis | -153.9 | 43.3 | -36.1 | -82.6 | -42.7 | 0 | 0 | 0 | 109.3 | R802 R803 S804 | F623-R802 WeakPolarHBondContact CD1-O 3.13Å; F623-R802 WeakPolarHBondContact CE1-O 3.46Å; F623-R803 VanDerWaalsContact CB-O 3.28Å; F623-R803 WeakPolarHBondContact CB-O 3.26Å; F623-R803 VanDerWaalsContact CD1-C 3.5Å; F623-R803 HydrophobicContact CD1-CB 3.47Å; F623-R803 VanDerWaalsContact CD1-CB 3.47Å; F623-R803 HydrophobicContact CD2-CB 3.61Å; F623-R803 HydrophobicContact CE1-CB 3.49Å; F623-R803 VanDerWaalsContact CE1-CB 3.49Å; F623-R803 HydrophobicContact CE1-CG 4.29Å; F623-R803 HydrophobicContact CE2-CB 3.6Å; F623-R803 HydrophobicContact CE2-CG 4.16Å; F623-R803 HydrophobicContact CG-CB 3.6Å; F623-R803 VanDerWaalsContact CG-O 3.26Å; F623-R803 WeakPolarHBondContact CG-O 3.48Å; F623-R803 HydrophobicContact CZ-CB 3.56Å; F623-R803 HydrophobicContact CZ-CG 4.03Å; F623-S804 VanDerWaalsContact O-CA 3.27Å; F623-S804 WeakPolarHBondContact O-CA 3.33Å; F623-S804 VanDerWaalsContact O-CB 3.28Å; F623-S804 WeakPolarHBondContact O-CB 3.36Å; F623-S804 PolarHBondContact O-OG 3.13Å |
| 624 | G | 70.7 | Confident | 68.1 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | trans | 163.1 | 172.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S804 | G624-S804 PolarHBondContact N-OG 2.97Š| ||
| 625 | W | 85.6 | Confident | 69.5 | Low | 20 Ų | 20 | 74 Ų | 74 | 8% | 0.076 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.6 | 171 | 65.7 | 96.7 | 0 | 0 | 0 | 111.7 | L610 P613 A627 K773 Q774 R776 Y801 | L610-W625 VanDerWaalsContact O-CZ2 3.29Å; L610-W625 WeakPolarHBondContact O-CZ2 3.06Å; L610-W625 PolarHBondContact O-NE1 2.92Å; P613-W625 HydrophobicContact CB-CB 4.37Å; P613-W625 HydrophobicContact CB-CD2 4.4Å; P613-W625 HydrophobicContact CB-CE3 4.46Å; P613-W625 HydrophobicContact CB-CG 4.39Å; P613-W625 HydrophobicContact CG-CD2 4.01Å; P613-W625 HydrophobicContact CG-CE3 3.66Å; P613-W625 HydrophobicContact CG-CG 4.49Å; P613-W625 HydrophobicContact CG-CZ3 4.06Å; W625-A627 PolarHBondContact O-N 2.63Å; W625-K773 CarbonylContact O-C 3.54Å; W625-K773 WeakPolarHBondContact O-CA 3.25Å; W625-Q774 HydrophobicContact CD2-CG 4.32Å; W625-Q774 VanDerWaalsContact CE2-NE2 3.32Å; W625-Q774 HydrophobicContact CG-CG 4.48Å; W625-Q774 HydrophobicContact CZ2-CG 4.19Å; W625-Q774 VanDerWaalsContact CZ2-NE2 3.33Å; W625-Q774 PolarHBondContact N-O 3.03Å; W625-Q774 PolarHBondContact O-N 3.28Å; W625-R776 HydrophobicContact CH2-CG 4.19Å; W625-Y801 HydrophobicContact CH2-CE2 4.18Å; W625-Y801 HydrophobicContact CZ3-CD2 4.11Å; W625-Y801 AromaticContact CZ3-CE2 3.72Å; W625-Y801 HydrophobicContact CZ3-CE2 3.72Å |
| 626 | E | 89.5 | Confident | 71.3 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 128.9 | 174.1 | -168.4 | 179.4 | 154.2 | 0 | 0 | 109.6 | H691 A771 | E626-H691 IonicContact OE1-CD2 3.85Å; E626-H691 IonicContact OE1-CE1 2.76Å; E626-H691 IonicContact OE1-NE2 3.56Å; E626-H691 PolarHBondContact OE1-NE2 2.77Å; E626-A771 HydrophobicContact CG-CB 4.01Å |
| 627 | A | 90.5 | Very high | 73.5 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 151.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | W625 L632 H691 L772 Q774 | W625-A627 PolarHBondContact O-N 2.63Å; A627-L632 HydrophobicContact CB-CD1 4.18Å; A627-L632 HydrophobicContact CB-CG 4.49Å; A627-H691 PolarHBondContact O-CE1 3.19Å; A627-L772 HydrophobicContact CB-CD2 4.25Å; A627-L772 HydrophobicContact CB-CG 4.18Å; A627-L772 PolarHBondContact N-O 2.92Å; A627-Q774 HydrophobicContact CB-CG 4.16Å |
| 628 | R | 89.7 | Confident | 76.2 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 135.9 | 167.6 | 177.7 | -177.4 | -73.1 | 172.4 | -5.7 | 107.4 | I607 S608 L610 N630 S631 | I607-R628 HydrophobicContact CG2-CG 3.92Å; S608-R628 PolarHBondContact O-NH1 2.94Å; L610-R628 HydrophobicContact CD1-CB 4.36Å; L610-R628 HydrophobicContact CG-CB 4.26Å; R628-N630 PolarHBondContact O-N 3.29Å; R628-S631 PolarHBondContact N-OG 2.71Å; R628-S631 VanDerWaalsContact O-CB 3.22Å; R628-S631 WeakPolarHBondContact O-CB 3.35Å; R628-S631 PolarHBondContact O-N 2.63Å; R628-S631 PolarHBondContact O-OG 3.16Å |
| 629 | P | 90.7 | Very high | 78.9 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 129.6 | -179.6 | -30.7 | 34.8 | 0 | 0 | 0 | 112.2 | S631 H691 | P629-S631 PolarHBondContact O-N 3.05Å; P629-H691 HydrophobicContact CB-CB 4.38Å |
| 630 | N | 90.4 | Very high | 81.7 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 16 | 178.6 | -48.4 | 105.2 | 0 | 0 | 0 | 115.6 | I607 R628 L632 G689 E736 | I607-N630 HydrophobicContact CD1-CB 4.08Å; R628-N630 PolarHBondContact O-N 3.29Å; N630-L632 VanDerWaalsContact C-N 3.3Å; N630-L632 PolarHBondContact O-N 3.15Å; N630-G689 PolarHBondContact ND2-O 3.46Å; N630-E736 HydrophobicContact CB-CB 4.02Å; N630-E736 HydrophobicContact CB-CG 3.84Å |
| 631 | S | 91 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -76.7 | -15 | 176.7 | 64.6 | 0 | 0 | 0 | 0 | 114.5 | P605 I607 P609 R628 P629 P633 | P605-S631 WeakPolarHBondContact CB-O 3.4Å; I607-S631 WeakPolarHBondContact O-CA 3.22Å; I607-S631 WeakPolarHBondContact O-CB 3.27Å; P609-S631 WeakPolarHBondContact CG-O 3.42Å; R628-S631 PolarHBondContact N-OG 2.71Å; R628-S631 VanDerWaalsContact O-CB 3.22Å; R628-S631 WeakPolarHBondContact O-CB 3.35Å; R628-S631 PolarHBondContact O-N 2.63Å; R628-S631 PolarHBondContact O-OG 3.16Å; P629-S631 PolarHBondContact O-N 3.05Å; S631-P633 VanDerWaalsContact O-CD 3.24Å; S631-P633 WeakPolarHBondContact O-CD 2.88Å |
| 632 | L | 96.1 | Very high | 86.9 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -115.8 | 70.5 | 174 | -58.4 | -179.5 | 0 | 0 | 0 | 109.9 | P609 A627 N630 W634 M635 A758 L772 Q774 F816 | P609-L632 HydrophobicContact CB-CD2 4.07Å; P609-L632 HydrophobicContact CG-CD2 3.89Å; A627-L632 HydrophobicContact CB-CD1 4.18Å; A627-L632 HydrophobicContact CB-CG 4.49Å; N630-L632 VanDerWaalsContact C-N 3.3Å; N630-L632 PolarHBondContact O-N 3.15Å; L632-W634 HydrophobicContact CD2-CH2 4.38Å; L632-W634 HydrophobicContact CD2-CZ2 3.72Å; L632-W634 PolarHBondContact O-N 3.32Å; L632-W634 VanDerWaalsContact O-N 3.15Å; L632-M635 HydrophobicContact CB-CG 3.69Å; L632-M635 HydrophobicContact CD1-CG 4.37Å; L632-M635 WeakPolarHBondContact O-CB 3.01Å; L632-M635 WeakPolarHBondContact O-CG 3.49Å; L632-M635 PolarHBondContact O-N 3.26Å; L632-M635 VanDerWaalsContact O-N 3.16Å; L632-A758 HydrophobicContact CD1-CB 3.45Å; L632-A758 VanDerWaalsContact CD1-CB 3.45Å; L632-L772 HydrophobicContact CB-CD2 4.07Å; L632-L772 HydrophobicContact CD1-CD2 4.07Å; L632-Q774 HydrophobicContact CD1-CB 4.24Å; L632-F816 HydrophobicContact CD1-CZ 3.97Å; L632-F816 HydrophobicContact CD2-CE2 3.74Å; L632-F816 HydrophobicContact CD2-CZ 3.7Å; L632-F816 HydrophobicContact CG-CZ 4.49Å |
| 633 | P | 95.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6.6 | -166.8 | 33.2 | -40.6 | 0 | 0 | 0 | 114.6 | P605 S631 E736 I737 S738 | P605-P633 HydrophobicContact CB-CG 3.86Å; S631-P633 VanDerWaalsContact O-CD 3.24Å; S631-P633 WeakPolarHBondContact O-CD 2.88Å; P633-E736 WeakPolarHBondContact CA-O 3.48Å; P633-E736 VanDerWaalsContact CB-O 3.28Å; P633-E736 WeakPolarHBondContact CB-O 3.26Å; P633-I737 WeakPolarHBondContact O-CA 3.36Å; P633-S738 CarbonylContact C-O 3.55Å; P633-S738 VanDerWaalsContact C-O 3.31Å; P633-S738 WeakPolarHBondContact CB-OG 3.47Å; P633-S738 WeakPolarHBondContact CG-OG 3.48Å; P633-S738 PolarHBondContact O-N 3.34Å |
| 634 | W | 97.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10.5 | 174.2 | 48.1 | 80.8 | 0 | 0 | 0 | 113.1 | P605 L632 F652 L653 S738 V740 F816 Y823 | P605-W634 HydrophobicContact CB-CH2 4.41Å; P605-W634 HydrophobicContact CB-CZ3 4.08Å; P605-W634 HydrophobicContact CG-CH2 4.19Å; P605-W634 HydrophobicContact CG-CZ3 4.2Å; L632-W634 HydrophobicContact CD2-CH2 4.38Å; L632-W634 HydrophobicContact CD2-CZ2 3.72Å; L632-W634 PolarHBondContact O-N 3.32Å; L632-W634 VanDerWaalsContact O-N 3.15Å; W634-F652 CarbonylContact O-C 3.47Å; W634-F652 WeakPolarHBondContact O-CA 3.24Å; W634-L653 PolarHBondContact O-N 3.35Å; W634-S738 WeakPolarHBondContact CA-O 3.27Å; W634-S738 WeakPolarHBondContact CB-O 3.42Å; W634-S738 PolarHBondContact N-O 2.91Å; W634-V740 HydrophobicContact CB-CB 3.89Å; W634-V740 HydrophobicContact CB-CG1 4.22Å; W634-V740 HydrophobicContact CD2-CB 3.74Å; W634-V740 HydrophobicContact CD2-CG2 4.2Å; W634-V740 HydrophobicContact CE3-CB 4.1Å; W634-V740 HydrophobicContact CG-CB 3.64Å; W634-V740 HydrophobicContact CG-CG1 4.22Å; W634-V740 HydrophobicContact CG-CG2 4.45Å; W634-F816 AromaticContact CZ2-CD2 3.79Å; W634-F816 HydrophobicContact CZ2-CD2 3.79Å; W634-F816 AromaticContact CZ2-CE2 3.87Å; W634-F816 HydrophobicContact CZ2-CE2 3.87Å; W634-F816 HydrophobicContact CZ2-CG 4.41Å; W634-Y823 HydrophobicContact CH2-CD1 4.49Å; W634-Y823 AromaticContact CH2-CD2 3.63Å; W634-Y823 HydrophobicContact CH2-CD2 3.63Å; W634-Y823 HydrophobicContact CH2-CE2 4.42Å; W634-Y823 AromaticContact CH2-CG 3.66Å; W634-Y823 HydrophobicContact CH2-CG 3.66Å; W634-Y823 HydrophobicContact CZ2-CD2 4.45Å; W634-Y823 HydrophobicContact CZ2-CG 4.1Å; W634-Y823 HydrophobicContact CZ3-CD2 4.41Å |
| 635 | M | 97.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 136.2 | -176.1 | -67.9 | -59.2 | -58.9 | 0 | 0 | 111.6 | L632 A758 W760 L772 P814 | L632-M635 HydrophobicContact CB-CG 3.69Å; L632-M635 HydrophobicContact CD1-CG 4.37Å; L632-M635 WeakPolarHBondContact O-CB 3.01Å; L632-M635 WeakPolarHBondContact O-CG 3.49Å; L632-M635 PolarHBondContact O-N 3.26Å; L632-M635 VanDerWaalsContact O-N 3.16Å; M635-A758 HydrophobicContact CE-CB 4.19Å; M635-A758 WeakPolarHBondContact CE-O 3.48Å; M635-A758 HydrophobicContact SD-CB 4.19Å; M635-W760 HydrophobicContact CB-CH2 3.68Å; M635-W760 HydrophobicContact CB-CZ3 4.08Å; M635-W760 HydrophobicContact CE-CZ3 4.23Å; M635-L772 HydrophobicContact CB-CD2 4.24Å; M635-L772 HydrophobicContact CE-CD1 4.31Å; M635-L772 HydrophobicContact CG-CD1 4.46Å; M635-L772 HydrophobicContact CG-CD2 3.99Å; M635-P814 HydrophobicContact SD-CG 3.92Å |
| 636 | V | 97.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.8 | -178.6 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | I638 S650 G651 L653 V665 I686 F687 L688 | V636-I638 HydrophobicContact CG1-CG1 4.01Å; V636-S650 CarbonylContact O-C 3.31Å; V636-S650 WeakPolarHBondContact O-CA 3.36Å; V636-G651 PolarHBondContact N-O 3.27Å; V636-G651 PolarHBondContact O-N 3.07Å; V636-L653 HydrophobicContact CG2-CB 4.45Å; V636-V665 HydrophobicContact CB-CG1 4.31Å; V636-V665 HydrophobicContact CG1-CG1 4.08Å; V636-V665 HydrophobicContact CG2-CG1 4.25Å; V636-V665 HydrophobicContact CG2-CG2 4.14Å; V636-I686 HydrophobicContact CG1-CG2 3.28Å; V636-F687 WeakPolarHBondContact CA-O 3.08Å; V636-L688 HydrophobicContact CG2-CD2 3.92Å; V636-L688 HydrophobicContact CG2-CG 4.13Å |
| 637 | H | 96.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.6 | 169.4 | -178.3 | 69.8 | 0 | 0 | 0 | 109.6 | F687 L693 W760 | H637-F687 HydrophobicContact CB-CB 4.21Å; H637-F687 PolarHBondContact N-O 2.98Å; H637-F687 PolarHBondContact O-N 2.84Å; H637-L693 HydrophobicContact CB-CD2 4.16Å; H637-W760 HydrophobicContact CB-CE3 4.14Å; H637-W760 HydrophobicContact CB-CH2 4.5Å; H637-W760 HydrophobicContact CB-CZ3 4.03Å |
| 638 | I | 96.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.2 | -176.5 | -57.1 | -179.6 | 0 | 0 | 0 | 108.7 | V636 T648 C649 T667 F684 I686 L725 | V636-I638 HydrophobicContact CG1-CG1 4.01Å; I638-T648 WeakPolarHBondContact O-CA 3.45Å; I638-C649 HydrophobicContact CB-CB 4.2Å; I638-C649 PolarHBondContact N-O 3.3Å; I638-C649 PolarHBondContact O-N 3.14Å; I638-T667 HydrophobicContact CD1-CG2 3.7Å; I638-F684 HydrophobicContact CG2-CD1 4.07Å; I638-I686 HydrophobicContact CB-CD1 4.4Å; I638-I686 HydrophobicContact CD1-CD1 4.43Å; I638-I686 HydrophobicContact CG1-CD1 3.97Å; I638-I686 HydrophobicContact CG2-CD1 3.98Å; I638-L725 HydrophobicContact CD1-CD1 4.07Å |
| 639 | L | 94.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.4 | 177.3 | -179.4 | 62.2 | 0 | 0 | 0 | 109.1 | Y641 R646 T648 F684 L685 F687 | L639-Y641 HydrophobicContact CD1-CE2 4.31Å; L639-Y641 HydrophobicContact CD2-CE2 3.68Å; L639-Y641 WeakPolarHBondContact CD2-OH 3.49Å; L639-Y641 HydrophobicContact CG-CD2 4.41Å; L639-Y641 HydrophobicContact CG-CE2 3.65Å; L639-R646 HydrophobicContact CD1-CG 3.58Å; L639-T648 HydrophobicContact CD1-CG2 4.21Å; L639-F684 CarbonylContact O-C 3.22Å; L639-F684 WeakPolarHBondContact O-CA 3.48Å; L639-L685 HydrophobicContact CB-CB 4.37Å; L639-L685 PolarHBondContact N-O 3.32Å; L639-L685 PolarHBondContact O-N 3.05Å; L639-F687 HydrophobicContact CB-CD2 4.48Å; L639-F687 HydrophobicContact CB-CE2 3.99Å; L639-F687 HydrophobicContact CD2-CE2 3.94Å; L639-F687 HydrophobicContact CD2-CZ 4.41Å |
| 640 | A | 92.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F647 M679 S683 F684 | A640-F647 HydrophobicContact CB-CB 4.28Å; A640-F647 PolarHBondContact N-O 2.83Å; A640-F647 PolarHBondContact O-N 3.08Å; A640-M679 HydrophobicContact CB-CE 4.35Å; A640-S683 CarbonylContact C-O 3.59Å; A640-S683 WeakPolarHBondContact CA-O 3.25Å; A640-F684 HydrophobicContact CB-CD1 3.66Å; A640-F684 HydrophobicContact CB-CE1 3.7Å |
| 641 | Y | 88.1 | Confident | 91.7 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 43% | 0.431 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.2 | 177.1 | -65.8 | -85.1 | 0 | 0 | 0 | 110.9 | L639 T645 R646 S683 L685 | L639-Y641 HydrophobicContact CD1-CE2 4.31Å; L639-Y641 HydrophobicContact CD2-CE2 3.68Å; L639-Y641 WeakPolarHBondContact CD2-OH 3.49Å; L639-Y641 HydrophobicContact CG-CD2 4.41Å; L639-Y641 HydrophobicContact CG-CE2 3.65Å; Y641-T645 WeakPolarHBondContact CA-O 3.39Å; Y641-R646 HydrophobicContact CD1-CB 4.38Å; Y641-R646 HydrophobicContact CE1-CB 4.19Å; Y641-R646 HydrophobicContact CE1-CG 4.14Å; Y641-S683 PolarHBondContact N-O 2.62Å; Y641-S683 VanDerWaalsContact O-CB 3.31Å; Y641-S683 WeakPolarHBondContact O-CB 3.09Å; Y641-S683 PolarHBondContact O-OG 2.86Å; Y641-L685 HydrophobicContact CE2-CD1 4.31Å |
| 642 | E | 82.1 | Confident | 92.1 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 126.6 | 177.7 | -168.7 | 66.7 | -154.2 | 0 | 0 | 108.9 | R644 T645 F647 Y674 M679 S683 | E642-R644 PolarHBondContact O-N 3.33Å; E642-R644 VanDerWaalsContact O-N 3.14Å; E642-T645 PolarHBondContact N-O 3.2Å; E642-T645 WeakPolarHBondContact O-CA 3.42Å; E642-T645 WeakPolarHBondContact O-CB 3.31Å; E642-T645 PolarHBondContact O-N 3.32Å; E642-F647 HydrophobicContact CB-CE2 3.99Å; E642-Y674 HydrophobicContact CG-CD1 4.24Å; E642-M679 HydrophobicContact CB-CG 4.36Å; E642-M679 HydrophobicContact CB-SD 3.69Å; E642-M679 HydrophobicContact CG-CG 4.09Å; E642-M679 HydrophobicContact CG-SD 4.05Å; E642-S683 PolarHBondContact OE2-OG 2.82Å |
| 643 | N | 81.6 | Confident | 92.2 | Very high | 134 Ų | 134 | 44.5 Ų | 44.5 | 72% | 0.717 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 43 | -178.3 | -65 | -43.4 | 0 | 0 | 0 | 114.4 | T645 | N643-T645 PolarHBondContact O-N 2.82Å; N643-T645 VanDerWaalsContact O-N 3.12Å |
| 644 | R | 77.4 | Confident | 92.1 | Very high | 254 Ų | 254 | 44.4 Ų | 44.4 | 96% | 0.958 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 6.6 | -174.8 | -53 | -177.4 | 178.5 | -167.8 | -0.5 | 115.5 | E642 | E642-R644 PolarHBondContact O-N 3.33Å; E642-R644 VanDerWaalsContact O-N 3.14Å |
| 645 | T | 84.1 | Confident | 91.6 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 41% | 0.405 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.8 | 171.9 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | Y641 E642 N643 F647 | Y641-T645 WeakPolarHBondContact CA-O 3.39Å; E642-T645 PolarHBondContact N-O 3.2Å; E642-T645 WeakPolarHBondContact O-CA 3.42Å; E642-T645 WeakPolarHBondContact O-CB 3.31Å; E642-T645 PolarHBondContact O-N 3.32Å; N643-T645 PolarHBondContact O-N 2.82Å; N643-T645 VanDerWaalsContact O-N 3.12Å; T645-F647 HydrophobicContact CG2-CD2 4.43Å; T645-F647 HydrophobicContact CG2-CE1 4.16Å; T645-F647 HydrophobicContact CG2-CE2 3.69Å; T645-F647 HydrophobicContact CG2-CZ 3.54Å |
| 646 | R | 87.4 | Confident | 90.8 | Very high | 149 Ų | 149 | 47.1 Ų | 47.1 | 56% | 0.562 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.3 | 178.6 | 179.3 | -178.4 | 170 | 173.8 | 4.4 | 109.7 | L639 Y641 | L639-R646 HydrophobicContact CD1-CG 3.58Å; Y641-R646 HydrophobicContact CD1-CB 4.38Å; Y641-R646 HydrophobicContact CE1-CB 4.19Å; Y641-R646 HydrophobicContact CE1-CG 4.14Å |
| 647 | F | 89.3 | Confident | 89.4 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 25% | 0.254 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146 | 173.8 | -57.2 | -91 | 0 | 0 | 0 | 110.1 | A640 E642 T645 Y674 | A640-F647 HydrophobicContact CB-CB 4.28Å; A640-F647 PolarHBondContact N-O 2.83Å; A640-F647 PolarHBondContact O-N 3.08Å; E642-F647 HydrophobicContact CB-CE2 3.99Å; T645-F647 HydrophobicContact CG2-CD2 4.43Å; T645-F647 HydrophobicContact CG2-CE1 4.16Å; T645-F647 HydrophobicContact CG2-CE2 3.69Å; T645-F647 HydrophobicContact CG2-CZ 3.54Å; F647-Y674 AromaticContact CE1-CD2 3.98Å; F647-Y674 HydrophobicContact CE1-CD2 3.98Å; F647-Y674 AromaticContact CE1-CE2 3.92Å; F647-Y674 HydrophobicContact CE1-CE2 3.92Å; F647-Y674 AromaticContact CZ-CD2 3.79Å; F647-Y674 HydrophobicContact CZ-CD2 3.79Å; F647-Y674 HydrophobicContact CZ-CE1 4.43Å; F647-Y674 AromaticContact CZ-CE2 3.64Å; F647-Y674 HydrophobicContact CZ-CE2 3.64Å; F647-Y674 HydrophobicContact CZ-CG 4.26Å; F647-Y674 AromaticContact CZ-CZ 3.99Å |
| 648 | T | 91.7 | Very high | 87.7 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.1 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | I638 L639 | I638-T648 WeakPolarHBondContact O-CA 3.45Å; L639-T648 HydrophobicContact CD1-CG2 4.21Å |
| 649 | C | 95.2 | Very high | 86 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 10% | 0.095 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 174.3 | 172.1 | -81.8 | 0 | 0 | 0 | 0 | 110 | I638 C671 G809 | I638-C649 HydrophobicContact CB-CB 4.2Å; I638-C649 PolarHBondContact N-O 3.3Å; I638-C649 PolarHBondContact O-N 3.14Å; C649-C671 HydrophobicContact CB-CB 3.75Å; C649-C671 WeakPolarHBondContact CB-SG 3.35Å; C649-C671 WeakPolarHBondContact SG-CB 3.3Å; C649-C671 CovalentContact SG-SG 2.04Å; C649-C671 PolarHBondContact SG-SG 3.29Å; C649-G809 CarbonylContact C-O 3.53Å |
| 650 | S | 95.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 164.9 | 171.3 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | V636 T667 G809 S811 G812 | V636-S650 CarbonylContact O-C 3.31Å; V636-S650 WeakPolarHBondContact O-CA 3.36Å; S650-T667 PolarHBondContact O-OG1 2.66Å; S650-G809 PolarHBondContact N-O 3.07Å; S650-G809 PolarHBondContact OG-O 2.95Å; S650-S811 CarbonylContact C-O 3.53Å; S650-S811 PolarHBondContact N-O 3.12Å; S650-G812 CarbonylContact O-C 3.59Å; S650-G812 VanDerWaalsContact O-C 3.29Å; S650-G812 WeakPolarHBondContact O-CA 3.36Å |
| 651 | G | 97.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | -171.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V636 V666 | V636-G651 PolarHBondContact N-O 3.27Å; V636-G651 PolarHBondContact O-N 3.07Å; G651-V666 CarbonylContact C-O 3.51Å; G651-V666 VanDerWaalsContact CA-O 3.23Å; G651-V666 WeakPolarHBondContact CA-O 3.17Å |
| 652 | F | 98.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 144.9 | 175.8 | 55.2 | -81.5 | 0 | 0 | 0 | 113.4 | W634 I654 V665 V666 V740 P814 A825 V828 | W634-F652 CarbonylContact O-C 3.47Å; W634-F652 WeakPolarHBondContact O-CA 3.24Å; F652-I654 HydrophobicContact CD2-CG2 3.63Å; F652-I654 HydrophobicContact CE2-CG2 3.6Å; F652-V665 WeakPolarHBondContact O-CA 3.2Å; F652-V666 HydrophobicContact CD1-CB 4.38Å; F652-V666 HydrophobicContact CD2-CB 4.2Å; F652-V666 HydrophobicContact CE1-CB 3.89Å; F652-V666 HydrophobicContact CE1-CG1 3.87Å; F652-V666 HydrophobicContact CE2-CB 3.68Å; F652-V666 HydrophobicContact CE2-CG1 4.13Å; F652-V666 HydrophobicContact CE2-CG2 4.08Å; F652-V666 HydrophobicContact CZ-CB 3.52Å; F652-V666 HydrophobicContact CZ-CG1 3.5Å; F652-V666 VanDerWaalsContact CZ-CG1 3.5Å; F652-V666 HydrophobicContact CZ-CG2 4.3Å; F652-V666 PolarHBondContact N-O 3.4Å; F652-V666 PolarHBondContact O-N 3.18Å; F652-V740 HydrophobicContact CB-CG1 4.38Å; F652-V740 HydrophobicContact CD2-CG1 3.51Å; F652-V740 HydrophobicContact CE2-CG1 4.18Å; F652-V740 HydrophobicContact CG-CG1 4.3Å; F652-P814 HydrophobicContact CB-CB 4.24Å; F652-P814 HydrophobicContact CB-CG 3.79Å; F652-P814 HydrophobicContact CD1-CB 3.52Å; F652-P814 HydrophobicContact CD1-CG 3.81Å; F652-P814 HydrophobicContact CD2-CB 4.3Å; F652-P814 HydrophobicContact CE1-CB 3.82Å; F652-P814 HydrophobicContact CG-CB 3.76Å; F652-P814 HydrophobicContact CG-CG 3.88Å; F652-P814 HydrophobicContact CZ-CB 4.31Å; F652-A825 HydrophobicContact CD2-CB 4.08Å; F652-A825 HydrophobicContact CE2-CB 3.53Å; F652-A825 HydrophobicContact CZ-CB 3.97Å; F652-V828 HydrophobicContact CE1-CG1 4.48Å; F652-V828 HydrophobicContact CE1-CG2 3.93Å; F652-V828 HydrophobicContact CZ-CG2 3.9Å |
| 653 | L | 98 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.1 | 175.2 | -170.6 | 74.7 | 0 | 0 | 0 | 109.8 | W634 V636 I664 V665 L688 Y733 I737 P739 V740 | W634-L653 PolarHBondContact O-N 3.35Å; V636-L653 HydrophobicContact CG2-CB 4.45Å; L653-I664 WeakPolarHBondContact CD1-O 3.17Å; L653-V665 HydrophobicContact CD1-CG2 4.23Å; L653-L688 HydrophobicContact CB-CD2 4.46Å; L653-L688 HydrophobicContact CD1-CD2 4.05Å; L653-L688 HydrophobicContact CD2-CD2 4.37Å; L653-Y733 HydrophobicContact CD2-CE1 4.4Å; L653-I737 HydrophobicContact CD2-CG2 3.83Å; L653-P739 HydrophobicContact CG-CB 4.4Å; L653-P739 VanDerWaalsContact O-CA 3.27Å; L653-P739 WeakPolarHBondContact O-CA 3.06Å; L653-V740 PolarHBondContact O-N 3.09Å |
| 654 | I | 94.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 163 | 172.1 | 62.5 | 166.2 | 0 | 0 | 0 | 110.2 | F652 S662 I664 V666 P739 V740 L742 M860 | F652-I654 HydrophobicContact CD2-CG2 3.63Å; F652-I654 HydrophobicContact CE2-CG2 3.6Å; I654-S662 VanDerWaalsContact O-CB 3.29Å; I654-S662 WeakPolarHBondContact O-CB 3.45Å; I654-S662 PolarHBondContact O-OG 2.74Å; I654-I664 HydrophobicContact CD1-CB 4.45Å; I654-I664 HydrophobicContact CD1-CG2 3.72Å; I654-I664 HydrophobicContact CG1-CB 4Å; I654-I664 HydrophobicContact CG1-CG2 3.68Å; I654-I664 PolarHBondContact N-O 2.84Å; I654-V666 HydrophobicContact CD1-CG2 3.7Å; I654-V666 HydrophobicContact CG1-CG2 4.04Å; I654-V666 HydrophobicContact CG2-CG2 3.86Å; I654-P739 VanDerWaalsContact C-CB 3.4Å; I654-V740 HydrophobicContact CG2-CG1 4.39Å; I654-L742 HydrophobicContact CG2-CD1 4.25Å; I654-M860 HydrophobicContact CD1-SD 3.92Å |
| 655 | D | 86.4 | Confident | 86.4 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | trans | -70.6 | 131.5 | 173.9 | -165.9 | -7.3 | 0 | 0 | 0 | 110 | C602 G657 Y733 P739 | C602-D655 HydrophobicContact CB-CB 4.42Å; D655-G657 PolarHBondContact OD1-N 3.42Å; D655-Y733 PolarHBondContact OD1-OH 3.5Å; D655-P739 HydrophobicContact CB-CB 4.36Å; D655-P739 HydrophobicContact CB-CG 4.17Å | ||
| 656 | S | 80.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | trans | -105.1 | 6.4 | 178.3 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | L658 D663 | S656-L658 VanDerWaalsContact C-N 3.27Å; S656-D663 WeakPolarHBondContact CB-OD1 3.15Å; S656-D663 PolarHBondContact OG-N 3.26Å; S656-D663 PolarHBondContact OG-OD1 3.37Å | ||
| 657 | G | 68.9 | Low | 87.5 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 68% | 0.68 | 16% | 0.16 | S | C | * | . | S | Bend | trans | 79 | 7.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D655 | D655-G657 PolarHBondContact OD1-N 3.42Š|
| 658 | L | 60.6 | Low | 87.9 | Confident | 40 Ų | 40 | 23.7 Ų | 23.7 | 21% | 0.209 | 15% | 0.148 | C | C | . | . | trans | -82.3 | 142 | 172.5 | -61.8 | 174.9 | 0 | 0 | 0 | 110.2 | S656 N660 Q661 D663 P730 | S656-L658 VanDerWaalsContact C-N 3.27Å; L658-N660 PolarHBondContact O-N 2.89Å; L658-Q661 HydrophobicContact CB-CG 3.66Å; L658-Q661 WeakPolarHBondContact CB-O 3.46Å; L658-Q661 HydrophobicContact CD1-CG 4.19Å; L658-Q661 VanDerWaalsContact O-O 3.06Å; L658-D663 HydrophobicContact CD1-CB 4.45Å; L658-P730 HydrophobicContact CD1-CB 4.29Å; L658-P730 HydrophobicContact CD1-CG 4.15Å | ||
| 659 | V | 61.7 | Low | 88 | Confident | 116 Ų | 116 | 20.8 Ų | 20.8 | 70% | 0.703 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 117.3 | -179.1 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | V599 Q661 | V599-V659 HydrophobicContact CG2-CG1 4.38Å; V659-Q661 PolarHBondContact O-N 3.26Å; V659-Q661 VanDerWaalsContact O-N 3.13Å |
| 660 | N | 67.3 | Low | 87.9 | Confident | 74 Ų | 74 | 22.2 Ų | 22.2 | 40% | 0.396 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 23.2 | 174.8 | -162.7 | 39.7 | 0 | 0 | 0 | 115.2 | L658 Y733 | L658-N660 PolarHBondContact O-N 2.89Å; N660-Y733 VanDerWaalsContact C-CD2 3.46Å; N660-Y733 PolarHBondContact O-N 2.97Å |
| 661 | Q | 79.9 | Confident | 87.8 | Confident | 56 Ų | 56 | 22.6 Ų | 22.6 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 161.3 | 178 | 64.4 | -171.1 | 24.9 | 0 | 0 | 110.6 | L658 V659 P730 V731 R732 Y733 | L658-Q661 HydrophobicContact CB-CG 3.66Å; L658-Q661 WeakPolarHBondContact CB-O 3.46Å; L658-Q661 HydrophobicContact CD1-CG 4.19Å; L658-Q661 VanDerWaalsContact O-O 3.06Å; V659-Q661 PolarHBondContact O-N 3.26Å; V659-Q661 VanDerWaalsContact O-N 3.13Å; Q661-P730 HydrophobicContact CB-CB 4.35Å; Q661-P730 HydrophobicContact CG-CB 4.15Å; Q661-V731 CarbonylContact C-O 3.55Å; Q661-V731 WeakPolarHBondContact CA-O 3.23Å; Q661-V731 VanDerWaalsContact CB-O 3.26Å; Q661-V731 WeakPolarHBondContact CB-O 3.35Å; Q661-R732 HydrophobicContact CB-CG 4.46Å; Q661-Y733 VanDerWaalsContact C-CZ 3.42Å; Q661-Y733 PolarHBondContact O-OH 2.8Å; Q661-Y733 VanDerWaalsContact O-OH 3.08Å |
| 662 | S | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.7 | 171.1 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I654 I664 V731 Y733 | I654-S662 VanDerWaalsContact O-CB 3.29Å; I654-S662 WeakPolarHBondContact O-CB 3.45Å; I654-S662 PolarHBondContact O-OG 2.74Å; S662-I664 PolarHBondContact OG-N 3.47Å; S662-V731 PolarHBondContact N-O 3.23Å; S662-V731 PolarHBondContact O-N 3.49Å; S662-Y733 WeakPolarHBondContact CB-OH 2.88Å |
| 663 | D | 93.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 14.4 | 178.7 | 60.3 | -11.7 | 0 | 0 | 0 | 113 | S656 L658 R726 L727 P730 | S656-D663 WeakPolarHBondContact CB-OD1 3.15Å; S656-D663 PolarHBondContact OG-N 3.26Å; S656-D663 PolarHBondContact OG-OD1 3.37Å; L658-D663 HydrophobicContact CD1-CB 4.45Å; D663-R726 CarbonylContact O-C 3.57Å; D663-R726 WeakPolarHBondContact O-CA 3.43Å; D663-R726 IonicContact OD1-NH1 2.69Å; D663-R726 IonicContact OD2-CZ 3.96Å; D663-R726 IonicContact OD2-NE 2.59Å; D663-R726 IonicContact OD2-NH1 2.72Å; D663-R726 PolarHBondContact OD2-NH1 2.84Å; D663-R726 IonicContact OD2-NH2 2.8Å; D663-R726 PolarHBondContact OD2-NH2 3.21Å; D663-L727 HydrophobicContact CB-CB 4.43Å; D663-L727 PolarHBondContact O-N 3.38Å; D663-P730 HydrophobicContact CB-CB 4.18Å; D663-P730 HydrophobicContact CB-CG 4.16Å |
| 664 | I | 96.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125 | -176.9 | -57.2 | -67.1 | 0 | 0 | 0 | 111.5 | L653 I654 S662 L724 R726 M860 L863 | L653-I664 WeakPolarHBondContact CD1-O 3.17Å; I654-I664 HydrophobicContact CD1-CB 4.45Å; I654-I664 HydrophobicContact CD1-CG2 3.72Å; I654-I664 HydrophobicContact CG1-CB 4Å; I654-I664 HydrophobicContact CG1-CG2 3.68Å; I654-I664 PolarHBondContact N-O 2.84Å; S662-I664 PolarHBondContact OG-N 3.47Å; I664-L724 HydrophobicContact CG2-CD2 4.31Å; I664-L724 HydrophobicContact CG2-CG 4.14Å; I664-R726 HydrophobicContact CD1-CB 4.04Å; I664-R726 HydrophobicContact CD1-CG 3.99Å; I664-M860 HydrophobicContact CB-CG 4.49Å; I664-M860 HydrophobicContact CB-SD 4.2Å; I664-M860 HydrophobicContact CD1-CG 4.11Å; I664-M860 HydrophobicContact CG1-CG 3.9Å; I664-M860 HydrophobicContact CG1-SD 3.86Å; I664-M860 HydrophobicContact CG2-CG 4.02Å; I664-M860 HydrophobicContact CG2-SD 4.04Å; I664-L863 HydrophobicContact CD1-CD1 4.46Å |
| 665 | V | 98.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.6 | 173.9 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | V636 F652 L653 I686 L725 L727 | V636-V665 HydrophobicContact CB-CG1 4.31Å; V636-V665 HydrophobicContact CG1-CG1 4.08Å; V636-V665 HydrophobicContact CG2-CG1 4.25Å; V636-V665 HydrophobicContact CG2-CG2 4.14Å; F652-V665 WeakPolarHBondContact O-CA 3.2Å; L653-V665 HydrophobicContact CD1-CG2 4.23Å; V665-I686 HydrophobicContact CG2-CG2 4.25Å; V665-L725 HydrophobicContact CB-CB 4.35Å; V665-L725 HydrophobicContact CG1-CD1 4.48Å; V665-L725 PolarHBondContact N-O 3.32Å; V665-L725 PolarHBondContact O-N 2.8Å; V665-L727 HydrophobicContact CG2-CD1 4.16Å; V665-L727 HydrophobicContact CG2-CD2 4.09Å; V665-L727 HydrophobicContact CG2-CG 4.29Å |
| 666 | V | 98.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.9 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | G651 F652 I654 I722 L724 V828 | G651-V666 CarbonylContact C-O 3.51Å; G651-V666 VanDerWaalsContact CA-O 3.23Å; G651-V666 WeakPolarHBondContact CA-O 3.17Å; F652-V666 HydrophobicContact CD1-CB 4.38Å; F652-V666 HydrophobicContact CD2-CB 4.2Å; F652-V666 HydrophobicContact CE1-CB 3.89Å; F652-V666 HydrophobicContact CE1-CG1 3.87Å; F652-V666 HydrophobicContact CE2-CB 3.68Å; F652-V666 HydrophobicContact CE2-CG1 4.13Å; F652-V666 HydrophobicContact CE2-CG2 4.08Å; F652-V666 HydrophobicContact CZ-CB 3.52Å; F652-V666 HydrophobicContact CZ-CG1 3.5Å; F652-V666 VanDerWaalsContact CZ-CG1 3.5Å; F652-V666 HydrophobicContact CZ-CG2 4.3Å; F652-V666 PolarHBondContact N-O 3.4Å; F652-V666 PolarHBondContact O-N 3.18Å; I654-V666 HydrophobicContact CD1-CG2 3.7Å; I654-V666 HydrophobicContact CG1-CG2 4.04Å; I654-V666 HydrophobicContact CG2-CG2 3.86Å; V666-I722 HydrophobicContact CG1-CD1 4.1Å; V666-I722 HydrophobicContact CG1-CG1 4.08Å; V666-L724 HydrophobicContact CG1-CD1 4.49Å; V666-L724 HydrophobicContact CG2-CD1 4.02Å; V666-L724 HydrophobicContact CG2-CG 4.31Å; V666-V828 HydrophobicContact CG1-CG2 3.84Å |
| 667 | T | 97.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | -174.8 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | I638 S650 V723 L725 G812 | I638-T667 HydrophobicContact CD1-CG2 3.7Å; S650-T667 PolarHBondContact O-OG1 2.66Å; T667-V723 HydrophobicContact CG2-CG1 3.32Å; T667-V723 PolarHBondContact N-O 3.4Å; T667-V723 VanDerWaalsContact N-O 3.15Å; T667-V723 PolarHBondContact O-N 3.01Å; T667-L725 HydrophobicContact CG2-CD1 3.94Å; T667-L725 HydrophobicContact CG2-CG 4.16Å; T667-G812 WeakPolarHBondContact OG1-CA 3.34Å |
| 668 | A | 95.9 | Very high | 86 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -80.6 | 142.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H670 C671 D721 V723 V828 | A668-H670 VanDerWaalsContact C-N 3.3Å; A668-H670 WeakPolarHBondContact CB-ND1 3.31Å; A668-H670 PolarHBondContact O-N 3.32Å; A668-C671 VanDerWaalsContact O-CB 3.31Å; A668-C671 WeakPolarHBondContact O-CB 3.42Å; A668-C671 PolarHBondContact O-N 3.09Å; A668-C671 VanDerWaalsContact O-N 3.13Å; A668-D721 WeakPolarHBondContact CA-O 3.35Å; A668-V723 WeakPolarHBondContact O-CG1 3.46Å; A668-V828 HydrophobicContact CB-CG1 4.47Å | ||
| 669 | A | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -66.6 | -32.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C671 V672 H673 T710 Y713 D721 V723 | A669-C671 PolarHBondContact O-N 2.8Å; A669-V672 WeakPolarHBondContact O-CG2 3.49Å; A669-V672 PolarHBondContact O-N 2.92Å; A669-H673 PolarHBondContact O-N 2.99Å; A669-T710 HydrophobicContact CB-CG2 4.06Å; A669-Y713 HydrophobicContact CB-CD1 4.06Å; A669-Y713 HydrophobicContact CB-CD2 3.65Å; A669-Y713 HydrophobicContact CB-CE2 4.25Å; A669-Y713 HydrophobicContact CB-CG 3.53Å; A669-D721 WeakPolarHBondContact CA-OD1 3.47Å; A669-D721 PolarHBondContact N-OD1 3.47Å; A669-V723 HydrophobicContact CB-CB 4.46Å |
| 670 | H | 92.9 | Very high | 88.7 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -63 | -20.8 | 174.6 | 78.6 | -104 | 0 | 0 | 0 | 113 | A668 V672 H673 Y713 D721 S811 S830 | A668-H670 VanDerWaalsContact C-N 3.3Å; A668-H670 WeakPolarHBondContact CB-ND1 3.31Å; A668-H670 PolarHBondContact O-N 3.32Å; H670-V672 PolarHBondContact O-N 3.26Å; H670-H673 PolarHBondContact O-N 3.19Å; H670-H673 VanDerWaalsContact O-O 3.13Å; H670-Y713 HydrophobicContact CB-CE1 4.48Å; H670-Y713 HydrophobicContact CB-CE2 4.4Å; H670-Y713 VanDerWaalsContact CB-OH 3.25Å; H670-Y713 WeakPolarHBondContact CB-OH 3.35Å; H670-D721 IonicContact CE1-OD2 3.89Å; H670-D721 IonicContact CG-OD1 4Å; H670-D721 IonicContact CG-OD2 3.24Å; H670-D721 PolarHBondContact N-OD1 2.78Å; H670-D721 IonicContact ND1-OD1 3.72Å; H670-D721 PolarHBondContact ND1-OD1 3.25Å; H670-D721 IonicContact ND1-OD2 2.8Å; H670-D721 PolarHBondContact ND1-OD2 2.8Å; H670-S811 PolarHBondContact CE1-OG 2.93Å; H670-S811 WeakPolarHBondContact NE2-CB 2.9Å; H670-S811 PolarHBondContact NE2-OG 3.12Å; H670-S830 PolarHBondContact CE1-O 2.77Å |
| 671 | C | 93.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -71.5 | -18.3 | 174.3 | -69.6 | 0 | 0 | 0 | 0 | 113 | C649 A668 A669 M679 | C649-C671 HydrophobicContact CB-CB 3.75Å; C649-C671 WeakPolarHBondContact CB-SG 3.35Å; C649-C671 WeakPolarHBondContact SG-CB 3.3Å; C649-C671 CovalentContact SG-SG 2.04Å; C649-C671 PolarHBondContact SG-SG 3.29Å; A668-C671 VanDerWaalsContact O-CB 3.31Å; A668-C671 WeakPolarHBondContact O-CB 3.42Å; A668-C671 PolarHBondContact O-N 3.09Å; A668-C671 VanDerWaalsContact O-N 3.13Å; A669-C671 PolarHBondContact O-N 2.8Å; C671-M679 WeakPolarHBondContact O-CE 3.46Å |
| 672 | V | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 0.2 | 176.6 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | A669 H670 Y678 M679 F684 Y708 T710 V723 L725 | A669-V672 WeakPolarHBondContact O-CG2 3.49Å; A669-V672 PolarHBondContact O-N 2.92Å; H670-V672 PolarHBondContact O-N 3.26Å; V672-Y678 HydrophobicContact CG2-CD1 4.21Å; V672-Y678 HydrophobicContact CG2-CE1 4.49Å; V672-M679 PolarHBondContact O-N 3.27Å; V672-F684 HydrophobicContact CB-CE1 4.33Å; V672-F684 HydrophobicContact CB-CZ 3.75Å; V672-F684 HydrophobicContact CG1-CE1 3.79Å; V672-F684 HydrophobicContact CG1-CE2 4.33Å; V672-F684 HydrophobicContact CG1-CZ 3.58Å; V672-Y708 HydrophobicContact CB-CE2 4.31Å; V672-Y708 HydrophobicContact CG2-CD2 4.32Å; V672-Y708 HydrophobicContact CG2-CE2 3.97Å; V672-T710 HydrophobicContact CG2-CG2 4Å; V672-V723 HydrophobicContact CG1-CG1 4.17Å; V672-V723 HydrophobicContact CG2-CB 4.42Å; V672-V723 HydrophobicContact CG2-CG1 4.36Å; V672-V723 HydrophobicContact CG2-CG2 4.12Å; V672-L725 HydrophobicContact CG1-CD2 4.05Å |
| 673 | H | 89.4 | Confident | 90.6 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.2 | -175.6 | -177.7 | -100.8 | 0 | 0 | 0 | 110.8 | A669 H670 N676 T677 Y678 Y713 D715 | A669-H673 PolarHBondContact O-N 2.99Å; H670-H673 PolarHBondContact O-N 3.19Å; H670-H673 VanDerWaalsContact O-O 3.13Å; H673-N676 WeakPolarHBondContact NE2-CA 3.24Å; H673-T677 CarbonylContact C-O 3.6Å; H673-T677 WeakPolarHBondContact CA-O 3.31Å; H673-T677 PolarHBondContact CD2-O 3.05Å; H673-Y678 HydrophobicContact CB-CD1 4.18Å; H673-Y678 HydrophobicContact CB-CE1 4.11Å; H673-Y678 AromaticContact CD2-CE1 3.93Å; H673-Y713 HydrophobicContact CB-CD1 4.35Å; H673-Y713 HydrophobicContact CB-CE1 4.01Å; H673-Y713 AromaticContact CG-CE1 3.96Å; H673-Y713 AromaticContact ND1-CE1 3.84Å; H673-D715 IonicContact CE1-OD1 2.71Å; H673-D715 IonicContact CE1-OD2 3.75Å; H673-D715 IonicContact ND1-OD1 2.68Å; H673-D715 PolarHBondContact ND1-OD1 3.48Å; H673-D715 IonicContact ND1-OD2 3.93Å |
| 674 | Y | 83.5 | Confident | 90.7 | Very high | 105 Ų | 105 | 33.4 Ų | 33.4 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 135.9 | 179.3 | 179.7 | -103.8 | 0 | 0 | 0 | 110.8 | E642 F647 N676 T677 | E642-Y674 HydrophobicContact CG-CD1 4.24Å; F647-Y674 AromaticContact CE1-CD2 3.98Å; F647-Y674 HydrophobicContact CE1-CD2 3.98Å; F647-Y674 AromaticContact CE1-CE2 3.92Å; F647-Y674 HydrophobicContact CE1-CE2 3.92Å; F647-Y674 AromaticContact CZ-CD2 3.79Å; F647-Y674 HydrophobicContact CZ-CD2 3.79Å; F647-Y674 HydrophobicContact CZ-CE1 4.43Å; F647-Y674 AromaticContact CZ-CE2 3.64Å; F647-Y674 HydrophobicContact CZ-CE2 3.64Å; F647-Y674 HydrophobicContact CZ-CG 4.26Å; F647-Y674 AromaticContact CZ-CZ 3.99Å; Y674-N676 PolarHBondContact O-N 3.26Å; Y674-T677 PolarHBondContact N-O 3.24Å; Y674-T677 CarbonylContact O-C 3.51Å; Y674-T677 PolarHBondContact O-N 3.37Å; Y674-T677 PolarHBondContact O-OG1 3.34Å |
| 675 | G | 78.1 | Confident | 90.6 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 62% | 0.619 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T677 | G675-T677 PolarHBondContact O-N 2.96Š|
| 676 | N | 76 | Confident | 90.5 | Very high | 118 Ų | 118 | 35.8 Ų | 35.8 | 63% | 0.631 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 23.8 | -171.4 | -65.3 | -30.2 | 0 | 0 | 0 | 114.2 | H673 Y674 | H673-N676 WeakPolarHBondContact NE2-CA 3.24Å; Y674-N676 PolarHBondContact O-N 3.26Å |
| 677 | T | 81.5 | Confident | 90.4 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.1 | 177.6 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | H673 Y674 G675 K878 | H673-T677 CarbonylContact C-O 3.6Å; H673-T677 WeakPolarHBondContact CA-O 3.31Å; H673-T677 PolarHBondContact CD2-O 3.05Å; Y674-T677 PolarHBondContact N-O 3.24Å; Y674-T677 CarbonylContact O-C 3.51Å; Y674-T677 PolarHBondContact O-N 3.37Å; Y674-T677 PolarHBondContact O-OG1 3.34Å; G675-T677 PolarHBondContact O-N 2.96Å; T677-K878 HydrophobicContact CG2-CG 3.8Å |
| 678 | Y | 87.7 | Confident | 90.4 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.1 | 172.4 | -72.8 | -70.8 | 0 | 0 | 0 | 110 | V672 H673 Y708 T710 | V672-Y678 HydrophobicContact CG2-CD1 4.21Å; V672-Y678 HydrophobicContact CG2-CE1 4.49Å; H673-Y678 HydrophobicContact CB-CD1 4.18Å; H673-Y678 HydrophobicContact CB-CE1 4.11Å; H673-Y678 AromaticContact CD2-CE1 3.93Å; Y678-Y708 WeakPolarHBondContact CB-OH 3.32Å; Y678-Y708 HydrophobicContact CD1-CE2 4.46Å; Y678-T710 HydrophobicContact CD1-CG2 4.47Å; Y678-T710 HydrophobicContact CE1-CG2 3.77Å; Y678-T710 PolarHBondContact OH-OG1 3.34Å |
| 679 | M | 89.7 | Confident | 90.3 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 147.1 | 179.6 | -67.7 | -175 | -79.2 | 0 | 0 | 111 | A640 E642 C671 V672 F684 Y708 | A640-M679 HydrophobicContact CB-CE 4.35Å; E642-M679 HydrophobicContact CB-CG 4.36Å; E642-M679 HydrophobicContact CB-SD 3.69Å; E642-M679 HydrophobicContact CG-CG 4.09Å; E642-M679 HydrophobicContact CG-SD 4.05Å; C671-M679 WeakPolarHBondContact O-CE 3.46Å; V672-M679 PolarHBondContact O-N 3.27Å; M679-F684 HydrophobicContact CB-CE2 3.97Å; M679-F684 HydrophobicContact CB-CZ 3.81Å; M679-F684 HydrophobicContact CE-CE1 4.01Å; M679-F684 HydrophobicContact CE-CZ 3.85Å; M679-Y708 WeakPolarHBondContact O-CE1 3.39Å; M679-Y708 PolarHBondContact O-OH 3.32Å |
| 680 | S | 88.8 | Confident | 90.2 | Very high | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 142.6 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | R682 S683 F684 T872 | S680-R682 PolarHBondContact O-N 2.86Å; S680-R682 PolarHBondContact OG-N 3.03Å; S680-S683 VanDerWaalsContact O-CB 3.24Å; S680-S683 WeakPolarHBondContact O-CB 3.46Å; S680-S683 PolarHBondContact O-N 3.38Å; S680-S683 PolarHBondContact O-OG 3.12Å; S680-F684 VanDerWaalsContact O-CD2 3.31Å; S680-F684 WeakPolarHBondContact O-CD2 3.2Å; S680-F684 VanDerWaalsContact O-CE2 3.23Å; S680-F684 WeakPolarHBondContact O-CE2 3.44Å; S680-T872 PolarHBondContact OG-O 3.48Å |
| 681 | P | 92.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -50.9 | -28.6 | 171.4 | -30.3 | 38 | 0 | 0 | 0 | 114 | S683 F684 V705 Y708 Q869 | P681-S683 PolarHBondContact O-N 3.2Å; P681-F684 PolarHBondContact O-N 3.14Å; P681-V705 HydrophobicContact CB-CB 4.33Å; P681-V705 HydrophobicContact CB-CG1 4.14Å; P681-Y708 HydrophobicContact CB-CD1 4.41Å; P681-Y708 HydrophobicContact CB-CE1 4.44Å; P681-Y708 HydrophobicContact CG-CD1 3.88Å; P681-Y708 HydrophobicContact CG-CE1 3.72Å; P681-Q869 HydrophobicContact CB-CB 4.48Å; P681-Q869 HydrophobicContact CG-CB 3.81Å |
| 682 | R | 90.1 | Very high | 90.1 | Very high | 152 Ų | 152 | 37.4 Ų | 37.4 | 57% | 0.574 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -63.7 | -25.4 | 174.9 | -172.4 | 175.2 | 174.5 | -176.4 | -1.3 | 113.7 | S680 F684 S870 | S680-R682 PolarHBondContact O-N 2.86Å; S680-R682 PolarHBondContact OG-N 3.03Å; R682-F684 PolarHBondContact O-N 3.41Å; R682-S870 VanDerWaalsContact CB-O 3.32Å; R682-S870 WeakPolarHBondContact CB-O 3.28Å; R682-S870 WeakPolarHBondContact CG-O 3.34Å |
| 683 | S | 91.7 | Very high | 89.9 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -69.5 | -12.5 | -178.6 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | A640 Y641 E642 S680 P681 | A640-S683 CarbonylContact C-O 3.59Å; A640-S683 WeakPolarHBondContact CA-O 3.25Å; Y641-S683 PolarHBondContact N-O 2.62Å; Y641-S683 VanDerWaalsContact O-CB 3.31Å; Y641-S683 WeakPolarHBondContact O-CB 3.09Å; Y641-S683 PolarHBondContact O-OG 2.86Å; E642-S683 PolarHBondContact OE2-OG 2.82Å; S680-S683 VanDerWaalsContact O-CB 3.24Å; S680-S683 WeakPolarHBondContact O-CB 3.46Å; S680-S683 PolarHBondContact O-N 3.38Å; S680-S683 PolarHBondContact O-OG 3.12Å; P681-S683 PolarHBondContact O-N 3.2Å |
| 684 | F | 95 | Very high | 89.9 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.6 | -171.1 | -57.6 | -86.8 | 0 | 0 | 0 | 113.7 | I638 L639 A640 V672 M679 S680 P681 R682 I686 V705 Y708 | I638-F684 HydrophobicContact CG2-CD1 4.07Å; L639-F684 CarbonylContact O-C 3.22Å; L639-F684 WeakPolarHBondContact O-CA 3.48Å; A640-F684 HydrophobicContact CB-CD1 3.66Å; A640-F684 HydrophobicContact CB-CE1 3.7Å; V672-F684 HydrophobicContact CB-CE1 4.33Å; V672-F684 HydrophobicContact CB-CZ 3.75Å; V672-F684 HydrophobicContact CG1-CE1 3.79Å; V672-F684 HydrophobicContact CG1-CE2 4.33Å; V672-F684 HydrophobicContact CG1-CZ 3.58Å; M679-F684 HydrophobicContact CB-CE2 3.97Å; M679-F684 HydrophobicContact CB-CZ 3.81Å; M679-F684 HydrophobicContact CE-CE1 4.01Å; M679-F684 HydrophobicContact CE-CZ 3.85Å; S680-F684 VanDerWaalsContact O-CD2 3.31Å; S680-F684 WeakPolarHBondContact O-CD2 3.2Å; S680-F684 VanDerWaalsContact O-CE2 3.23Å; S680-F684 WeakPolarHBondContact O-CE2 3.44Å; P681-F684 PolarHBondContact O-N 3.14Å; R682-F684 PolarHBondContact O-N 3.41Å; F684-I686 HydrophobicContact CB-CD1 4.44Å; F684-V705 HydrophobicContact CB-CB 4.39Å; F684-V705 HydrophobicContact CB-CG2 3.69Å; F684-V705 HydrophobicContact CG-CG2 4.46Å; F684-Y708 HydrophobicContact CE2-CE1 4.07Å |
| 685 | L | 94.9 | Very high | 90 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.8 | 167.4 | -67.7 | 173.1 | 0 | 0 | 0 | 109.5 | L639 Y641 F687 | L639-L685 HydrophobicContact CB-CB 4.37Å; L639-L685 PolarHBondContact N-O 3.32Å; L639-L685 PolarHBondContact O-N 3.05Å; Y641-L685 HydrophobicContact CE2-CD1 4.31Å; L685-F687 HydrophobicContact CB-CE2 3.89Å; L685-F687 HydrophobicContact CB-CZ 4.49Å |
| 686 | I | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.4 | -174.7 | -51.2 | -57.3 | 0 | 0 | 0 | 109.5 | V636 I638 V665 F684 L688 Y702 R703 V705 L725 L727 | V636-I686 HydrophobicContact CG1-CG2 3.28Å; I638-I686 HydrophobicContact CB-CD1 4.4Å; I638-I686 HydrophobicContact CD1-CD1 4.43Å; I638-I686 HydrophobicContact CG1-CD1 3.97Å; I638-I686 HydrophobicContact CG2-CD1 3.98Å; V665-I686 HydrophobicContact CG2-CG2 4.25Å; F684-I686 HydrophobicContact CB-CD1 4.44Å; I686-L688 HydrophobicContact CG2-CD1 3.94Å; I686-L688 HydrophobicContact CG2-CG 4.46Å; I686-Y702 CarbonylContact O-C 3.56Å; I686-Y702 WeakPolarHBondContact O-CA 3.43Å; I686-R703 HydrophobicContact CB-CB 4.45Å; I686-R703 WeakPolarHBondContact CB-O 3.4Å; I686-R703 PolarHBondContact N-O 2.99Å; I686-R703 PolarHBondContact O-N 2.92Å; I686-V705 HydrophobicContact CD1-CG2 3.75Å; I686-V705 HydrophobicContact CG1-CG2 3.58Å; I686-L725 HydrophobicContact CD1-CD1 3.91Å; I686-L727 HydrophobicContact CB-CD2 4.03Å; I686-L727 HydrophobicContact CG1-CD2 3.79Å; I686-L727 HydrophobicContact CG2-CD2 3.99Å |
| 687 | F | 96.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 52 Ų | 52 | 23% | 0.232 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.9 | 178.8 | -64.8 | -97.2 | 0 | 0 | 0 | 110.8 | V636 H637 L639 L685 I700 I701 | V636-F687 WeakPolarHBondContact CA-O 3.08Å; H637-F687 HydrophobicContact CB-CB 4.21Å; H637-F687 PolarHBondContact N-O 2.98Å; H637-F687 PolarHBondContact O-N 2.84Å; L639-F687 HydrophobicContact CB-CD2 4.48Å; L639-F687 HydrophobicContact CB-CE2 3.99Å; L639-F687 HydrophobicContact CD2-CE2 3.94Å; L639-F687 HydrophobicContact CD2-CZ 4.41Å; L685-F687 HydrophobicContact CB-CE2 3.89Å; L685-F687 HydrophobicContact CB-CZ 4.49Å; F687-I700 HydrophobicContact CD1-CG2 4.13Å; F687-I701 WeakPolarHBondContact CA-O 2.97Å |
| 688 | L | 96.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 155 | 178.6 | -54.4 | 97.9 | 0 | 0 | 0 | 110.5 | V636 L653 I686 A690 I700 I701 R703 L727 V731 I737 | V636-L688 HydrophobicContact CG2-CD2 3.92Å; V636-L688 HydrophobicContact CG2-CG 4.13Å; L653-L688 HydrophobicContact CB-CD2 4.46Å; L653-L688 HydrophobicContact CD1-CD2 4.05Å; L653-L688 HydrophobicContact CD2-CD2 4.37Å; I686-L688 HydrophobicContact CG2-CD1 3.94Å; I686-L688 HydrophobicContact CG2-CG 4.46Å; L688-A690 VanDerWaalsContact C-N 3.25Å; L688-A690 PolarHBondContact O-N 3.01Å; L688-I700 WeakPolarHBondContact O-CA 3.4Å; L688-I701 HydrophobicContact CB-CD1 4.45Å; L688-I701 HydrophobicContact CB-CG1 3.99Å; L688-I701 HydrophobicContact CD1-CD1 4.46Å; L688-I701 HydrophobicContact CD1-CG1 4.26Å; L688-I701 PolarHBondContact N-O 2.87Å; L688-I701 PolarHBondContact O-N 2.91Å; L688-R703 HydrophobicContact CD1-CG 4.24Å; L688-L727 HydrophobicContact CD1-CD1 4.48Å; L688-V731 HydrophobicContact CD1-CG2 4.12Å; L688-V731 HydrophobicContact CD2-CG1 4.48Å; L688-V731 HydrophobicContact CD2-CG2 4.32Å; L688-I737 HydrophobicContact CB-CD1 4.01Å; L688-I737 HydrophobicContact CB-CG1 4.36Å; L688-I737 HydrophobicContact CB-CG2 4.46Å; L688-I737 HydrophobicContact CD2-CG2 4.31Å |
| 689 | G | 94.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 75.4 | 11.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N630 S699 | N630-G689 PolarHBondContact ND2-O 3.46Å; G689-S699 VanDerWaalsContact O-CB 3.32Å; G689-S699 WeakPolarHBondContact O-CB 3.21Å; G689-S699 PolarHBondContact O-OG 2.99Å |
| 690 | A | 93 | Very high | 91.1 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | trans | -86.2 | 141 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L688 L693 I700 W760 | L688-A690 VanDerWaalsContact C-N 3.25Å; L688-A690 PolarHBondContact O-N 3.01Å; A690-L693 HydrophobicContact CB-CD2 3.88Å; A690-I700 HydrophobicContact CB-CD1 3.87Å; A690-I700 HydrophobicContact CB-CG1 3.67Å; A690-W760 HydrophobicContact CB-CZ2 4.41Å; A690-W760 WeakPolarHBondContact O-CZ2 3.35Å | ||
| 691 | H | 93.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -110.8 | -55 | 162.1 | 175.8 | 69.2 | 0 | 0 | 0 | 110.3 | E626 A627 P629 E697 W760 A771 L772 | E626-H691 IonicContact OE1-CD2 3.85Å; E626-H691 IonicContact OE1-CE1 2.76Å; E626-H691 IonicContact OE1-NE2 3.56Å; E626-H691 PolarHBondContact OE1-NE2 2.77Å; A627-H691 PolarHBondContact O-CE1 3.19Å; P629-H691 HydrophobicContact CB-CB 4.38Å; H691-E697 WeakPolarHBondContact CB-OE1 3.43Å; H691-E697 PolarHBondContact N-OE2 3.23Å; H691-W760 PolarHBondContact O-NE1 3.01Å; H691-A771 CarbonylContact O-C 3.54Å; H691-A771 WeakPolarHBondContact O-CA 3.05Å; H691-L772 PolarHBondContact O-N 3.37Å |
| 692 | D | 90.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -110.5 | 109.3 | 176.8 | -171.3 | -26.5 | 0 | 0 | 0 | 111.8 | N694 K695 E697 A770 | D692-N694 PolarHBondContact O-N 3.21Å; D692-N694 PolarHBondContact OD1-N 3.04Å; D692-K695 HydrophobicContact CB-CB 4.15Å; D692-K695 HydrophobicContact CB-CD 3.95Å; D692-K695 HydrophobicContact CB-CG 4.07Å; D692-K695 PolarHBondContact O-N 2.78Å; D692-K695 VanDerWaalsContact O-N 3.07Å; D692-K695 WeakPolarHBondContact OD2-CD 2.99Å; D692-K695 WeakPolarHBondContact OD2-CE 3.46Å; D692-K695 IonicContact OD2-NZ 3.27Å; D692-K695 PolarHBondContact OD2-NZ 3.4Å; D692-E697 PolarHBondContact N-OE1 3.01Å; D692-E697 PolarHBondContact N-OE2 3.17Å; D692-A770 CarbonylContact C-O 3.47Å; D692-A770 VanDerWaalsContact CA-O 3.3Å; D692-A770 WeakPolarHBondContact CA-O 3.02Å; D692-A770 WeakPolarHBondContact OD1-CB 3.16Å |
| 693 | L | 88.5 | Confident | 91.6 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.4 | -177.1 | -63 | 176.7 | 0 | 0 | 0 | 114 | H637 A690 W760 A770 | H637-L693 HydrophobicContact CB-CD2 4.16Å; A690-L693 HydrophobicContact CB-CD2 3.88Å; L693-W760 HydrophobicContact CD1-CB 3.81Å; L693-W760 HydrophobicContact CD1-CD2 4.06Å; L693-W760 HydrophobicContact CD1-CG 3.55Å; L693-W760 HydrophobicContact CG-CD2 4.45Å; L693-W760 HydrophobicContact CG-CG 4.13Å; L693-A770 PolarHBondContact N-O 3.36Å |
| 694 | N | 88.3 | Confident | 91.7 | Very high | 140 Ų | 140 | 64.5 Ų | 64.5 | 75% | 0.749 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -7.5 | 175.8 | -73.4 | -17.9 | 0 | 0 | 0 | 112.9 | D692 A770 | D692-N694 PolarHBondContact O-N 3.21Å; D692-N694 PolarHBondContact OD1-N 3.04Å; N694-A770 HydrophobicContact CB-CB 4.09Å; N694-A770 VanDerWaalsContact ND2-CB 3.27Å; N694-A770 WeakPolarHBondContact ND2-CB 3.49Å |
| 695 | K | 86.4 | Confident | 91.8 | Very high | 122 Ų | 122 | 64.4 Ų | 64.4 | 53% | 0.53 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -103 | 144.7 | 178.7 | -67.9 | -178.4 | -177.1 | 127.2 | 0 | 110.8 | D692 E697 | D692-K695 HydrophobicContact CB-CB 4.15Å; D692-K695 HydrophobicContact CB-CD 3.95Å; D692-K695 HydrophobicContact CB-CG 4.07Å; D692-K695 PolarHBondContact O-N 2.78Å; D692-K695 VanDerWaalsContact O-N 3.07Å; D692-K695 WeakPolarHBondContact OD2-CD 2.99Å; D692-K695 WeakPolarHBondContact OD2-CE 3.46Å; D692-K695 IonicContact OD2-NZ 3.27Å; D692-K695 PolarHBondContact OD2-NZ 3.4Å; K695-E697 VanDerWaalsContact C-N 3.29Å; K695-E697 HydrophobicContact CB-CG 4.06Å; K695-E697 PolarHBondContact O-N 3.27Å |
| 696 | R | 83.4 | Confident | 91.7 | Very high | 260 Ų | 260 | 65.5 Ų | 65.5 | 98% | 0.981 | 30% | 0.297 | S | S | * | . | trans | -80.1 | 80.4 | 167.6 | -72.7 | -174.1 | 174.9 | -175.6 | -1.2 | 109.3 | ||||
| 697 | E | 87.1 | Confident | 91.5 | Very high | 42 Ų | 42 | 65.7 Ų | 65.7 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -80.4 | 135.1 | 174.4 | -58 | 174.1 | 156.8 | 0 | 0 | 110 | H691 D692 K695 S699 I700 | H691-E697 WeakPolarHBondContact CB-OE1 3.43Å; H691-E697 PolarHBondContact N-OE2 3.23Å; D692-E697 PolarHBondContact N-OE1 3.01Å; D692-E697 PolarHBondContact N-OE2 3.17Å; K695-E697 VanDerWaalsContact C-N 3.29Å; K695-E697 HydrophobicContact CB-CG 4.06Å; K695-E697 PolarHBondContact O-N 3.27Å; E697-S699 PolarHBondContact O-N 3.04Å; E697-I700 HydrophobicContact CB-CD1 3.76Å; E697-I700 HydrophobicContact CB-CG1 3.91Å; E697-I700 HydrophobicContact CG-CD1 4.18Å; E697-I700 PolarHBondContact O-N 2.85Å | ||
| 698 | Q | 84.6 | Confident | 91.5 | Very high | 202 Ų | 202 | 64.8 Ų | 64.8 | 94% | 0.944 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.4 | -179.3 | -68 | -179.6 | -5.1 | 0 | 0 | 113.1 | I700 | Q698-I700 VanDerWaalsContact C-N 3.34Š|
| 699 | S | 88 | Confident | 91.3 | Very high | 26 Ų | 26 | 66.8 Ų | 66.8 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.5 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | G689 E697 I701 | G689-S699 VanDerWaalsContact O-CB 3.32Å; G689-S699 WeakPolarHBondContact O-CB 3.21Å; G689-S699 PolarHBondContact O-OG 2.99Å; E697-S699 PolarHBondContact O-N 3.04Å; S699-I701 PolarHBondContact O-N 3.25Å |
| 700 | I | 92 | Very high | 91.1 | Very high | 47 Ų | 47 | 68.1 Ų | 68.1 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | trans | -73.3 | 126.6 | -176.1 | -65.4 | 170.1 | 0 | 0 | 0 | 109.9 | F687 L688 A690 E697 Q698 | F687-I700 HydrophobicContact CD1-CG2 4.13Å; L688-I700 WeakPolarHBondContact O-CA 3.4Å; A690-I700 HydrophobicContact CB-CD1 3.87Å; A690-I700 HydrophobicContact CB-CG1 3.67Å; E697-I700 HydrophobicContact CB-CD1 3.76Å; E697-I700 HydrophobicContact CB-CG1 3.91Å; E697-I700 HydrophobicContact CG-CD1 4.18Å; E697-I700 PolarHBondContact O-N 2.85Å; Q698-I700 VanDerWaalsContact C-N 3.34Å | ||
| 701 | I | 93.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 155.4 | 168.1 | 67.6 | 171.8 | 0 | 0 | 0 | 109.8 | F687 L688 S699 V731 I737 | F687-I701 WeakPolarHBondContact CA-O 2.97Å; L688-I701 HydrophobicContact CB-CD1 4.45Å; L688-I701 HydrophobicContact CB-CG1 3.99Å; L688-I701 HydrophobicContact CD1-CD1 4.46Å; L688-I701 HydrophobicContact CD1-CG1 4.26Å; L688-I701 PolarHBondContact N-O 2.87Å; L688-I701 PolarHBondContact O-N 2.91Å; S699-I701 PolarHBondContact O-N 3.25Å; I701-V731 HydrophobicContact CD1-CB 4.2Å; I701-V731 HydrophobicContact CD1-CG1 3.42Å; I701-V731 VanDerWaalsContact CD1-CG1 3.42Å; I701-V731 HydrophobicContact CD1-CG2 3.81Å; I701-I737 HydrophobicContact CD1-CD1 3.59Å; I701-I737 HydrophobicContact CG1-CD1 3.76Å |
| 702 | Y | 93.7 | Very high | 89.9 | Confident | 152 Ų | 152 | 71.6 Ų | 71.6 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 152.9 | 169.4 | 69.8 | -87.4 | 0 | 0 | 0 | 111.4 | I686 | I686-Y702 CarbonylContact O-C 3.56Å; I686-Y702 WeakPolarHBondContact O-CA 3.43Å |
| 703 | R | 96.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 23% | 0.226 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.6 | 175.3 | -68.5 | -64.9 | -176.9 | -90.6 | 2.4 | 110.7 | I686 L688 L727 L729 V731 | I686-R703 HydrophobicContact CB-CB 4.45Å; I686-R703 WeakPolarHBondContact CB-O 3.4Å; I686-R703 PolarHBondContact N-O 2.99Å; I686-R703 PolarHBondContact O-N 2.92Å; L688-R703 HydrophobicContact CD1-CG 4.24Å; R703-L727 HydrophobicContact CB-CB 4.34Å; R703-L727 HydrophobicContact CB-CD1 4.17Å; R703-L727 HydrophobicContact CB-CD2 4.13Å; R703-L727 HydrophobicContact CB-CG 4.44Å; R703-L727 HydrophobicContact CG-CD1 4.17Å; R703-L729 WeakPolarHBondContact CD-O 3.29Å; R703-L729 PolarHBondContact NE-O 3.31Å; R703-V731 HydrophobicContact CG-CG2 3.79Å |
| 704 | D | 94 | Very high | 89 | Confident | 67 Ų | 67 | 69.3 Ų | 69.3 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 154.2 | 168.5 | -55.7 | -41 | 0 | 0 | 0 | 110.3 | K728 | D704-K728 HydrophobicContact CB-CB 4.24Å; D704-K728 HydrophobicContact CB-CD 4.27Å; D704-K728 PolarHBondContact O-N 2.81Å |
| 705 | V | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.2 | 172.3 | -178 | 0 | 0 | 0 | 0 | 109.8 | P681 F684 I686 N707 Y708 L725 S870 | P681-V705 HydrophobicContact CB-CB 4.33Å; P681-V705 HydrophobicContact CB-CG1 4.14Å; F684-V705 HydrophobicContact CB-CB 4.39Å; F684-V705 HydrophobicContact CB-CG2 3.69Å; F684-V705 HydrophobicContact CG-CG2 4.46Å; I686-V705 HydrophobicContact CD1-CG2 3.75Å; I686-V705 HydrophobicContact CG1-CG2 3.58Å; V705-N707 WeakPolarHBondContact CG1-O 3.42Å; V705-Y708 HydrophobicContact CG1-CD1 4.4Å; V705-L725 HydrophobicContact CG1-CB 4.23Å; V705-L725 HydrophobicContact CG2-CD1 4.34Å; V705-S870 VanDerWaalsContact O-CB 3.28Å; V705-S870 WeakPolarHBondContact O-CB 3.24Å |
| 706 | R | 93.5 | Very high | 87.9 | Confident | 73 Ų | 73 | 67 Ų | 67 | 28% | 0.275 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -52.8 | 175.3 | -179.4 | -176.9 | 168.1 | 121.9 | -4.6 | 110.9 | R726 K728 A866 D868 Q869 S870 | R706-R726 WeakPolarHBondContact CB-O 3.42Å; R706-R726 PolarHBondContact N-O 2.87Å; R706-K728 HydrophobicContact CB-CB 4.49Å; R706-A866 PolarHBondContact NH2-O 3.22Å; R706-D868 HydrophobicContact CG-CB 3.84Å; R706-Q869 CarbonylContact O-C 3.57Å; R706-Q869 WeakPolarHBondContact O-CA 3.26Å; R706-Q869 PolarHBondContact O-N 3.46Å; R706-S870 PolarHBondContact O-N 3.07Å |
| 707 | N | 93.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 169 | -178.4 | 52.3 | 33.1 | 0 | 0 | 0 | 109 | V705 R726 L863 A866 P867 | V705-N707 WeakPolarHBondContact CG1-O 3.42Å; N707-R726 PolarHBondContact O-N 2.95Å; N707-R726 WeakPolarHBondContact OD1-CB 3.43Å; N707-L863 HydrophobicContact CB-CD2 4.45Å; N707-L863 PolarHBondContact ND2-O 3.41Å; N707-L863 WeakPolarHBondContact OD1-CD2 3.07Å; N707-A866 WeakPolarHBondContact ND2-CB 3.17Å; N707-A866 PolarHBondContact ND2-O 3.35Å; N707-P867 PolarHBondContact ND2-O 2.69Å |
| 708 | Y | 95.5 | Very high | 86.8 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 14% | 0.137 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.4 | 177.2 | 63.1 | -104.8 | 0 | 0 | 0 | 112.2 | V672 Y678 M679 P681 F684 V705 V723 L724 L725 | V672-Y708 HydrophobicContact CB-CE2 4.31Å; V672-Y708 HydrophobicContact CG2-CD2 4.32Å; V672-Y708 HydrophobicContact CG2-CE2 3.97Å; Y678-Y708 WeakPolarHBondContact CB-OH 3.32Å; Y678-Y708 HydrophobicContact CD1-CE2 4.46Å; M679-Y708 WeakPolarHBondContact O-CE1 3.39Å; M679-Y708 PolarHBondContact O-OH 3.32Å; P681-Y708 HydrophobicContact CB-CD1 4.41Å; P681-Y708 HydrophobicContact CB-CE1 4.44Å; P681-Y708 HydrophobicContact CG-CD1 3.88Å; P681-Y708 HydrophobicContact CG-CE1 3.72Å; F684-Y708 HydrophobicContact CE2-CE1 4.07Å; V705-Y708 HydrophobicContact CG1-CD1 4.4Å; Y708-V723 HydrophobicContact CD2-CG2 3.82Å; Y708-V723 HydrophobicContact CG-CG2 4.18Å; Y708-L724 WeakPolarHBondContact CA-O 3.45Å; Y708-L724 VanDerWaalsContact CB-O 3.24Å; Y708-L724 WeakPolarHBondContact CB-O 3.46Å; Y708-L725 VanDerWaalsContact CB-CD2 3.44Å; Y708-L725 HydrophobicContact CD1-CD2 4.24Å; Y708-L725 HydrophobicContact CG-CD2 3.98Å |
| 709 | V | 92.1 | Very high | 86.7 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.8 | 178.4 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | V723 L724 W855 T859 L863 | V709-V723 WeakPolarHBondContact O-CA 3.4Å; V709-V723 VanDerWaalsContact O-CG2 3.31Å; V709-V723 WeakPolarHBondContact O-CG2 3.43Å; V709-L724 PolarHBondContact N-O 3.14Å; V709-L724 VanDerWaalsContact N-O 3.09Å; V709-L724 PolarHBondContact O-N 3.46Å; V709-W855 HydrophobicContact CG1-CZ2 4.39Å; V709-T859 HydrophobicContact CB-CG2 3.59Å; V709-T859 HydrophobicContact CG1-CG2 3.65Å; V709-T859 HydrophobicContact CG2-CG2 4.27Å; V709-L863 HydrophobicContact CB-CD2 4.21Å; V709-L863 HydrophobicContact CG2-CD2 3.66Å; V709-L863 HydrophobicContact CG2-CG 4.14Å |
| 710 | T | 90.8 | Very high | 86.6 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 159.8 | 171.7 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | A669 V672 Y678 V723 | A669-T710 HydrophobicContact CB-CG2 4.06Å; V672-T710 HydrophobicContact CG2-CG2 4Å; Y678-T710 HydrophobicContact CD1-CG2 4.47Å; Y678-T710 HydrophobicContact CE1-CG2 3.77Å; Y678-T710 PolarHBondContact OH-OG1 3.34Å; T710-V723 HydrophobicContact CG2-CB 3.98Å; T710-V723 HydrophobicContact CG2-CG2 3.72Å |
| 711 | H | 83.4 | Confident | 86.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -104.5 | 82.8 | 176.9 | -164.3 | 17.8 | 0 | 0 | 0 | 112.7 | Y713 N720 I722 Y852 W855 Y915 | H711-Y713 PolarHBondContact O-N 3.29Å; H711-Y713 VanDerWaalsContact O-N 3.11Å; H711-N720 WeakPolarHBondContact O-CB 3.41Å; H711-I722 HydrophobicContact CB-CG2 4.13Å; H711-I722 PolarHBondContact N-O 2.81Å; H711-Y852 HydrophobicContact CB-CE1 4.47Å; H711-Y852 AromaticContact CD2-CD1 3.65Å; H711-Y852 AromaticContact CD2-CE1 3.48Å; H711-Y852 VanDerWaalsContact CD2-CE1 3.48Å; H711-Y852 WeakPolarHBondContact CD2-CE1 3.29Å; H711-W855 HydrophobicContact CB-CD2 4.1Å; H711-W855 HydrophobicContact CB-CH2 4.15Å; H711-W855 HydrophobicContact CB-CZ2 3.58Å; H711-W855 AromaticContact CD2-CD1 3.85Å; H711-W855 AromaticContact CD2-CG 3.84Å; H711-W855 AromaticContact CE1-CD1 3.81Å; H711-W855 AromaticContact CG-CD1 3.76Å; H711-W855 AromaticContact CG-CE2 3.76Å; H711-W855 AromaticContact CG-NE1 3.54Å; H711-W855 AromaticContact ND1-CD1 3.71Å; H711-W855 AromaticContact ND1-NE1 3.6Å; H711-W855 AromaticContact NE2-CD1 3.91Å; H711-Y915 AromaticContact NE2-CE1 3.64Å; H711-Y915 AromaticContact NE2-CZ 3.69Å |
| 712 | F | 78.8 | Confident | 86.7 | Confident | 77 Ų | 77 | 45 Ų | 45 | 34% | 0.338 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 47.4 | 44.9 | 177.9 | -52.9 | -66.7 | 0 | 0 | 0 | 113.5 | S714 N720 | F712-S714 PolarHBondContact O-N 2.99Å; F712-N720 PolarHBondContact O-ND2 3.41Å |
| 713 | Y | 81.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -60.1 | 131.8 | -175.7 | 171.5 | -117.8 | 0 | 0 | 0 | 111.7 | A669 H670 H673 H711 D715 D719 D721 | A669-Y713 HydrophobicContact CB-CD1 4.06Å; A669-Y713 HydrophobicContact CB-CD2 3.65Å; A669-Y713 HydrophobicContact CB-CE2 4.25Å; A669-Y713 HydrophobicContact CB-CG 3.53Å; H670-Y713 HydrophobicContact CB-CE1 4.48Å; H670-Y713 HydrophobicContact CB-CE2 4.4Å; H670-Y713 VanDerWaalsContact CB-OH 3.25Å; H670-Y713 WeakPolarHBondContact CB-OH 3.35Å; H673-Y713 HydrophobicContact CB-CD1 4.35Å; H673-Y713 HydrophobicContact CB-CE1 4.01Å; H673-Y713 AromaticContact CG-CE1 3.96Å; H673-Y713 AromaticContact ND1-CE1 3.84Å; H711-Y713 PolarHBondContact O-N 3.29Å; H711-Y713 VanDerWaalsContact O-N 3.11Å; Y713-D715 HydrophobicContact CE1-CB 3.86Å; Y713-D715 WeakPolarHBondContact OH-CA 3.43Å; Y713-D715 PolarHBondContact OH-OD1 2.03Å; Y713-D719 WeakPolarHBondContact CD2-O 3.38Å; Y713-D721 HydrophobicContact CD2-CB 4.15Å; Y713-D721 HydrophobicContact CE2-CB 3.91Å; Y713-D721 WeakPolarHBondContact CE2-OD1 3.42Å | ||
| 714 | S | 78.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -112 | 104.7 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | F712 Q716 K717 H718 D719 | F712-S714 PolarHBondContact O-N 2.99Å; S714-Q716 PolarHBondContact O-N 3.02Å; S714-K717 PolarHBondContact O-N 3.29Å; S714-H718 WeakPolarHBondContact O-CA 3.46Å; S714-H718 PolarHBondContact O-N 3.45Å; S714-D719 PolarHBondContact N-O 3.11Å; S714-D719 PolarHBondContact O-N 3.43Å |
| 715 | D | 76.3 | Confident | 87 | Confident | 62 Ų | 62 | 31.7 Ų | 31.7 | 33% | 0.332 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -40.6 | -177.4 | -163.8 | 56.8 | 0 | 0 | 0 | 113.1 | H673 Y713 K717 | H673-D715 IonicContact CE1-OD1 2.71Å; H673-D715 IonicContact CE1-OD2 3.75Å; H673-D715 IonicContact ND1-OD1 2.68Å; H673-D715 PolarHBondContact ND1-OD1 3.48Å; H673-D715 IonicContact ND1-OD2 3.93Å; Y713-D715 HydrophobicContact CE1-CB 3.86Å; Y713-D715 WeakPolarHBondContact OH-CA 3.43Å; Y713-D715 PolarHBondContact OH-OD1 2.03Å; D715-K717 PolarHBondContact O-N 3.28Å |
| 716 | Q | 73.5 | Confident | 87.1 | Confident | 152 Ų | 152 | 32.9 Ų | 32.9 | 71% | 0.71 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -30.2 | 178.2 | -65.4 | -177.5 | 3.7 | 0 | 0 | 113 | S714 | S714-Q716 PolarHBondContact O-N 3.02Š|
| 717 | K | 73.4 | Confident | 87.2 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 31% | 0.309 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -13.3 | -173.7 | -73.6 | 178 | -172.5 | 165 | 0 | 112.7 | S714 D715 D719 R790 D907 | S714-K717 PolarHBondContact O-N 3.29Å; D715-K717 PolarHBondContact O-N 3.28Å; K717-D719 HydrophobicContact CB-CB 4Å; K717-D719 PolarHBondContact O-N 2.72Å; K717-R790 PolarHBondContact O-NH1 2.82Å; K717-R790 PolarHBondContact O-NH2 3.02Å; K717-D907 VanDerWaalsContact NZ-CG 3.29Å; K717-D907 IonicContact NZ-OD1 3.32Å; K717-D907 PolarHBondContact NZ-OD1 3.27Å; K717-D907 IonicContact NZ-OD2 3.36Å; K717-D907 PolarHBondContact NZ-OD2 3.21Å |
| 718 | H | 74 | Confident | 87.1 | Confident | 74 Ų | 74 | 33 Ų | 33 | 34% | 0.343 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 45 | -161.9 | -58.5 | -64.8 | 0 | 0 | 0 | 111.5 | S714 | S714-H718 WeakPolarHBondContact O-CA 3.46Å; S714-H718 PolarHBondContact O-N 3.45Å |
| 719 | D | 82.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -103.4 | 147.4 | 178.4 | -157.4 | 4 | 0 | 0 | 0 | 109.9 | Y713 S714 K717 D721 R790 R793 H916 | Y713-D719 WeakPolarHBondContact CD2-O 3.38Å; S714-D719 PolarHBondContact N-O 3.11Å; S714-D719 PolarHBondContact O-N 3.43Å; K717-D719 HydrophobicContact CB-CB 4Å; K717-D719 PolarHBondContact O-N 2.72Å; D719-D721 PolarHBondContact O-N 2.83Å; D719-R790 IonicContact OD2-NE 3.8Å; D719-R793 IonicContact OD1-CZ 2.79Å; D719-R793 IonicContact OD1-NE 3.91Å; D719-R793 PolarHBondContact OD1-NE 3.41Å; D719-R793 IonicContact OD1-NH2 3.91Å; D719-R793 IonicContact OD2-CZ 2.67Å; D719-R793 IonicContact OD2-NE 3.5Å; D719-R793 PolarHBondContact OD2-NE 2.74Å; D719-R793 IonicContact OD2-NH2 3.57Å; D719-R793 PolarHBondContact OD2-NH2 2.82Å; D719-H916 IonicContact OD2-CE1 2.77Å; D719-H916 PolarHBondContact OD2-CE1 2.77Å |
| 720 | N | 86.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.053 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 48.1 | 43.7 | -169.7 | -52.1 | -49.4 | 0 | 0 | 0 | 113.7 | H711 F712 I722 R793 Y852 | H711-N720 WeakPolarHBondContact O-CB 3.41Å; F712-N720 PolarHBondContact O-ND2 3.41Å; N720-I722 PolarHBondContact O-N 2.74Å; N720-R793 WeakPolarHBondContact OD1-CD 3.47Å; N720-Y852 HydrophobicContact CB-CE1 4.43Å; N720-Y852 PolarHBondContact OD1-OH 3.37Å |
| 721 | D | 92.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -77 | 63.1 | -175.9 | -171.6 | 18.6 | 0 | 0 | 0 | 112.5 | A668 A669 H670 Y713 D719 S830 V847 | A668-D721 WeakPolarHBondContact CA-O 3.35Å; A669-D721 WeakPolarHBondContact CA-OD1 3.47Å; A669-D721 PolarHBondContact N-OD1 3.47Å; H670-D721 IonicContact CE1-OD2 3.89Å; H670-D721 IonicContact CG-OD1 4Å; H670-D721 IonicContact CG-OD2 3.24Å; H670-D721 PolarHBondContact N-OD1 2.78Å; H670-D721 IonicContact ND1-OD1 3.72Å; H670-D721 PolarHBondContact ND1-OD1 3.25Å; H670-D721 IonicContact ND1-OD2 2.8Å; H670-D721 PolarHBondContact ND1-OD2 2.8Å; Y713-D721 HydrophobicContact CD2-CB 4.15Å; Y713-D721 HydrophobicContact CE2-CB 3.91Å; Y713-D721 WeakPolarHBondContact CE2-OD1 3.42Å; D719-D721 PolarHBondContact O-N 2.83Å; D721-S830 VanDerWaalsContact CB-OG 3.3Å; D721-S830 WeakPolarHBondContact CB-OG 3.16Å; D721-S830 WeakPolarHBondContact OD2-CA 3.08Å; D721-S830 VanDerWaalsContact OD2-CB 3.26Å; D721-S830 WeakPolarHBondContact OD2-CB 3.35Å; D721-S830 PolarHBondContact OD2-OG 2.97Å; D721-V847 HydrophobicContact CB-CG2 4.21Å; D721-V847 WeakPolarHBondContact O-CG2 3.21Å | ||
| 722 | I | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -141.3 | 140 | -176.8 | -171.1 | 168.4 | 0 | 0 | 0 | 111.5 | V666 H711 N720 V828 V847 M849 Y852 W855 | V666-I722 HydrophobicContact CG1-CD1 4.1Å; V666-I722 HydrophobicContact CG1-CG1 4.08Å; H711-I722 HydrophobicContact CB-CG2 4.13Å; H711-I722 PolarHBondContact N-O 2.81Å; N720-I722 PolarHBondContact O-N 2.74Å; I722-V828 HydrophobicContact CD1-CG2 4Å; I722-V828 HydrophobicContact CG1-CG2 4.33Å; I722-V847 HydrophobicContact CB-CG1 4.36Å; I722-V847 HydrophobicContact CD1-CG1 4.46Å; I722-M849 HydrophobicContact CD1-CE 4.05Å; I722-M849 HydrophobicContact CD1-SD 3.82Å; I722-Y852 HydrophobicContact CG2-CD1 3.7Å; I722-Y852 HydrophobicContact CG2-CE1 3.73Å; I722-W855 HydrophobicContact CB-CZ3 4.44Å; I722-W855 HydrophobicContact CD1-CZ3 3.77Å; I722-W855 HydrophobicContact CG1-CH2 4.19Å; I722-W855 HydrophobicContact CG1-CZ3 3.83Å; I722-W855 HydrophobicContact CG2-CH2 3.94Å; I722-W855 HydrophobicContact CG2-CZ3 3.81Å | ||
| 723 | V | 95.8 | Very high | 87 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141 | 176 | 66.1 | 0 | 0 | 0 | 0 | 110.5 | T667 A668 A669 V672 Y708 V709 T710 L725 | T667-V723 HydrophobicContact CG2-CG1 3.32Å; T667-V723 PolarHBondContact N-O 3.4Å; T667-V723 VanDerWaalsContact N-O 3.15Å; T667-V723 PolarHBondContact O-N 3.01Å; A668-V723 WeakPolarHBondContact O-CG1 3.46Å; A669-V723 HydrophobicContact CB-CB 4.46Å; V672-V723 HydrophobicContact CG1-CG1 4.17Å; V672-V723 HydrophobicContact CG2-CB 4.42Å; V672-V723 HydrophobicContact CG2-CG1 4.36Å; V672-V723 HydrophobicContact CG2-CG2 4.12Å; Y708-V723 HydrophobicContact CD2-CG2 3.82Å; Y708-V723 HydrophobicContact CG-CG2 4.18Å; V709-V723 WeakPolarHBondContact O-CA 3.4Å; V709-V723 VanDerWaalsContact O-CG2 3.31Å; V709-V723 WeakPolarHBondContact O-CG2 3.43Å; T710-V723 HydrophobicContact CG2-CB 3.98Å; T710-V723 HydrophobicContact CG2-CG2 3.72Å; V723-L725 HydrophobicContact CG1-CD2 4.14Å; V723-L725 HydrophobicContact CG2-CD2 3.97Å |
| 724 | L | 97.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.1 | 168 | -91.7 | 59.2 | 0 | 0 | 0 | 109.1 | I664 V666 Y708 V709 W855 A856 T859 M860 L863 | I664-L724 HydrophobicContact CG2-CD2 4.31Å; I664-L724 HydrophobicContact CG2-CG 4.14Å; V666-L724 HydrophobicContact CG1-CD1 4.49Å; V666-L724 HydrophobicContact CG2-CD1 4.02Å; V666-L724 HydrophobicContact CG2-CG 4.31Å; Y708-L724 WeakPolarHBondContact CA-O 3.45Å; Y708-L724 VanDerWaalsContact CB-O 3.24Å; Y708-L724 WeakPolarHBondContact CB-O 3.46Å; V709-L724 PolarHBondContact N-O 3.14Å; V709-L724 VanDerWaalsContact N-O 3.09Å; V709-L724 PolarHBondContact O-N 3.46Å; L724-W855 HydrophobicContact CD1-CE3 4.42Å; L724-W855 HydrophobicContact CD1-CH2 3.56Å; L724-W855 HydrophobicContact CD1-CZ3 3.42Å; L724-W855 VanDerWaalsContact CD1-CZ3 3.42Å; L724-A856 HydrophobicContact CD1-CB 4.42Å; L724-A856 HydrophobicContact CD2-CB 4.13Å; L724-A856 WeakPolarHBondContact CD2-O 3.14Å; L724-T859 HydrophobicContact CB-CG2 4.13Å; L724-T859 HydrophobicContact CD2-CG2 3.9Å; L724-M860 HydrophobicContact CD2-CG 3.76Å; L724-L863 HydrophobicContact CB-CD1 3.7Å |
| 725 | L | 97.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.2 | 172.9 | -47.8 | -178.9 | 0 | 0 | 0 | 108.7 | I638 V665 T667 V672 I686 V705 Y708 V723 | I638-L725 HydrophobicContact CD1-CD1 4.07Å; V665-L725 HydrophobicContact CB-CB 4.35Å; V665-L725 HydrophobicContact CG1-CD1 4.48Å; V665-L725 PolarHBondContact N-O 3.32Å; V665-L725 PolarHBondContact O-N 2.8Å; T667-L725 HydrophobicContact CG2-CD1 3.94Å; T667-L725 HydrophobicContact CG2-CG 4.16Å; V672-L725 HydrophobicContact CG1-CD2 4.05Å; I686-L725 HydrophobicContact CD1-CD1 3.91Å; V705-L725 HydrophobicContact CG1-CB 4.23Å; V705-L725 HydrophobicContact CG2-CD1 4.34Å; Y708-L725 VanDerWaalsContact CB-CD2 3.44Å; Y708-L725 HydrophobicContact CD1-CD2 4.24Å; Y708-L725 HydrophobicContact CG-CD2 3.98Å; V723-L725 HydrophobicContact CG1-CD2 4.14Å; V723-L725 HydrophobicContact CG2-CD2 3.97Å |
| 726 | R | 96.2 | Very high | 87.9 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.9 | 168.7 | -171.2 | 172.1 | -178.9 | 83.6 | 10.3 | 109.6 | D663 I664 R706 N707 L863 | D663-R726 CarbonylContact O-C 3.57Å; D663-R726 WeakPolarHBondContact O-CA 3.43Å; D663-R726 IonicContact OD1-NH1 2.69Å; D663-R726 IonicContact OD2-CZ 3.96Å; D663-R726 IonicContact OD2-NE 2.59Å; D663-R726 IonicContact OD2-NH1 2.72Å; D663-R726 PolarHBondContact OD2-NH1 2.84Å; D663-R726 IonicContact OD2-NH2 2.8Å; D663-R726 PolarHBondContact OD2-NH2 3.21Å; I664-R726 HydrophobicContact CD1-CB 4.04Å; I664-R726 HydrophobicContact CD1-CG 3.99Å; R706-R726 WeakPolarHBondContact CB-O 3.42Å; R706-R726 PolarHBondContact N-O 2.87Å; N707-R726 PolarHBondContact O-N 2.95Å; N707-R726 WeakPolarHBondContact OD1-CB 3.43Å; R726-L863 HydrophobicContact CB-CB 4.09Å; R726-L863 HydrophobicContact CB-CD1 4.35Å; R726-L863 VanDerWaalsContact CD-O 3.25Å; R726-L863 WeakPolarHBondContact CD-O 3.3Å |
| 727 | L | 95.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 147.6 | 176.5 | -54.2 | -177.8 | 0 | 0 | 0 | 110.2 | D663 V665 I686 L688 R703 L729 V731 | D663-L727 HydrophobicContact CB-CB 4.43Å; D663-L727 PolarHBondContact O-N 3.38Å; V665-L727 HydrophobicContact CG2-CD1 4.16Å; V665-L727 HydrophobicContact CG2-CD2 4.09Å; V665-L727 HydrophobicContact CG2-CG 4.29Å; I686-L727 HydrophobicContact CB-CD2 4.03Å; I686-L727 HydrophobicContact CG1-CD2 3.79Å; I686-L727 HydrophobicContact CG2-CD2 3.99Å; L688-L727 HydrophobicContact CD1-CD1 4.48Å; R703-L727 HydrophobicContact CB-CB 4.34Å; R703-L727 HydrophobicContact CB-CD1 4.17Å; R703-L727 HydrophobicContact CB-CD2 4.13Å; R703-L727 HydrophobicContact CB-CG 4.44Å; R703-L727 HydrophobicContact CG-CD1 4.17Å; L727-L729 VanDerWaalsContact C-N 3.34Å; L727-L729 PolarHBondContact O-N 3.42Å; L727-V731 HydrophobicContact CD1-CG2 3.84Å |
| 728 | K | 91.9 | Very high | 89.7 | Confident | 77 Ų | 77 | 37.7 Ų | 37.7 | 34% | 0.335 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -37.5 | 177.6 | -174.8 | 174.1 | -177.7 | 172.6 | 0 | 113.3 | D704 R706 | D704-K728 HydrophobicContact CB-CB 4.24Å; D704-K728 HydrophobicContact CB-CD 4.27Å; D704-K728 PolarHBondContact O-N 2.81Å; R706-K728 HydrophobicContact CB-CB 4.49Å |
| 729 | L | 91.2 | Very high | 90.7 | Very high | 109 Ų | 109 | 34.3 Ų | 34.3 | 57% | 0.571 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135 | 175.2 | -67.2 | 174.8 | 0 | 0 | 0 | 109.1 | R703 L727 | R703-L729 WeakPolarHBondContact CD-O 3.29Å; R703-L729 PolarHBondContact NE-O 3.31Å; L727-L729 VanDerWaalsContact C-N 3.34Å; L727-L729 PolarHBondContact O-N 3.42Å |
| 730 | P | 89.8 | Confident | 91.3 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 29% | 0.292 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 158.6 | 172.9 | -22.5 | 32.3 | 0 | 0 | 0 | 113 | L658 Q661 D663 | L658-P730 HydrophobicContact CD1-CB 4.29Å; L658-P730 HydrophobicContact CD1-CG 4.15Å; Q661-P730 HydrophobicContact CB-CB 4.35Å; Q661-P730 HydrophobicContact CG-CB 4.15Å; D663-P730 HydrophobicContact CB-CB 4.18Å; D663-P730 HydrophobicContact CB-CG 4.16Å |
| 731 | V | 87.8 | Confident | 91.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.7 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | Q661 S662 L688 I701 R703 L727 I737 | Q661-V731 CarbonylContact C-O 3.55Å; Q661-V731 WeakPolarHBondContact CA-O 3.23Å; Q661-V731 VanDerWaalsContact CB-O 3.26Å; Q661-V731 WeakPolarHBondContact CB-O 3.35Å; S662-V731 PolarHBondContact N-O 3.23Å; S662-V731 PolarHBondContact O-N 3.49Å; L688-V731 HydrophobicContact CD1-CG2 4.12Å; L688-V731 HydrophobicContact CD2-CG1 4.48Å; L688-V731 HydrophobicContact CD2-CG2 4.32Å; I701-V731 HydrophobicContact CD1-CB 4.2Å; I701-V731 HydrophobicContact CD1-CG1 3.42Å; I701-V731 VanDerWaalsContact CD1-CG1 3.42Å; I701-V731 HydrophobicContact CD1-CG2 3.81Å; R703-V731 HydrophobicContact CG-CG2 3.79Å; L727-V731 HydrophobicContact CD1-CG2 3.84Å; V731-I737 HydrophobicContact CG1-CB 4.36Å; V731-I737 HydrophobicContact CG1-CD1 3.9Å; V731-I737 HydrophobicContact CG1-CG2 3.58Å |
| 732 | R | 86.1 | Confident | 91.2 | Very high | 186 Ų | 186 | 34.9 Ų | 34.9 | 70% | 0.702 | 16% | 0.163 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 143.7 | 178 | -67.6 | -178.3 | 178.3 | 170.4 | -0.9 | 110.9 | Q661 T734 | Q661-R732 HydrophobicContact CB-CG 4.46Å; R732-T734 PolarHBondContact O-N 2.8Å |
| 733 | Y | 84 | Confident | 90.8 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | trans | -72.5 | 127 | 175.5 | -55.7 | -23.4 | 0 | 0 | 0 | 110.6 | V599 R600 L653 D655 N660 Q661 S662 I737 P739 | V599-Y733 HydrophobicContact CG1-CD2 4.32Å; V599-Y733 HydrophobicContact CG1-CE2 3.84Å; R600-Y733 HydrophobicContact CB-CD2 4.44Å; L653-Y733 HydrophobicContact CD2-CE1 4.4Å; D655-Y733 PolarHBondContact OD1-OH 3.5Å; N660-Y733 VanDerWaalsContact C-CD2 3.46Å; N660-Y733 PolarHBondContact O-N 2.97Å; Q661-Y733 VanDerWaalsContact C-CZ 3.42Å; Q661-Y733 PolarHBondContact O-OH 2.8Å; Q661-Y733 VanDerWaalsContact O-OH 3.08Å; S662-Y733 WeakPolarHBondContact CB-OH 2.88Å; Y733-I737 CarbonylContact C-O 3.56Å; Y733-I737 VanDerWaalsContact CA-O 3.24Å; Y733-I737 WeakPolarHBondContact CA-O 3.49Å; Y733-P739 VanDerWaalsContact CE1-CD 3.46Å; Y733-P739 HydrophobicContact CE1-CG 3.97Å; Y733-P739 HydrophobicContact CE2-CG 4.2Å | ||
| 734 | T | 82.6 | Confident | 89.9 | Confident | 51 Ų | 51 | 36.6 Ų | 36.6 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | trans | -125.7 | -172.1 | 175.9 | 75.1 | 0 | 0 | 0 | 0 | 109.8 | R600 R732 E736 I737 | R600-T734 VanDerWaalsContact NH1-C 3.33Å; R600-T734 PolarHBondContact NH1-O 3.22Å; R732-T734 PolarHBondContact O-N 2.8Å; T734-E736 WeakPolarHBondContact CB-OE2 3.38Å; T734-E736 PolarHBondContact O-N 2.77Å; T734-E736 PolarHBondContact OG1-N 3.11Å; T734-E736 VanDerWaalsContact OG1-N 3.13Å; T734-E736 PolarHBondContact OG1-OE2 2.82Å; T734-I737 PolarHBondContact N-O 2.55Å; T734-I737 PolarHBondContact OG1-N 2.77Å; T734-I737 VanDerWaalsContact OG1-N 3.1Å | ||
| 735 | K | 80.6 | Confident | 88.7 | Confident | 132 Ų | 132 | 42.2 Ų | 42.2 | 57% | 0.574 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -69.1 | -24.9 | 173.3 | -66.5 | 178.2 | -178.8 | 177.3 | 0 | 111.3 | A606 | A606-K735 HydrophobicContact CB-CB 3.89Å; A606-K735 HydrophobicContact CB-CG 4.02Å |
| 736 | E | 90.9 | Very high | 87 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -101.1 | -16.8 | -174.1 | -52.6 | 76.8 | -163.2 | 0 | 0 | 113.4 | N630 P633 T734 | N630-E736 HydrophobicContact CB-CB 4.02Å; N630-E736 HydrophobicContact CB-CG 3.84Å; P633-E736 WeakPolarHBondContact CA-O 3.48Å; P633-E736 VanDerWaalsContact CB-O 3.28Å; P633-E736 WeakPolarHBondContact CB-O 3.26Å; T734-E736 WeakPolarHBondContact CB-OE2 3.38Å; T734-E736 PolarHBondContact O-N 2.77Å; T734-E736 PolarHBondContact OG1-N 3.11Å; T734-E736 VanDerWaalsContact OG1-N 3.13Å; T734-E736 PolarHBondContact OG1-OE2 2.82Å |
| 737 | I | 93 | Very high | 85.4 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | trans | -131.9 | 118.2 | 178.1 | -52.3 | 172.8 | 0 | 0 | 0 | 110.3 | P633 L653 L688 I701 V731 Y733 T734 | P633-I737 WeakPolarHBondContact O-CA 3.36Å; L653-I737 HydrophobicContact CD2-CG2 3.83Å; L688-I737 HydrophobicContact CB-CD1 4.01Å; L688-I737 HydrophobicContact CB-CG1 4.36Å; L688-I737 HydrophobicContact CB-CG2 4.46Å; L688-I737 HydrophobicContact CD2-CG2 4.31Å; I701-I737 HydrophobicContact CD1-CD1 3.59Å; I701-I737 HydrophobicContact CG1-CD1 3.76Å; V731-I737 HydrophobicContact CG1-CB 4.36Å; V731-I737 HydrophobicContact CG1-CD1 3.9Å; V731-I737 HydrophobicContact CG1-CG2 3.58Å; Y733-I737 CarbonylContact C-O 3.56Å; Y733-I737 VanDerWaalsContact CA-O 3.24Å; Y733-I737 WeakPolarHBondContact CA-O 3.49Å; T734-I737 PolarHBondContact N-O 2.55Å; T734-I737 PolarHBondContact OG1-N 2.77Å; T734-I737 VanDerWaalsContact OG1-N 3.1Å | ||
| 738 | S | 92.3 | Very high | 83.9 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | trans | -164.3 | 152.4 | 174.3 | 54.1 | 0 | 0 | 0 | 0 | 109.7 | P633 W634 | P633-S738 CarbonylContact C-O 3.55Å; P633-S738 VanDerWaalsContact C-O 3.31Å; P633-S738 WeakPolarHBondContact CB-OG 3.47Å; P633-S738 WeakPolarHBondContact CG-OG 3.48Å; P633-S738 PolarHBondContact O-N 3.34Å; W634-S738 WeakPolarHBondContact CA-O 3.27Å; W634-S738 WeakPolarHBondContact CB-O 3.42Å; W634-S738 PolarHBondContact N-O 2.91Å | ||
| 739 | P | 95 | Very high | 82.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 154.2 | -168.7 | 32.5 | -36.3 | 0 | 0 | 0 | 112.3 | C602 G603 L653 I654 D655 Y733 | C602-P739 HydrophobicContact CB-CB 4.47Å; C602-P739 HydrophobicContact CB-CG 4.03Å; G603-P739 PolarHBondContact N-O 2.94Å; L653-P739 HydrophobicContact CG-CB 4.4Å; L653-P739 VanDerWaalsContact O-CA 3.27Å; L653-P739 WeakPolarHBondContact O-CA 3.06Å; I654-P739 VanDerWaalsContact C-CB 3.4Å; D655-P739 HydrophobicContact CB-CB 4.36Å; D655-P739 HydrophobicContact CB-CG 4.17Å; Y733-P739 VanDerWaalsContact CE1-CD 3.46Å; Y733-P739 HydrophobicContact CE1-CG 3.97Å; Y733-P739 HydrophobicContact CE2-CG 4.2Å |
| 740 | V | 95.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -85.8 | 152.1 | 162.6 | 68.5 | 0 | 0 | 0 | 0 | 109.2 | W634 F652 L653 I654 F816 Y823 A825 | W634-V740 HydrophobicContact CB-CB 3.89Å; W634-V740 HydrophobicContact CB-CG1 4.22Å; W634-V740 HydrophobicContact CD2-CB 3.74Å; W634-V740 HydrophobicContact CD2-CG2 4.2Å; W634-V740 HydrophobicContact CE3-CB 4.1Å; W634-V740 HydrophobicContact CG-CB 3.64Å; W634-V740 HydrophobicContact CG-CG1 4.22Å; W634-V740 HydrophobicContact CG-CG2 4.45Å; F652-V740 HydrophobicContact CB-CG1 4.38Å; F652-V740 HydrophobicContact CD2-CG1 3.51Å; F652-V740 HydrophobicContact CE2-CG1 4.18Å; F652-V740 HydrophobicContact CG-CG1 4.3Å; L653-V740 PolarHBondContact O-N 3.09Å; I654-V740 HydrophobicContact CG2-CG1 4.39Å; V740-F816 HydrophobicContact CG2-CB 4.43Å; V740-Y823 VanDerWaalsContact CG2-O 3.24Å; V740-Y823 WeakPolarHBondContact CG2-O 3.23Å; V740-A825 HydrophobicContact CG1-CB 3.74Å; V740-A825 HydrophobicContact CG2-CB 4.23Å |
| 741 | C | 88.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 147 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | C602 R822 Y823 F824 A825 | C602-C741 HydrophobicContact CB-CB 4.05Å; C602-C741 WeakPolarHBondContact CB-SG 3.42Å; C602-C741 PolarHBondContact O-SG 2.71Å; C602-C741 WeakPolarHBondContact SG-CA 3.43Å; C602-C741 WeakPolarHBondContact SG-CB 3.48Å; C602-C741 CovalentContact SG-SG 2.05Å; C602-C741 PolarHBondContact SG-SG 3.33Å; C741-R822 PolarHBondContact SG-NH2 3.4Å; C741-Y823 PolarHBondContact N-O 2.71Å; C741-Y823 VanDerWaalsContact N-O 3.14Å; C741-F824 HydrophobicContact CB-CB 4.46Å; C741-F824 HydrophobicContact CB-CD1 3.27Å; C741-F824 HydrophobicContact CB-CD2 4.49Å; C741-F824 HydrophobicContact CB-CE1 3.45Å; C741-F824 VanDerWaalsContact CB-CE1 3.45Å; C741-F824 HydrophobicContact CB-CG 3.84Å; C741-F824 HydrophobicContact CB-CZ 4.17Å; C741-F824 CarbonylContact O-C 3.54Å; C741-F824 WeakPolarHBondContact O-CA 3.36Å; C741-A825 PolarHBondContact O-N 3.03Å |
| 742 | L | 88.4 | Confident | 78.1 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.4 | 168.8 | -152.9 | 64.5 | 0 | 0 | 0 | 109.6 | I654 M849 A856 | I654-L742 HydrophobicContact CG2-CD1 4.25Å; L742-M849 HydrophobicContact CD1-CE 3.48Å; L742-M849 VanDerWaalsContact CD1-CE 3.48Å; L742-M849 HydrophobicContact CD1-CG 3.58Å; L742-M849 HydrophobicContact CD1-SD 3.72Å; L742-M849 HydrophobicContact CD2-CE 3.98Å; L742-M849 HydrophobicContact CG-CE 3.96Å; L742-M849 HydrophobicContact CG-CG 4.09Å; L742-A856 HydrophobicContact CD2-CB 3.94Å |
| 743 | A | 85.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 142.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V748 A825 V826 D850 | A743-V748 HydrophobicContact CB-CG2 3.95Å; A743-A825 VanDerWaalsContact CB-O 3.24Å; A743-A825 WeakPolarHBondContact CB-O 3.43Å; A743-A825 PolarHBondContact N-O 3.42Å; A743-V826 HydrophobicContact CB-CB 4.36Å; A743-V826 HydrophobicContact CB-CG1 3.97Å; A743-D850 HydrophobicContact CB-CB 4.48Å |
| 744 | T | 77.6 | Confident | 77.9 | Confident | 35 Ų | 35 | 57 Ų | 57 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | trans | -116.3 | 165 | 168.3 | 75.3 | 0 | 0 | 0 | 0 | 110.2 | H746 T747 V748 | T744-H746 PolarHBondContact O-N 3.21Å; T744-H746 VanDerWaalsContact O-N 3.14Å; T744-H746 PolarHBondContact OG1-N 2.68Å; T744-T747 PolarHBondContact N-OG1 3.08Å; T744-T747 PolarHBondContact O-N 3.17Å; T744-T747 PolarHBondContact O-OG1 3.15Å; T744-T747 PolarHBondContact OG1-N 3.1Å; T744-V748 PolarHBondContact O-N 2.8Å; T744-V748 VanDerWaalsContact O-N 3.14Å | ||
| 745 | K | 71.8 | Confident | 78.4 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.3 | -33.5 | 174.9 | -66.5 | -179.5 | -179.7 | 170.6 | 0 | 112.8 | N749 N851 | K745-N749 VanDerWaalsContact O-CG 3.31Å; K745-N749 PolarHBondContact O-N 2.54Å; K745-N749 PolarHBondContact O-OD1 2.83Å; K745-N851 WeakPolarHBondContact CE-OD1 3.4Å |
| 746 | H | 61.6 | Low | 79.1 | Confident | 160 Ų | 160 | 49 Ų | 49 | 74% | 0.741 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -69 | -39.5 | 177 | -64.4 | -71.1 | 0 | 0 | 0 | 112.6 | T744 | T744-H746 PolarHBondContact O-N 3.21Å; T744-H746 VanDerWaalsContact O-N 3.14Å; T744-H746 PolarHBondContact OG1-N 2.68Å |
| 747 | T | 63.7 | Low | 79.2 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | T744 T750 F824 | T744-T747 PolarHBondContact N-OG1 3.08Å; T744-T747 PolarHBondContact O-N 3.17Å; T744-T747 PolarHBondContact O-OG1 3.15Å; T744-T747 PolarHBondContact OG1-N 3.1Å; T747-T750 PolarHBondContact O-OG1 2.9Å; T747-F824 HydrophobicContact CG2-CD1 4.1Å; T747-F824 HydrophobicContact CG2-CE1 3.73Å; T747-F824 HydrophobicContact CG2-CZ 4.12Å |
| 748 | V | 64.8 | Low | 79.2 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.9 | -15.1 | -177 | 177.8 | 0 | 0 | 0 | 0 | 113 | A743 T744 T750 L752 V826 D850 | A743-V748 HydrophobicContact CB-CG2 3.95Å; T744-V748 PolarHBondContact O-N 2.8Å; T744-V748 VanDerWaalsContact O-N 3.14Å; V748-T750 PolarHBondContact O-N 2.79Å; V748-T750 VanDerWaalsContact O-N 3.07Å; V748-L752 HydrophobicContact CB-CD1 4.35Å; V748-L752 HydrophobicContact CG1-CD1 4.16Å; V748-L752 HydrophobicContact CG2-CD1 4.24Å; V748-V826 HydrophobicContact CG2-CG1 4.36Å; V748-D850 HydrophobicContact CB-CB 4.41Å; V748-D850 HydrophobicContact CG2-CB 3.79Å |
| 749 | N | 57.6 | Low | 79.2 | Confident | 136 Ų | 136 | 46.4 Ų | 46.4 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -4.2 | 172.1 | -80.6 | -11.4 | 0 | 0 | 0 | 114 | K745 | K745-N749 VanDerWaalsContact O-CG 3.31Å; K745-N749 PolarHBondContact O-N 2.54Å; K745-N749 PolarHBondContact O-OD1 2.83Å |
| 750 | T | 50.4 | Low | 79 | Confident | 56 Ų | 56 | 46.7 Ų | 46.7 | 34% | 0.344 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -75.4 | 143.2 | 166.2 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | T747 V748 L752 I819 | T747-T750 PolarHBondContact O-OG1 2.9Å; V748-T750 PolarHBondContact O-N 2.79Å; V748-T750 VanDerWaalsContact O-N 3.07Å; T750-L752 VanDerWaalsContact C-N 3.3Å; T750-L752 WeakPolarHBondContact O-CG 3.32Å; T750-L752 PolarHBondContact O-N 3.44Å; T750-I819 HydrophobicContact CG2-CG2 4.23Å |
| 751 | N | 57.4 | Low | 78.5 | Confident | 152 Ų | 152 | 47 Ų | 47 | 81% | 0.813 | 25% | 0.25 | S | C | * | . | trans | -64.5 | 88.2 | 178.5 | -73.4 | -20.5 | 0 | 0 | 0 | 110.5 | D753 | N751-D753 PolarHBondContact O-N 2.94Å; N751-D753 VanDerWaalsContact O-N 3.13Å | ||
| 752 | L | 71.9 | Confident | 78 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | trans | -84.2 | 78.6 | -179.3 | -67.4 | 179.2 | 0 | 0 | 0 | 110.6 | V748 T750 I779 C817 I819 V826 | V748-L752 HydrophobicContact CB-CD1 4.35Å; V748-L752 HydrophobicContact CG1-CD1 4.16Å; V748-L752 HydrophobicContact CG2-CD1 4.24Å; T750-L752 VanDerWaalsContact C-N 3.3Å; T750-L752 WeakPolarHBondContact O-CG 3.32Å; T750-L752 PolarHBondContact O-N 3.44Å; L752-I779 HydrophobicContact CB-CD1 4.16Å; L752-I779 WeakPolarHBondContact O-CB 3.47Å; L752-C817 HydrophobicContact CD2-CB 3.87Å; L752-I819 HydrophobicContact CD1-CD1 4.37Å; L752-I819 HydrophobicContact CD2-CD1 3.96Å; L752-I819 HydrophobicContact CD2-CG1 3.9Å; L752-V826 HydrophobicContact CD1-CG1 3.9Å | ||
| 753 | D | 79.3 | Confident | 77.3 | Confident | 114 Ų | 114 | 48.1 Ų | 48.1 | 61% | 0.61 | 26% | 0.26 | S | S | * | . | trans | -81.6 | -31.1 | -179.7 | -67.2 | -21.4 | 0 | 0 | 0 | 112.7 | N751 R778 I779 | N751-D753 PolarHBondContact O-N 2.94Å; N751-D753 VanDerWaalsContact O-N 3.13Å; D753-R778 WeakPolarHBondContact O-CA 3.38Å; D753-I779 PolarHBondContact O-N 3.07Å; D753-I779 VanDerWaalsContact O-N 3.16Å | ||
| 754 | T | 87.4 | Confident | 76.3 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 129.3 | -173.9 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | R776 I777 Y800 | T754-R776 HydrophobicContact CG2-CB 4.16Å; T754-R776 HydrophobicContact CG2-CG 4.17Å; T754-I777 WeakPolarHBondContact CA-O 3.4Å; T754-Y800 HydrophobicContact CG2-CD2 3.65Å; T754-Y800 HydrophobicContact CG2-CE2 3.94Å; T754-Y800 HydrophobicContact CG2-CG 4.41Å |
| 755 | C | 93.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | -173 | -179.9 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | R776 I777 L815 C817 | C755-R776 CarbonylContact O-C 3.58Å; C755-R776 WeakPolarHBondContact O-CA 3.45Å; C755-I777 PolarHBondContact N-O 3.01Å; C755-I777 PolarHBondContact O-N 3.39Å; C755-L815 HydrophobicContact CB-CD1 3.85Å; C755-L815 HydrophobicContact CB-CG 4.05Å; C755-C817 HydrophobicContact CB-CB 3.98Å; C755-C817 WeakPolarHBondContact CB-SG 3.48Å; C755-C817 WeakPolarHBondContact SG-CB 3.09Å; C755-C817 CovalentContact SG-SG 2.02Å; C755-C817 PolarHBondContact SG-SG 3.28Å |
| 756 | F | 94.5 | Very high | 75 | Confident | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147 | -177.6 | -59.4 | -87.8 | 0 | 0 | 0 | 111.4 | K611 T775 R776 F816 Y823 | K611-F756 HydrophobicContact CB-CZ 4.26Å; K611-F756 HydrophobicContact CG-CZ 4.38Å; F756-T775 VanDerWaalsContact CA-O 3.28Å; F756-T775 WeakPolarHBondContact CA-O 3.42Å; F756-R776 HydrophobicContact CD1-CG 3.78Å; F756-R776 HydrophobicContact CE1-CG 3.51Å; F756-R776 HydrophobicContact CZ-CG 4.27Å; F756-F816 HydrophobicContact CB-CD1 4.43Å; F756-F816 HydrophobicContact CB-CD2 4Å; F756-F816 HydrophobicContact CB-CE1 4Å; F756-F816 HydrophobicContact CB-CE2 3.52Å; F756-F816 HydrophobicContact CB-CG 4.44Å; F756-F816 HydrophobicContact CB-CZ 3.52Å; F756-F816 HydrophobicContact CD2-CE2 4.41Å; F756-F816 HydrophobicContact CG-CE2 4.21Å; F756-F816 PolarHBondContact N-O 3.29Å; F756-F816 WeakPolarHBondContact O-CD1 3.25Å; F756-F816 PolarHBondContact O-N 3.19Å; F756-Y823 HydrophobicContact CD2-CE1 4.3Å; F756-Y823 HydrophobicContact CE2-CE1 4.34Å |
| 757 | A | 93.4 | Very high | 75.5 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | Q774 T775 I777 P806 Y846 | A757-Q774 CarbonylContact O-C 3.59Å; A757-Q774 VanDerWaalsContact O-CA 3.23Å; A757-Q774 WeakPolarHBondContact O-CA 3.3Å; A757-T775 PolarHBondContact N-O 3.19Å; A757-T775 PolarHBondContact O-N 2.71Å; A757-I777 HydrophobicContact CB-CG1 3.74Å; A757-P806 HydrophobicContact CB-CG 3.61Å; A757-Y846 WeakPolarHBondContact CB-OH 3.13Å |
| 758 | A | 93.5 | Very high | 76.1 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L632 M635 L772 K773 Q774 S813 F816 | L632-A758 HydrophobicContact CD1-CB 3.45Å; L632-A758 VanDerWaalsContact CD1-CB 3.45Å; M635-A758 HydrophobicContact CE-CB 4.19Å; M635-A758 WeakPolarHBondContact CE-O 3.48Å; M635-A758 HydrophobicContact SD-CB 4.19Å; A758-L772 HydrophobicContact CB-CD1 4.33Å; A758-K773 CarbonylContact C-O 3.54Å; A758-K773 WeakPolarHBondContact CA-O 3.5Å; A758-K773 WeakPolarHBondContact CB-O 3.47Å; A758-Q774 HydrophobicContact CB-CB 3.83Å; A758-S813 VanDerWaalsContact O-CB 3.29Å; A758-S813 WeakPolarHBondContact O-CB 3.49Å; A758-F816 HydrophobicContact CB-CE1 4.01Å; A758-F816 HydrophobicContact CB-CZ 4.27Å |
| 759 | G | 91.9 | Very high | 76.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.3 | -174.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K773 D810 | G759-K773 PolarHBondContact N-O 3.05Å; G759-K773 PolarHBondContact O-N 3.36Å; G759-K773 VanDerWaalsContact O-N 3.12Å; G759-D810 VanDerWaalsContact C-OD1 3.24Å; G759-D810 WeakPolarHBondContact CA-OD1 3.47Å |
| 760 | W | 91.5 | Very high | 77.9 | Confident | 8 Ų | 8 | 44 Ų | 44 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -112 | 15.1 | -177.6 | -63.4 | -90.2 | 0 | 0 | 0 | 112.6 | M635 H637 A690 H691 L693 A768 S769 L772 D810 | M635-W760 HydrophobicContact CB-CH2 3.68Å; M635-W760 HydrophobicContact CB-CZ3 4.08Å; M635-W760 HydrophobicContact CE-CZ3 4.23Å; H637-W760 HydrophobicContact CB-CE3 4.14Å; H637-W760 HydrophobicContact CB-CH2 4.5Å; H637-W760 HydrophobicContact CB-CZ3 4.03Å; A690-W760 HydrophobicContact CB-CZ2 4.41Å; A690-W760 WeakPolarHBondContact O-CZ2 3.35Å; H691-W760 PolarHBondContact O-NE1 3.01Å; L693-W760 HydrophobicContact CD1-CB 3.81Å; L693-W760 HydrophobicContact CD1-CD2 4.06Å; L693-W760 HydrophobicContact CD1-CG 3.55Å; L693-W760 HydrophobicContact CG-CD2 4.45Å; L693-W760 HydrophobicContact CG-CG 4.13Å; W760-A768 WeakPolarHBondContact O-CB 3.28Å; W760-S769 PolarHBondContact O-N 2.93Å; W760-L772 HydrophobicContact CD2-CD1 3.85Å; W760-L772 HydrophobicContact CE3-CD1 4.01Å; W760-L772 HydrophobicContact CH2-CD1 3.94Å; W760-L772 HydrophobicContact CH2-CD2 4.43Å; W760-L772 HydrophobicContact CZ2-CB 3.93Å; W760-L772 HydrophobicContact CZ2-CD1 3.74Å; W760-L772 HydrophobicContact CZ2-CD2 4.13Å; W760-L772 HydrophobicContact CZ2-CG 4.14Å; W760-L772 HydrophobicContact CZ3-CD1 4.06Å; W760-D810 PolarHBondContact N-OD1 3.21Å; W760-D810 VanDerWaalsContact N-OD1 3.14Å |
| 761 | G | 84 | Confident | 79.8 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | trans | -63.1 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T763 S769 R808 D810 | G761-T763 PolarHBondContact O-N 3.18Å; G761-S769 PolarHBondContact O-N 2.77Å; G761-R808 CarbonylContact C-O 3.59Å; G761-R808 WeakPolarHBondContact CA-O 3.26Å; G761-D810 VanDerWaalsContact CA-OD1 3.29Å; G761-D810 WeakPolarHBondContact CA-OD1 3.22Å; G761-D810 PolarHBondContact N-OD1 3.5Å | ||
| 762 | A | 77.3 | Confident | 81.4 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 132.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C807 R808 | A762-C807 HydrophobicContact CB-CB 4.43Å; A762-C807 VanDerWaalsContact O-CB 3.28Å; A762-C807 WeakPolarHBondContact O-CB 3.43Å; A762-R808 HydrophobicContact CB-CB 4.32Å; A762-R808 PolarHBondContact N-O 2.76Å |
| 763 | T | 75 | Confident | 82.3 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | trans | -97.4 | 179.5 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 111 | G761 A765 G766 S767 K773 | G761-T763 PolarHBondContact O-N 3.18Å; T763-A765 PolarHBondContact O-N 2.91Å; T763-A765 PolarHBondContact OG1-N 2.72Å; T763-G766 PolarHBondContact O-N 2.92Å; T763-S767 PolarHBondContact N-O 3.03Å; T763-S767 PolarHBondContact OG1-O 2.82Å; T763-K773 HydrophobicContact CG2-CD 4.28Å | ||
| 764 | E | 65 | Low | 83 | Confident | 92 Ų | 92 | 31.2 Ų | 31.2 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.3 | 171 | 65 | -81.9 | -169.3 | 0 | 0 | 113.8 | G766 | E764-G766 PolarHBondContact O-N 2.95Š|
| 765 | A | 58.8 | Low | 83.1 | Confident | 77 Ų | 77 | 28.9 Ų | 28.9 | 64% | 0.636 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T763 S767 | T763-A765 PolarHBondContact O-N 2.91Å; T763-A765 PolarHBondContact OG1-N 2.72Å; A765-S767 PolarHBondContact O-N 3.44Å |
| 766 | G | 61.7 | Low | 83 | Confident | 66 Ų | 66 | 30.9 Ų | 30.9 | 68% | 0.68 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 76.5 | -8.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T763 E764 | T763-G766 PolarHBondContact O-N 2.92Å; E764-G766 PolarHBondContact O-N 2.95Å |
| 767 | S | 72.7 | Confident | 82.9 | Confident | 69 Ų | 69 | 30.1 Ų | 30.1 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -104 | 151.9 | 176.9 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | T763 A765 | T763-S767 PolarHBondContact N-O 3.03Å; T763-S767 PolarHBondContact OG1-O 2.82Å; A765-S767 PolarHBondContact O-N 3.44Å |
| 768 | A | 75.7 | Confident | 82.8 | Confident | 71 Ų | 71 | 35.4 Ų | 35.4 | 59% | 0.587 | 23% | 0.228 | S | C | * | . | B | Isolated β-bridge | trans | -61.6 | 141.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W760 | W760-A768 WeakPolarHBondContact O-CB 3.28Å |
| 769 | S | 78.8 | Confident | 82.7 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 130.8 | 177.2 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | W760 G761 A771 | W760-S769 PolarHBondContact O-N 2.93Å; G761-S769 PolarHBondContact O-N 2.77Å; S769-A771 VanDerWaalsContact CB-O 3.32Å; S769-A771 WeakPolarHBondContact CB-O 3.43Å; S769-A771 PolarHBondContact OG-O 2.9Å |
| 770 | A | 83 | Confident | 82.6 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -66.8 | -45.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | D692 L693 N694 | D692-A770 CarbonylContact C-O 3.47Å; D692-A770 VanDerWaalsContact CA-O 3.3Å; D692-A770 WeakPolarHBondContact CA-O 3.02Å; D692-A770 WeakPolarHBondContact OD1-CB 3.16Å; L693-A770 PolarHBondContact N-O 3.36Å; N694-A770 HydrophobicContact CB-CB 4.09Å; N694-A770 VanDerWaalsContact ND2-CB 3.27Å; N694-A770 WeakPolarHBondContact ND2-CB 3.49Å |
| 771 | A | 88.9 | Confident | 82.3 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -88.4 | 144 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E626 H691 S769 K773 | E626-A771 HydrophobicContact CG-CB 4.01Å; H691-A771 CarbonylContact O-C 3.54Å; H691-A771 WeakPolarHBondContact O-CA 3.05Å; S769-A771 VanDerWaalsContact CB-O 3.32Å; S769-A771 WeakPolarHBondContact CB-O 3.43Å; S769-A771 PolarHBondContact OG-O 2.9Å; A771-K773 PolarHBondContact O-N 3.23Å |
| 772 | L | 91.8 | Very high | 82.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -62.5 | 122.7 | 177.2 | -178.9 | 62 | 0 | 0 | 0 | 110.6 | A627 L632 M635 H691 A758 W760 | A627-L772 HydrophobicContact CB-CD2 4.25Å; A627-L772 HydrophobicContact CB-CG 4.18Å; A627-L772 PolarHBondContact N-O 2.92Å; L632-L772 HydrophobicContact CB-CD2 4.07Å; L632-L772 HydrophobicContact CD1-CD2 4.07Å; M635-L772 HydrophobicContact CB-CD2 4.24Å; M635-L772 HydrophobicContact CE-CD1 4.31Å; M635-L772 HydrophobicContact CG-CD1 4.46Å; M635-L772 HydrophobicContact CG-CD2 3.99Å; H691-L772 PolarHBondContact O-N 3.37Å; A758-L772 HydrophobicContact CB-CD1 4.33Å; W760-L772 HydrophobicContact CD2-CD1 3.85Å; W760-L772 HydrophobicContact CE3-CD1 4.01Å; W760-L772 HydrophobicContact CH2-CD1 3.94Å; W760-L772 HydrophobicContact CH2-CD2 4.43Å; W760-L772 HydrophobicContact CZ2-CB 3.93Å; W760-L772 HydrophobicContact CZ2-CD1 3.74Å; W760-L772 HydrophobicContact CZ2-CD2 4.13Å; W760-L772 HydrophobicContact CZ2-CG 4.14Å; W760-L772 HydrophobicContact CZ3-CD1 4.06Å | ||
| 773 | K | 91.7 | Very high | 82.3 | Confident | 63 Ų | 63 | 44 Ų | 44 | 27% | 0.274 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 155.2 | 174 | -67.8 | -172.4 | -180 | -176.2 | 0 | 110.7 | W625 A758 G759 T763 A771 | W625-K773 CarbonylContact O-C 3.54Å; W625-K773 WeakPolarHBondContact O-CA 3.25Å; A758-K773 CarbonylContact C-O 3.54Å; A758-K773 WeakPolarHBondContact CA-O 3.5Å; A758-K773 WeakPolarHBondContact CB-O 3.47Å; G759-K773 PolarHBondContact N-O 3.05Å; G759-K773 PolarHBondContact O-N 3.36Å; G759-K773 VanDerWaalsContact O-N 3.12Å; T763-K773 HydrophobicContact CG2-CD 4.28Å; A771-K773 PolarHBondContact O-N 3.23Å |
| 774 | Q | 92.6 | Very high | 82.6 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 160.1 | 176.4 | 60.9 | 172.2 | 55.7 | 0 | 0 | 111.7 | L610 W625 A627 L632 A757 A758 | L610-Q774 PolarHBondContact O-NE2 3.44Å; W625-Q774 HydrophobicContact CD2-CG 4.32Å; W625-Q774 VanDerWaalsContact CE2-NE2 3.32Å; W625-Q774 HydrophobicContact CG-CG 4.48Å; W625-Q774 HydrophobicContact CZ2-CG 4.19Å; W625-Q774 VanDerWaalsContact CZ2-NE2 3.33Å; W625-Q774 PolarHBondContact N-O 3.03Å; W625-Q774 PolarHBondContact O-N 3.28Å; A627-Q774 HydrophobicContact CB-CG 4.16Å; L632-Q774 HydrophobicContact CD1-CB 4.24Å; A757-Q774 CarbonylContact O-C 3.59Å; A757-Q774 VanDerWaalsContact O-CA 3.23Å; A757-Q774 WeakPolarHBondContact O-CA 3.3Å; A758-Q774 HydrophobicContact CB-CB 3.83Å |
| 775 | T | 90.8 | Very high | 83.5 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 169.2 | 173.9 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | F756 A757 I777 S804 | F756-T775 VanDerWaalsContact CA-O 3.28Å; F756-T775 WeakPolarHBondContact CA-O 3.42Å; A757-T775 PolarHBondContact N-O 3.19Å; A757-T775 PolarHBondContact O-N 2.71Å; T775-I777 HydrophobicContact CG2-CD1 3.93Å; T775-I777 HydrophobicContact CG2-CG1 4.21Å; T775-S804 WeakPolarHBondContact CB-OG 3.35Å; T775-S804 PolarHBondContact OG1-OG 2.95Å |
| 776 | R | 91.1 | Very high | 84.2 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143.4 | 169.6 | -81.7 | 174.6 | 179.8 | 153.8 | -9.3 | 111 | K611 V612 W625 T754 C755 F756 Y800 Y801 | K611-R776 PolarHBondContact O-NE 3.21Å; K611-R776 PolarHBondContact O-NH1 2.99Å; K611-R776 PolarHBondContact O-NH2 3.27Å; V612-R776 VanDerWaalsContact CG1-NH1 3.31Å; W625-R776 HydrophobicContact CH2-CG 4.19Å; T754-R776 HydrophobicContact CG2-CB 4.16Å; T754-R776 HydrophobicContact CG2-CG 4.17Å; C755-R776 CarbonylContact O-C 3.58Å; C755-R776 WeakPolarHBondContact O-CA 3.45Å; F756-R776 HydrophobicContact CD1-CG 3.78Å; F756-R776 HydrophobicContact CE1-CG 3.51Å; F756-R776 HydrophobicContact CZ-CG 4.27Å; R776-Y800 HydrophobicContact CB-CD1 3.95Å; R776-Y800 HydrophobicContact CB-CD2 4.42Å; R776-Y800 HydrophobicContact CB-CG 3.76Å; R776-Y800 WeakPolarHBondContact O-CB 3.42Å; R776-Y800 PolarHBondContact O-N 3.34Å; R776-Y801 HydrophobicContact CB-CD2 4.3Å; R776-Y801 HydrophobicContact CB-CE2 3.99Å; R776-Y801 HydrophobicContact CG-CE2 4.35Å; R776-Y801 PolarHBondContact NH1-OH 3.47Å |
| 777 | I | 91.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.3 | -177.8 | -64.3 | -61.6 | 0 | 0 | 0 | 109 | T754 C755 A757 T775 V797 F805 L815 | T754-I777 WeakPolarHBondContact CA-O 3.4Å; C755-I777 PolarHBondContact N-O 3.01Å; C755-I777 PolarHBondContact O-N 3.39Å; A757-I777 HydrophobicContact CB-CG1 3.74Å; T775-I777 HydrophobicContact CG2-CD1 3.93Å; T775-I777 HydrophobicContact CG2-CG1 4.21Å; I777-V797 HydrophobicContact CG2-CB 3.41Å; I777-V797 VanDerWaalsContact CG2-CB 3.41Å; I777-V797 HydrophobicContact CG2-CG1 3.72Å; I777-V797 HydrophobicContact CG2-CG2 3.82Å; I777-F805 HydrophobicContact CD1-CD2 3.93Å; I777-F805 HydrophobicContact CD1-CE2 4.1Å; I777-L815 HydrophobicContact CB-CD1 4.03Å; I777-L815 HydrophobicContact CG2-CD1 4Å |
| 778 | R | 91.9 | Very high | 84.2 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.9 | 175.2 | -67.2 | 179.6 | -172.2 | 166.4 | 8.5 | 109.5 | D753 V797 R798 Y800 | D753-R778 WeakPolarHBondContact O-CA 3.38Å; R778-V797 CarbonylContact O-C 3.58Å; R778-V797 WeakPolarHBondContact O-CA 3.32Å; R778-V797 WeakPolarHBondContact O-CB 3.34Å; R778-R798 PolarHBondContact N-O 3.3Å; R778-R798 PolarHBondContact O-N 3.46Å; R778-Y800 HydrophobicContact CG-CD2 3.66Å; R778-Y800 HydrophobicContact CG-CG 4.3Å; R778-Y800 PolarHBondContact NH2-O 3.3Å |
| 779 | I | 91.3 | Very high | 83.8 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 18% | 0.179 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.9 | 167.7 | -59.3 | 177.2 | 0 | 0 | 0 | 106.8 | L752 D753 L795 V797 L815 V826 | L752-I779 HydrophobicContact CB-CD1 4.16Å; L752-I779 WeakPolarHBondContact O-CB 3.47Å; D753-I779 PolarHBondContact O-N 3.07Å; D753-I779 VanDerWaalsContact O-N 3.16Å; I779-L795 HydrophobicContact CG2-CD2 4.34Å; I779-V797 HydrophobicContact CG1-CG1 4.25Å; I779-L815 HydrophobicContact CD1-CD2 3.98Å; I779-L815 HydrophobicContact CG1-CD2 4.02Å; I779-V826 HydrophobicContact CD1-CG2 4.43Å |
| 780 | V | 89.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.1 | -179.2 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | I782 C796 R798 | V780-I782 PolarHBondContact O-N 3.44Å; V780-C796 HydrophobicContact CG2-CB 3.97Å; V780-C796 PolarHBondContact N-O 3.39Å; V780-R798 HydrophobicContact CG1-CB 4.34Å; V780-R798 HydrophobicContact CG1-CG 4.22Å; V780-R798 HydrophobicContact CG2-CG 4.2Å |
| 781 | P | 85.1 | Confident | 83.1 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | trans | -54.6 | 138.2 | 174.5 | -25.7 | 34.1 | 0 | 0 | 0 | 111.6 | S783 Q784 | P781-S783 PolarHBondContact O-N 2.99Å; P781-Q784 WeakPolarHBondContact O-CB 3.23Å; P781-Q784 PolarHBondContact O-N 2.85Å | ||
| 782 | I | 83.1 | Confident | 82.6 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.6 | -23.5 | -178.3 | -162.1 | 63 | 0 | 0 | 0 | 113.2 | V780 Q784 C785 D791 I794 C796 | V780-I782 PolarHBondContact O-N 3.44Å; I782-Q784 PolarHBondContact O-N 2.77Å; I782-C785 HydrophobicContact CD1-CB 4.4Å; I782-C785 WeakPolarHBondContact O-CB 3Å; I782-C785 PolarHBondContact O-N 3.32Å; I782-D791 HydrophobicContact CB-CB 4.45Å; I782-D791 HydrophobicContact CG1-CB 4.46Å; I782-D791 HydrophobicContact CG2-CB 3.87Å; I782-D791 WeakPolarHBondContact CG2-OD1 3.46Å; I782-I794 HydrophobicContact CD1-CD1 3.72Å; I782-I794 HydrophobicContact CD1-CG1 3.9Å; I782-C796 HydrophobicContact CD1-CB 4.02Å |
| 783 | S | 78 | Confident | 82.2 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -60.7 | -25.1 | 176.5 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | P781 C785 K788 | P781-S783 PolarHBondContact O-N 2.99Å; S783-C785 PolarHBondContact O-N 2.82Å; S783-K788 WeakPolarHBondContact O-CE 3.16Å |
| 784 | Q | 82.5 | Confident | 82.1 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -84.6 | 5.2 | 176.2 | -57.3 | -174.2 | 19.6 | 0 | 0 | 113.1 | P781 I782 R798 | P781-Q784 WeakPolarHBondContact O-CB 3.23Å; P781-Q784 PolarHBondContact O-N 2.85Å; I782-Q784 PolarHBondContact O-N 2.77Å; Q784-R798 PolarHBondContact O-NH2 2.73Å |
| 785 | C | 82.3 | Confident | 82 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -130 | 164.6 | -172.7 | -48.7 | 0 | 0 | 0 | 0 | 111 | I782 S783 C796 F845 | I782-C785 HydrophobicContact CD1-CB 4.4Å; I782-C785 WeakPolarHBondContact O-CB 3Å; I782-C785 PolarHBondContact O-N 3.32Å; S783-C785 PolarHBondContact O-N 2.82Å; C785-C796 HydrophobicContact CB-CB 3.85Å; C785-C796 WeakPolarHBondContact CB-SG 3.47Å; C785-C796 WeakPolarHBondContact SG-CB 3.46Å; C785-C796 CovalentContact SG-SG 2Å; C785-C796 PolarHBondContact SG-SG 2.82Å; C785-F845 HydrophobicContact CB-CE1 4.01Å; C785-F845 HydrophobicContact CB-CZ 4.35Å |
| 786 | F | 74.9 | Confident | 82 | Confident | 178 Ų | 178 | 61.2 Ų | 61.2 | 78% | 0.781 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77.6 | -28.5 | -169.8 | -54 | -75.3 | 0 | 0 | 0 | 113.7 | K788 | F786-K788 PolarHBondContact O-N 2.73Š|
| 787 | F | 69.3 | Low | 82 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | trans | -94.4 | 59 | -176 | -62.5 | -59.1 | 0 | 0 | 0 | 114 | E789 R790 I794 L831 F845 | F787-E789 VanDerWaalsContact C-N 3.29Å; F787-E789 PolarHBondContact O-N 2.98Å; F787-R790 PolarHBondContact O-N 3.29Å; F787-I794 HydrophobicContact CB-CD1 3.69Å; F787-L831 HydrophobicContact CE2-CD2 4.37Å; F787-F845 HydrophobicContact CD2-CD1 4.2Å; F787-F845 HydrophobicContact CD2-CD2 4.37Å; F787-F845 AromaticContact CD2-CE1 3.72Å; F787-F845 HydrophobicContact CD2-CE1 3.72Å; F787-F845 AromaticContact CD2-CE2 3.92Å; F787-F845 HydrophobicContact CD2-CE2 3.92Å; F787-F845 HydrophobicContact CD2-CG 4.48Å; F787-F845 AromaticContact CD2-CZ 3.57Å; F787-F845 HydrophobicContact CD2-CZ 3.57Å; F787-F845 HydrophobicContact CE2-CD2 4.36Å; F787-F845 AromaticContact CE2-CE2 3.92Å; F787-F845 HydrophobicContact CE2-CE2 3.92Å; F787-F845 HydrophobicContact CE2-CZ 4Å | ||
| 788 | K | 65.2 | Low | 82 | Confident | 136 Ų | 136 | 61.6 Ų | 61.6 | 59% | 0.591 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -59.7 | -32.6 | -175.3 | -62.6 | -177 | -177.6 | -179.1 | 0 | 114.6 | S783 F786 R790 | S783-K788 WeakPolarHBondContact O-CE 3.16Å; F786-K788 PolarHBondContact O-N 2.73Å; K788-R790 PolarHBondContact O-N 3.26Å |
| 789 | E | 65.6 | Low | 81.8 | Confident | 169 Ų | 169 | 57 Ų | 57 | 79% | 0.79 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -70.2 | -9.1 | -177.3 | -62.9 | 179.5 | -175.1 | 0 | 0 | 114.2 | F787 | F787-E789 VanDerWaalsContact C-N 3.29Å; F787-E789 PolarHBondContact O-N 2.98Å |
| 790 | R | 73.7 | Confident | 81.6 | Confident | 33 Ų | 33 | 59 Ų | 59 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -109.9 | 18 | -173.3 | -54.5 | -169.5 | -168.7 | 169 | 5.5 | 113.5 | K717 D719 F787 K788 A792 R793 I794 | K717-R790 PolarHBondContact O-NH1 2.82Å; K717-R790 PolarHBondContact O-NH2 3.02Å; D719-R790 IonicContact OD2-NE 3.8Å; F787-R790 PolarHBondContact O-N 3.29Å; K788-R790 PolarHBondContact O-N 3.26Å; R790-A792 PolarHBondContact O-N 3.27Å; R790-R793 PolarHBondContact O-N 3.16Å; R790-I794 HydrophobicContact CB-CD1 3.86Å; R790-I794 HydrophobicContact CB-CG1 3.8Å; R790-I794 WeakPolarHBondContact O-CG1 3.13Å; R790-I794 PolarHBondContact O-N 2.69Å; R790-I794 VanDerWaalsContact O-N 3.1Å |
| 791 | D | 73.5 | Confident | 81.3 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -40.2 | -176.7 | -170.5 | 31.4 | 0 | 0 | 0 | 112.9 | I782 R793 R848 | I782-D791 HydrophobicContact CB-CB 4.45Å; I782-D791 HydrophobicContact CG1-CB 4.46Å; I782-D791 HydrophobicContact CG2-CB 3.87Å; I782-D791 WeakPolarHBondContact CG2-OD1 3.46Å; D791-R793 PolarHBondContact O-N 2.84Å; D791-R848 PolarHBondContact O-NE 2.8Å; D791-R848 PolarHBondContact O-NH1 3.03Å; D791-R848 PolarHBondContact O-NH2 3.23Å; D791-R848 IonicContact OD1-CZ 3.41Å; D791-R848 IonicContact OD1-NH1 3.35Å; D791-R848 IonicContact OD1-NH2 3.81Å; D791-R848 PolarHBondContact OD1-NH2 3.48Å |
| 792 | A | 78.7 | Confident | 81 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R790 N851 | R790-A792 PolarHBondContact O-N 3.27Å; A792-N851 WeakPolarHBondContact O-CB 3.39Å; A792-N851 PolarHBondContact O-ND2 2.85Å |
| 793 | R | 84.9 | Confident | 80.7 | Confident | 38 Ų | 38 | 71 Ų | 71 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -18.4 | -174.7 | -66.5 | -170.7 | -57.5 | -76.2 | 5.5 | 114.5 | D719 N720 R790 D791 R848 Y852 | D719-R793 IonicContact OD1-CZ 2.79Å; D719-R793 IonicContact OD1-NE 3.91Å; D719-R793 PolarHBondContact OD1-NE 3.41Å; D719-R793 IonicContact OD1-NH2 3.91Å; D719-R793 IonicContact OD2-CZ 2.67Å; D719-R793 IonicContact OD2-NE 3.5Å; D719-R793 PolarHBondContact OD2-NE 2.74Å; D719-R793 IonicContact OD2-NH2 3.57Å; D719-R793 PolarHBondContact OD2-NH2 2.82Å; N720-R793 WeakPolarHBondContact OD1-CD 3.47Å; R790-R793 PolarHBondContact O-N 3.16Å; D791-R793 PolarHBondContact O-N 2.84Å; R793-R848 WeakPolarHBondContact O-CB 3.11Å; R793-R848 PolarHBondContact O-N 3.37Å; R793-Y852 HydrophobicContact CB-CE2 4.35Å; R793-Y852 WeakPolarHBondContact CD-OH 3.42Å; R793-Y852 HydrophobicContact CG-CE2 4.45Å |
| 794 | I | 88.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.9 | -178.2 | 60 | 169.5 | 0 | 0 | 0 | 112.6 | I782 F787 R790 F845 Y846 R848 | I782-I794 HydrophobicContact CD1-CD1 3.72Å; I782-I794 HydrophobicContact CD1-CG1 3.9Å; F787-I794 HydrophobicContact CB-CD1 3.69Å; R790-I794 HydrophobicContact CB-CD1 3.86Å; R790-I794 HydrophobicContact CB-CG1 3.8Å; R790-I794 WeakPolarHBondContact O-CG1 3.13Å; R790-I794 PolarHBondContact O-N 2.69Å; R790-I794 VanDerWaalsContact O-N 3.1Å; I794-F845 HydrophobicContact CD1-CD1 3.79Å; I794-F845 HydrophobicContact CD1-CE1 4.21Å; I794-Y846 CarbonylContact C-O 3.58Å; I794-Y846 WeakPolarHBondContact CA-O 3.22Å; I794-R848 PolarHBondContact O-NE 3.35Å; I794-R848 PolarHBondContact O-NH2 2.98Å |
| 795 | L | 90.4 | Very high | 81.1 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.6 | 164.4 | -66.6 | 170.1 | 0 | 0 | 0 | 108 | I779 L815 V826 F845 Y846 R848 | I779-L795 HydrophobicContact CG2-CD2 4.34Å; L795-L815 HydrophobicContact CD1-CD2 4.21Å; L795-V826 HydrophobicContact CD1-CB 4.38Å; L795-V826 HydrophobicContact CD1-CG2 4.12Å; L795-V826 VanDerWaalsContact CD1-O 3.3Å; L795-V826 WeakPolarHBondContact CD1-O 3.06Å; L795-F845 WeakPolarHBondContact O-CA 3.44Å; L795-Y846 PolarHBondContact N-O 3.39Å; L795-Y846 PolarHBondContact O-N 3.46Å; L795-R848 HydrophobicContact CD2-CG 4.15Å; L795-R848 HydrophobicContact CG-CB 4.03Å; L795-R848 HydrophobicContact CG-CG 4.09Å |
| 796 | C | 90.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.1 | 171.6 | -169.2 | 0 | 0 | 0 | 0 | 110 | V780 I782 C785 F845 | V780-C796 HydrophobicContact CG2-CB 3.97Å; V780-C796 PolarHBondContact N-O 3.39Å; I782-C796 HydrophobicContact CD1-CB 4.02Å; C785-C796 HydrophobicContact CB-CB 3.85Å; C785-C796 WeakPolarHBondContact CB-SG 3.47Å; C785-C796 WeakPolarHBondContact SG-CB 3.46Å; C785-C796 CovalentContact SG-SG 2Å; C785-C796 PolarHBondContact SG-SG 2.82Å; C796-F845 HydrophobicContact CB-CE1 4.47Å |
| 797 | V | 92.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.1 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | I777 R778 I779 F805 L815 V843 G844 Y846 | I777-V797 HydrophobicContact CG2-CB 3.41Å; I777-V797 VanDerWaalsContact CG2-CB 3.41Å; I777-V797 HydrophobicContact CG2-CG1 3.72Å; I777-V797 HydrophobicContact CG2-CG2 3.82Å; R778-V797 CarbonylContact O-C 3.58Å; R778-V797 WeakPolarHBondContact O-CA 3.32Å; R778-V797 WeakPolarHBondContact O-CB 3.34Å; I779-V797 HydrophobicContact CG1-CG1 4.25Å; V797-F805 HydrophobicContact CG2-CE2 4.06Å; V797-F805 HydrophobicContact CG2-CZ 3.8Å; V797-L815 HydrophobicContact CG1-CD2 3.89Å; V797-V843 WeakPolarHBondContact O-CA 3.43Å; V797-G844 WeakPolarHBondContact CG2-O 3.32Å; V797-G844 PolarHBondContact N-O 3.35Å; V797-G844 PolarHBondContact O-N 2.9Å; V797-Y846 HydrophobicContact CG1-CD2 4.03Å; V797-Y846 HydrophobicContact CG1-CE2 4.4Å; V797-Y846 HydrophobicContact CG2-CD2 3.78Å; V797-Y846 HydrophobicContact CG2-CE2 3.69Å |
| 798 | R | 91 | Very high | 82.5 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 165 | 172.5 | -69.7 | -178.4 | 179.8 | -93.3 | 0 | 110.8 | R778 V780 Q784 D841 V843 | R778-R798 PolarHBondContact N-O 3.3Å; R778-R798 PolarHBondContact O-N 3.46Å; V780-R798 HydrophobicContact CG1-CB 4.34Å; V780-R798 HydrophobicContact CG1-CG 4.22Å; V780-R798 HydrophobicContact CG2-CG 4.2Å; Q784-R798 PolarHBondContact O-NH2 2.73Å; R798-D841 WeakPolarHBondContact CD-OD1 3.45Å; R798-D841 IonicContact CZ-OD1 3.81Å; R798-D841 IonicContact CZ-OD2 2.94Å; R798-D841 PolarHBondContact NH1-O 2.78Å; R798-D841 IonicContact NH1-OD1 3.43Å; R798-D841 PolarHBondContact NH1-OD1 3.25Å; R798-D841 IonicContact NH1-OD2 3.46Å; R798-D841 PolarHBondContact NH1-OD2 2.97Å; R798-V843 HydrophobicContact CG-CG2 4.32Å; R798-V843 VanDerWaalsContact CZ-CG2 3.5Å |
| 799 | D | 86.9 | Confident | 83.5 | Confident | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135 | 176.5 | 64.4 | -21.7 | 0 | 0 | 0 | 111.8 | Y801 R802 R803 S804 F805 P842 | D799-Y801 WeakPolarHBondContact CB-O 3.28Å; D799-R802 VanDerWaalsContact OD2-C 3.29Å; D799-R802 WeakPolarHBondContact OD2-CA 3.41Å; D799-R803 PolarHBondContact OD2-N 3.18Å; D799-S804 WeakPolarHBondContact CB-O 3.48Å; D799-F805 HydrophobicContact CB-CD2 4.16Å; D799-P842 HydrophobicContact CB-CG 4.09Å |
| 800 | Y | 87 | Confident | 84.7 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -82.7 | -45.6 | 171.1 | -177.4 | -83.5 | 0 | 0 | 0 | 110.8 | T754 R776 R778 | T754-Y800 HydrophobicContact CG2-CD2 3.65Å; T754-Y800 HydrophobicContact CG2-CE2 3.94Å; T754-Y800 HydrophobicContact CG2-CG 4.41Å; R776-Y800 HydrophobicContact CB-CD1 3.95Å; R776-Y800 HydrophobicContact CB-CD2 4.42Å; R776-Y800 HydrophobicContact CB-CG 3.76Å; R776-Y800 WeakPolarHBondContact O-CB 3.42Å; R776-Y800 PolarHBondContact O-N 3.34Å; R778-Y800 HydrophobicContact CG-CD2 3.66Å; R778-Y800 HydrophobicContact CG-CG 4.3Å; R778-Y800 PolarHBondContact NH2-O 3.3Å |
| 801 | Y | 83.1 | Confident | 85.7 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -99.8 | 128.5 | 171 | -63.4 | -69.6 | 0 | 0 | 0 | 107.8 | W625 R776 D799 R803 S804 | W625-Y801 HydrophobicContact CH2-CE2 4.18Å; W625-Y801 HydrophobicContact CZ3-CD2 4.11Å; W625-Y801 AromaticContact CZ3-CE2 3.72Å; W625-Y801 HydrophobicContact CZ3-CE2 3.72Å; R776-Y801 HydrophobicContact CB-CD2 4.3Å; R776-Y801 HydrophobicContact CB-CE2 3.99Å; R776-Y801 HydrophobicContact CG-CE2 4.35Å; R776-Y801 PolarHBondContact NH1-OH 3.47Å; D799-Y801 WeakPolarHBondContact CB-O 3.28Å; Y801-R803 PolarHBondContact O-N 2.98Å; Y801-S804 WeakPolarHBondContact O-CB 3.22Å; Y801-S804 PolarHBondContact O-N 3.35Å |
| 802 | R | 79.6 | Confident | 86.8 | Confident | 193 Ų | 193 | 44.9 Ų | 44.9 | 73% | 0.728 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42.8 | 129.6 | -177.8 | -174.2 | 177 | -176 | 169.5 | 3.3 | 111 | F623 D799 S804 | F623-R802 WeakPolarHBondContact CD1-O 3.13Å; F623-R802 WeakPolarHBondContact CE1-O 3.46Å; D799-R802 VanDerWaalsContact OD2-C 3.29Å; D799-R802 WeakPolarHBondContact OD2-CA 3.41Å; R802-S804 PolarHBondContact O-N 2.75Å; R802-S804 VanDerWaalsContact O-N 3.11Å |
| 803 | R | 76.4 | Confident | 87.6 | Confident | 102 Ų | 102 | 42 Ų | 42 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 7.3 | -179.4 | -61.8 | 167.2 | 171.8 | -174.8 | -2.3 | 115.9 | F623 D799 Y801 F805 | F623-R803 VanDerWaalsContact CB-O 3.28Å; F623-R803 WeakPolarHBondContact CB-O 3.26Å; F623-R803 VanDerWaalsContact CD1-C 3.5Å; F623-R803 HydrophobicContact CD1-CB 3.47Å; F623-R803 VanDerWaalsContact CD1-CB 3.47Å; F623-R803 HydrophobicContact CD2-CB 3.61Å; F623-R803 HydrophobicContact CE1-CB 3.49Å; F623-R803 VanDerWaalsContact CE1-CB 3.49Å; F623-R803 HydrophobicContact CE1-CG 4.29Å; F623-R803 HydrophobicContact CE2-CB 3.6Å; F623-R803 HydrophobicContact CE2-CG 4.16Å; F623-R803 HydrophobicContact CG-CB 3.6Å; F623-R803 VanDerWaalsContact CG-O 3.26Å; F623-R803 WeakPolarHBondContact CG-O 3.48Å; F623-R803 HydrophobicContact CZ-CB 3.56Å; F623-R803 HydrophobicContact CZ-CG 4.03Å; D799-R803 PolarHBondContact OD2-N 3.18Å; Y801-R803 PolarHBondContact O-N 2.98Å; R803-F805 PolarHBondContact O-N 3.02Å |
| 804 | S | 83.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | trans | -90.5 | 102.6 | 174.9 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | F623 G624 T775 D799 Y801 R802 | F623-S804 VanDerWaalsContact O-CA 3.27Å; F623-S804 WeakPolarHBondContact O-CA 3.33Å; F623-S804 VanDerWaalsContact O-CB 3.28Å; F623-S804 WeakPolarHBondContact O-CB 3.36Å; F623-S804 PolarHBondContact O-OG 3.13Å; G624-S804 PolarHBondContact N-OG 2.97Å; T775-S804 WeakPolarHBondContact CB-OG 3.35Å; T775-S804 PolarHBondContact OG1-OG 2.95Å; D799-S804 WeakPolarHBondContact CB-O 3.48Å; Y801-S804 WeakPolarHBondContact O-CB 3.22Å; Y801-S804 PolarHBondContact O-N 3.35Å; R802-S804 PolarHBondContact O-N 2.75Å; R802-S804 VanDerWaalsContact O-N 3.11Å | ||
| 805 | F | 85.7 | Confident | 88.5 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | trans | -150.4 | 145.6 | -172.3 | -151.7 | -97.4 | 0 | 0 | 0 | 111.3 | I777 V797 D799 R803 P833 P842 | I777-F805 HydrophobicContact CD1-CD2 3.93Å; I777-F805 HydrophobicContact CD1-CE2 4.1Å; V797-F805 HydrophobicContact CG2-CE2 4.06Å; V797-F805 HydrophobicContact CG2-CZ 3.8Å; D799-F805 HydrophobicContact CB-CD2 4.16Å; R803-F805 PolarHBondContact O-N 3.02Å; F805-P833 HydrophobicContact CD1-CG 3.93Å; F805-P833 VanDerWaalsContact CE1-CD 3.45Å; F805-P833 HydrophobicContact CE1-CG 4.28Å; F805-P842 HydrophobicContact CB-CG 3.95Å; F805-P842 HydrophobicContact CD1-CB 4.42Å; F805-P842 HydrophobicContact CD2-CB 4.31Å; F805-P842 HydrophobicContact CD2-CG 3.86Å; F805-P842 HydrophobicContact CG-CB 4.16Å; F805-P842 HydrophobicContact CG-CG 3.89Å | ||
| 806 | P | 86.4 | Confident | 88.7 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | trans | -56.4 | 151.8 | 172.2 | -26.1 | 35.4 | 0 | 0 | 0 | 112.8 | A757 D810 L829 | A757-P806 HydrophobicContact CB-CG 3.61Å; P806-D810 HydrophobicContact CB-CB 4.03Å; P806-L829 HydrophobicContact CB-CD2 3.62Å; P806-L829 HydrophobicContact CG-CD2 4.46Å | ||
| 807 | C | 86 | Confident | 88.8 | Confident | 24 Ų | 24 | 39.1 Ų | 39.1 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | trans | -139 | -169.3 | -175.5 | -152.3 | 0 | 0 | 0 | 0 | 114.4 | A762 G809 D810 C836 | A762-C807 HydrophobicContact CB-CB 4.43Å; A762-C807 VanDerWaalsContact O-CB 3.28Å; A762-C807 WeakPolarHBondContact O-CB 3.43Å; C807-G809 PolarHBondContact O-N 2.93Å; C807-D810 PolarHBondContact N-OD2 2.88Å; C807-D810 VanDerWaalsContact O-CB 3.29Å; C807-D810 WeakPolarHBondContact O-CB 3.13Å; C807-D810 PolarHBondContact O-N 2.73Å; C807-C836 WeakPolarHBondContact CA-SG 3.32Å; C807-C836 HydrophobicContact CB-CB 3.58Å; C807-C836 WeakPolarHBondContact CB-SG 3.34Å; C807-C836 WeakPolarHBondContact SG-CB 3.2Å; C807-C836 CovalentContact SG-SG 2.04Å; C807-C836 PolarHBondContact SG-SG 3.01Å | ||
| 808 | R | 83.7 | Confident | 88.5 | Confident | 197 Ų | 197 | 42.6 Ų | 42.6 | 74% | 0.743 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 124.3 | -179 | -68.4 | -172.2 | -179.8 | -163.9 | 0.1 | 110.5 | G761 A762 | G761-R808 CarbonylContact C-O 3.59Å; G761-R808 WeakPolarHBondContact CA-O 3.26Å; A762-R808 HydrophobicContact CB-CB 4.32Å; A762-R808 PolarHBondContact N-O 2.76Å |
| 809 | G | 85.7 | Confident | 87.7 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -17.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C649 S650 C807 S811 | C649-G809 CarbonylContact C-O 3.53Å; S650-G809 PolarHBondContact N-O 3.07Å; S650-G809 PolarHBondContact OG-O 2.95Å; C807-G809 PolarHBondContact O-N 2.93Å; G809-S811 VanDerWaalsContact C-N 3.34Å |
| 810 | D | 91.9 | Very high | 86.7 | Confident | 14 Ų | 14 | 46 Ų | 46 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | trans | -85.3 | -7.8 | 173.9 | -61.3 | -39.8 | 0 | 0 | 0 | 112.9 | G759 W760 G761 P806 C807 G812 S813 L829 | G759-D810 VanDerWaalsContact C-OD1 3.24Å; G759-D810 WeakPolarHBondContact CA-OD1 3.47Å; W760-D810 PolarHBondContact N-OD1 3.21Å; W760-D810 VanDerWaalsContact N-OD1 3.14Å; G761-D810 VanDerWaalsContact CA-OD1 3.29Å; G761-D810 WeakPolarHBondContact CA-OD1 3.22Å; G761-D810 PolarHBondContact N-OD1 3.5Å; P806-D810 HydrophobicContact CB-CB 4.03Å; C807-D810 PolarHBondContact N-OD2 2.88Å; C807-D810 VanDerWaalsContact O-CB 3.29Å; C807-D810 WeakPolarHBondContact O-CB 3.13Å; C807-D810 PolarHBondContact O-N 2.73Å; D810-G812 PolarHBondContact O-N 3.47Å; D810-S813 WeakPolarHBondContact O-CB 3.3Å; D810-S813 PolarHBondContact O-N 2.91Å; D810-S813 PolarHBondContact O-OG 3.25Å; D810-L829 HydrophobicContact CB-CD2 3.83Å; D810-L829 WeakPolarHBondContact O-CD2 3.27Å | ||
| 811 | S | 93.6 | Very high | 85.7 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 134.1 | 178.3 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | S650 H670 G809 S813 | S650-S811 CarbonylContact C-O 3.53Å; S650-S811 PolarHBondContact N-O 3.12Å; H670-S811 PolarHBondContact CE1-OG 2.93Å; H670-S811 WeakPolarHBondContact NE2-CB 2.9Å; H670-S811 PolarHBondContact NE2-OG 3.12Å; G809-S811 VanDerWaalsContact C-N 3.34Å; S811-S813 VanDerWaalsContact C-N 3.28Å; S811-S813 PolarHBondContact O-N 3.24Å |
| 812 | G | 96 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -6.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S650 T667 D810 L829 | S650-G812 CarbonylContact O-C 3.59Å; S650-G812 VanDerWaalsContact O-C 3.29Å; S650-G812 WeakPolarHBondContact O-CA 3.36Å; T667-G812 WeakPolarHBondContact OG1-CA 3.34Å; D810-G812 PolarHBondContact O-N 3.47Å; G812-L829 PolarHBondContact N-O 2.79Å |
| 813 | S | 95.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -62.2 | 151.4 | 172.6 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | A758 D810 S811 L829 | A758-S813 VanDerWaalsContact O-CB 3.29Å; A758-S813 WeakPolarHBondContact O-CB 3.49Å; D810-S813 WeakPolarHBondContact O-CB 3.3Å; D810-S813 PolarHBondContact O-N 2.91Å; D810-S813 PolarHBondContact O-OG 3.25Å; S811-S813 VanDerWaalsContact C-N 3.28Å; S811-S813 PolarHBondContact O-N 3.24Å; S813-L829 PolarHBondContact O-N 3.28Å | ||
| 814 | P | 97.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.7 | 178.3 | 28.9 | -30.9 | 0 | 0 | 0 | 111.4 | M635 F652 F816 A825 G827 | M635-P814 HydrophobicContact SD-CG 3.92Å; F652-P814 HydrophobicContact CB-CB 4.24Å; F652-P814 HydrophobicContact CB-CG 3.79Å; F652-P814 HydrophobicContact CD1-CB 3.52Å; F652-P814 HydrophobicContact CD1-CG 3.81Å; F652-P814 HydrophobicContact CD2-CB 4.3Å; F652-P814 HydrophobicContact CE1-CB 3.82Å; F652-P814 HydrophobicContact CG-CB 3.76Å; F652-P814 HydrophobicContact CG-CG 3.88Å; F652-P814 HydrophobicContact CZ-CB 4.31Å; P814-F816 HydrophobicContact CB-CB 4.47Å; P814-F816 HydrophobicContact CB-CD1 4.25Å; P814-F816 HydrophobicContact CG-CD1 3.92Å; P814-A825 HydrophobicContact CB-CB 4.21Å; P814-G827 CarbonylContact C-O 3.58Å; P814-G827 WeakPolarHBondContact CA-O 3.25Å |
| 815 | L | 96.4 | Very high | 87 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.4 | 148.8 | -174.8 | 66 | 0 | 0 | 0 | 106.5 | C755 I777 I779 L795 V797 V826 G827 Y846 | C755-L815 HydrophobicContact CB-CD1 3.85Å; C755-L815 HydrophobicContact CB-CG 4.05Å; I777-L815 HydrophobicContact CB-CD1 4.03Å; I777-L815 HydrophobicContact CG2-CD1 4Å; I779-L815 HydrophobicContact CD1-CD2 3.98Å; I779-L815 HydrophobicContact CG1-CD2 4.02Å; L795-L815 HydrophobicContact CD1-CD2 4.21Å; V797-L815 HydrophobicContact CG1-CD2 3.89Å; L815-V826 HydrophobicContact CB-CG2 4.11Å; L815-V826 HydrophobicContact CD2-CG2 3.86Å; L815-V826 HydrophobicContact CG-CG2 3.82Å; L815-V826 WeakPolarHBondContact O-CG2 3.4Å; L815-V826 PolarHBondContact O-N 2.94Å; L815-G827 PolarHBondContact N-O 3.37Å; L815-G827 PolarHBondContact O-N 2.88Å; L815-Y846 HydrophobicContact CB-CD1 3.43Å; L815-Y846 VanDerWaalsContact CB-CD1 3.43Å; L815-Y846 HydrophobicContact CB-CD2 4.48Å; L815-Y846 HydrophobicContact CB-CE1 3.49Å; L815-Y846 VanDerWaalsContact CB-CE1 3.49Å; L815-Y846 HydrophobicContact CB-CG 3.97Å; L815-Y846 HydrophobicContact CD1-CE2 4.5Å; L815-Y846 HydrophobicContact CD2-CD2 4.33Å; L815-Y846 HydrophobicContact CD2-CG 4.24Å |
| 816 | F | 95.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.2 | -175.8 | 60.9 | -82 | 0 | 0 | 0 | 112 | L632 W634 V740 F756 A758 P814 Y823 F824 | L632-F816 HydrophobicContact CD1-CZ 3.97Å; L632-F816 HydrophobicContact CD2-CE2 3.74Å; L632-F816 HydrophobicContact CD2-CZ 3.7Å; L632-F816 HydrophobicContact CG-CZ 4.49Å; W634-F816 AromaticContact CZ2-CD2 3.79Å; W634-F816 HydrophobicContact CZ2-CD2 3.79Å; W634-F816 AromaticContact CZ2-CE2 3.87Å; W634-F816 HydrophobicContact CZ2-CE2 3.87Å; W634-F816 HydrophobicContact CZ2-CG 4.41Å; V740-F816 HydrophobicContact CG2-CB 4.43Å; F756-F816 HydrophobicContact CB-CD1 4.43Å; F756-F816 HydrophobicContact CB-CD2 4Å; F756-F816 HydrophobicContact CB-CE1 4Å; F756-F816 HydrophobicContact CB-CE2 3.52Å; F756-F816 HydrophobicContact CB-CG 4.44Å; F756-F816 HydrophobicContact CB-CZ 3.52Å; F756-F816 HydrophobicContact CD2-CE2 4.41Å; F756-F816 HydrophobicContact CG-CE2 4.21Å; F756-F816 PolarHBondContact N-O 3.29Å; F756-F816 WeakPolarHBondContact O-CD1 3.25Å; F756-F816 PolarHBondContact O-N 3.19Å; A758-F816 HydrophobicContact CB-CE1 4.01Å; A758-F816 HydrophobicContact CB-CZ 4.27Å; P814-F816 HydrophobicContact CB-CB 4.47Å; P814-F816 HydrophobicContact CB-CD1 4.25Å; P814-F816 HydrophobicContact CG-CD1 3.92Å; F816-Y823 AromaticContact CD2-CD1 3.69Å; F816-Y823 HydrophobicContact CD2-CD1 3.69Å; F816-Y823 HydrophobicContact CD2-CE1 4.29Å; F816-Y823 HydrophobicContact CD2-CG 4.36Å; F816-Y823 HydrophobicContact CE2-CD1 4.2Å; F816-Y823 HydrophobicContact CE2-CE1 4.39Å; F816-F824 CarbonylContact C-O 3.6Å; F816-F824 WeakPolarHBondContact CA-O 3.44Å |
| 817 | C | 91.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145 | -176.2 | -45.9 | 0 | 0 | 0 | 0 | 109.8 | L752 C755 I819 Y823 F824 V826 | L752-C817 HydrophobicContact CD2-CB 3.87Å; C755-C817 HydrophobicContact CB-CB 3.98Å; C755-C817 WeakPolarHBondContact CB-SG 3.48Å; C755-C817 WeakPolarHBondContact SG-CB 3.09Å; C755-C817 CovalentContact SG-SG 2.02Å; C755-C817 PolarHBondContact SG-SG 3.28Å; C817-I819 HydrophobicContact CB-CG1 4.39Å; C817-Y823 CarbonylContact O-C 3.59Å; C817-Y823 VanDerWaalsContact O-CA 3.29Å; C817-Y823 WeakPolarHBondContact O-CA 3.38Å; C817-F824 PolarHBondContact N-O 3.09Å; C817-F824 PolarHBondContact O-N 2.86Å; C817-V826 HydrophobicContact CB-CG1 4.29Å; C817-V826 WeakPolarHBondContact SG-CG2 3.49Å |
| 818 | E | 85.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 27 Ų | 27 | 34% | 0.341 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117 | 171.2 | -171.3 | -178.1 | -165.1 | 0 | 0 | 109.3 | K611 R822 Y823 | K611-E818 WeakPolarHBondContact CE-OE1 3.37Å; K611-E818 WeakPolarHBondContact CE-OE2 3.5Å; K611-E818 IonicContact NZ-OE1 3.4Å; K611-E818 PolarHBondContact NZ-OE1 3.07Å; K611-E818 IonicContact NZ-OE2 3.45Å; K611-E818 PolarHBondContact NZ-OE2 2.83Å; E818-R822 CarbonylContact C-O 3.44Å; E818-R822 VanDerWaalsContact CA-O 3.3Å; E818-R822 WeakPolarHBondContact CA-O 3.42Å; E818-Y823 HydrophobicContact CB-CD1 4.01Å; E818-Y823 HydrophobicContact CB-CE1 3.73Å; E818-Y823 HydrophobicContact CG-CE1 4.26Å |
| 819 | I | 74.7 | Confident | 88.9 | Confident | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.062 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120 | 178.8 | -53.1 | 172.3 | 0 | 0 | 0 | 106.5 | T750 L752 C817 G821 R822 F824 | T750-I819 HydrophobicContact CG2-CG2 4.23Å; L752-I819 HydrophobicContact CD1-CD1 4.37Å; L752-I819 HydrophobicContact CD2-CD1 3.96Å; L752-I819 HydrophobicContact CD2-CG1 3.9Å; C817-I819 HydrophobicContact CB-CG1 4.39Å; I819-G821 PolarHBondContact O-N 2.83Å; I819-R822 PolarHBondContact N-O 2.65Å; I819-R822 PolarHBondContact O-N 3Å; I819-R822 VanDerWaalsContact O-O 3.13Å; I819-F824 HydrophobicContact CB-CD2 3.8Å; I819-F824 HydrophobicContact CB-CE2 3.94Å; I819-F824 HydrophobicContact CD1-CB 4.15Å; I819-F824 HydrophobicContact CD1-CD2 3.88Å; I819-F824 HydrophobicContact CD1-CG 4.14Å; I819-F824 HydrophobicContact CG1-CD2 4.08Å |
| 820 | D | 65.9 | Low | 89.1 | Confident | 125 Ų | 125 | 17.9 Ų | 17.9 | 67% | 0.668 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.5 | 178.1 | -57.7 | -33.6 | 0 | 0 | 0 | 115.1 | ||
| 821 | G | 65.9 | Low | 89 | Confident | 24 Ų | 24 | 20 Ų | 20 | 25% | 0.247 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 3.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I819 | I819-G821 PolarHBondContact O-N 2.83Š|
| 822 | R | 75.7 | Confident | 88.5 | Confident | 43 Ų | 43 | 20.3 Ų | 20.3 | 16% | 0.162 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.1 | 176.4 | -60.7 | 176.3 | 68.1 | -178 | 4.8 | 111.2 | T576 C602 V604 C741 E818 I819 F824 | T576-R822 VanDerWaalsContact CG2-NH1 3.33Å; C602-R822 PolarHBondContact O-NE 3.05Å; C602-R822 PolarHBondContact O-NH2 3.27Å; C602-R822 PolarHBondContact SG-NH2 2.76Å; V604-R822 HydrophobicContact CG2-CG 3.78Å; C741-R822 PolarHBondContact SG-NH2 3.4Å; E818-R822 CarbonylContact C-O 3.44Å; E818-R822 VanDerWaalsContact CA-O 3.3Å; E818-R822 WeakPolarHBondContact CA-O 3.42Å; I819-R822 PolarHBondContact N-O 2.65Å; I819-R822 PolarHBondContact O-N 3Å; I819-R822 VanDerWaalsContact O-O 3.13Å; R822-F824 HydrophobicContact CB-CD2 4.44Å; R822-F824 HydrophobicContact CB-CE2 3.82Å |
| 823 | Y | 88.2 | Confident | 87.6 | Confident | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.8 | 175.9 | -66.7 | -86 | 0 | 0 | 0 | 111.9 | G603 P605 P609 W634 V740 C741 F756 F816 C817 E818 | G603-Y823 WeakPolarHBondContact CA-O 3.49Å; G603-Y823 WeakPolarHBondContact O-CD2 3.25Å; G603-Y823 PolarHBondContact O-N 2.97Å; P605-Y823 HydrophobicContact CG-CD2 4.33Å; P605-Y823 HydrophobicContact CG-CE2 4.2Å; P609-Y823 HydrophobicContact CG-CE2 3.97Å; W634-Y823 HydrophobicContact CH2-CD1 4.49Å; W634-Y823 AromaticContact CH2-CD2 3.63Å; W634-Y823 HydrophobicContact CH2-CD2 3.63Å; W634-Y823 HydrophobicContact CH2-CE2 4.42Å; W634-Y823 AromaticContact CH2-CG 3.66Å; W634-Y823 HydrophobicContact CH2-CG 3.66Å; W634-Y823 HydrophobicContact CZ2-CD2 4.45Å; W634-Y823 HydrophobicContact CZ2-CG 4.1Å; W634-Y823 HydrophobicContact CZ3-CD2 4.41Å; V740-Y823 VanDerWaalsContact CG2-O 3.24Å; V740-Y823 WeakPolarHBondContact CG2-O 3.23Å; C741-Y823 PolarHBondContact N-O 2.71Å; C741-Y823 VanDerWaalsContact N-O 3.14Å; F756-Y823 HydrophobicContact CD2-CE1 4.3Å; F756-Y823 HydrophobicContact CE2-CE1 4.34Å; F816-Y823 AromaticContact CD2-CD1 3.69Å; F816-Y823 HydrophobicContact CD2-CD1 3.69Å; F816-Y823 HydrophobicContact CD2-CE1 4.29Å; F816-Y823 HydrophobicContact CD2-CG 4.36Å; F816-Y823 HydrophobicContact CE2-CD1 4.2Å; F816-Y823 HydrophobicContact CE2-CE1 4.39Å; C817-Y823 CarbonylContact O-C 3.59Å; C817-Y823 VanDerWaalsContact O-CA 3.29Å; C817-Y823 WeakPolarHBondContact O-CA 3.38Å; E818-Y823 HydrophobicContact CB-CD1 4.01Å; E818-Y823 HydrophobicContact CB-CE1 3.73Å; E818-Y823 HydrophobicContact CG-CE1 4.26Å |
| 824 | F | 90.6 | Very high | 86.6 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.1 | 176.9 | -68.8 | -99.1 | 0 | 0 | 0 | 110.1 | C741 T747 F816 C817 I819 R822 V826 | C741-F824 HydrophobicContact CB-CB 4.46Å; C741-F824 HydrophobicContact CB-CD1 3.27Å; C741-F824 HydrophobicContact CB-CD2 4.49Å; C741-F824 HydrophobicContact CB-CE1 3.45Å; C741-F824 VanDerWaalsContact CB-CE1 3.45Å; C741-F824 HydrophobicContact CB-CG 3.84Å; C741-F824 HydrophobicContact CB-CZ 4.17Å; C741-F824 CarbonylContact O-C 3.54Å; C741-F824 WeakPolarHBondContact O-CA 3.36Å; T747-F824 HydrophobicContact CG2-CD1 4.1Å; T747-F824 HydrophobicContact CG2-CE1 3.73Å; T747-F824 HydrophobicContact CG2-CZ 4.12Å; F816-F824 CarbonylContact C-O 3.6Å; F816-F824 WeakPolarHBondContact CA-O 3.44Å; C817-F824 PolarHBondContact N-O 3.09Å; C817-F824 PolarHBondContact O-N 2.86Å; I819-F824 HydrophobicContact CB-CD2 3.8Å; I819-F824 HydrophobicContact CB-CE2 3.94Å; I819-F824 HydrophobicContact CD1-CB 4.15Å; I819-F824 HydrophobicContact CD1-CD2 3.88Å; I819-F824 HydrophobicContact CD1-CG 4.14Å; I819-F824 HydrophobicContact CG1-CD2 4.08Å; R822-F824 HydrophobicContact CB-CD2 4.44Å; R822-F824 HydrophobicContact CB-CE2 3.82Å; F824-V826 HydrophobicContact CB-CG1 4.49Å; F824-V826 PolarHBondContact O-N 3.19Å |
| 825 | A | 95.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 105.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | F652 V740 C741 A743 P814 M849 | F652-A825 HydrophobicContact CD2-CB 4.08Å; F652-A825 HydrophobicContact CE2-CB 3.53Å; F652-A825 HydrophobicContact CZ-CB 3.97Å; V740-A825 HydrophobicContact CG1-CB 3.74Å; V740-A825 HydrophobicContact CG2-CB 4.23Å; C741-A825 PolarHBondContact O-N 3.03Å; A743-A825 VanDerWaalsContact CB-O 3.24Å; A743-A825 WeakPolarHBondContact CB-O 3.43Å; A743-A825 PolarHBondContact N-O 3.42Å; P814-A825 HydrophobicContact CB-CB 4.21Å; A825-M849 WeakPolarHBondContact O-CG 3.48Å |
| 826 | V | 94.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -15.4 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 112 | A743 V748 L752 I779 L795 L815 C817 F824 M849 | A743-V826 HydrophobicContact CB-CB 4.36Å; A743-V826 HydrophobicContact CB-CG1 3.97Å; V748-V826 HydrophobicContact CG2-CG1 4.36Å; L752-V826 HydrophobicContact CD1-CG1 3.9Å; I779-V826 HydrophobicContact CD1-CG2 4.43Å; L795-V826 HydrophobicContact CD1-CB 4.38Å; L795-V826 HydrophobicContact CD1-CG2 4.12Å; L795-V826 VanDerWaalsContact CD1-O 3.3Å; L795-V826 WeakPolarHBondContact CD1-O 3.06Å; L815-V826 HydrophobicContact CB-CG2 4.11Å; L815-V826 HydrophobicContact CD2-CG2 3.86Å; L815-V826 HydrophobicContact CG-CG2 3.82Å; L815-V826 WeakPolarHBondContact O-CG2 3.4Å; L815-V826 PolarHBondContact O-N 2.94Å; C817-V826 HydrophobicContact CB-CG1 4.29Å; C817-V826 WeakPolarHBondContact SG-CG2 3.49Å; F824-V826 HydrophobicContact CB-CG1 4.49Å; F824-V826 PolarHBondContact O-N 3.19Å; V826-M849 VanDerWaalsContact O-CB 3.3Å; V826-M849 WeakPolarHBondContact O-CB 3.33Å; V826-M849 PolarHBondContact O-N 2.83Å |
| 827 | G | 94.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 171.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | P814 L815 V847 | P814-G827 CarbonylContact C-O 3.58Å; P814-G827 WeakPolarHBondContact CA-O 3.25Å; L815-G827 PolarHBondContact N-O 3.37Å; L815-G827 PolarHBondContact O-N 2.88Å; G827-V847 CarbonylContact C-O 3.53Å; G827-V847 WeakPolarHBondContact CA-O 3.46Å |
| 828 | V | 96.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.1 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | F652 V666 A668 I722 S830 Y846 V847 M849 | F652-V828 HydrophobicContact CE1-CG1 4.48Å; F652-V828 HydrophobicContact CE1-CG2 3.93Å; F652-V828 HydrophobicContact CZ-CG2 3.9Å; V666-V828 HydrophobicContact CG1-CG2 3.84Å; A668-V828 HydrophobicContact CB-CG1 4.47Å; I722-V828 HydrophobicContact CD1-CG2 4Å; I722-V828 HydrophobicContact CG1-CG2 4.33Å; V828-S830 PolarHBondContact O-N 2.81Å; V828-S830 VanDerWaalsContact O-N 3.12Å; V828-Y846 CarbonylContact O-C 3.53Å; V828-Y846 WeakPolarHBondContact O-CA 3.27Å; V828-V847 HydrophobicContact CB-CB 4.14Å; V828-V847 HydrophobicContact CB-CG2 4.4Å; V828-V847 PolarHBondContact N-O 3.08Å; V828-V847 PolarHBondContact O-N 3.16Å; V828-M849 HydrophobicContact CG2-SD 4.34Å |
| 829 | L | 94.8 | Very high | 82 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 115.7 | -176.8 | -179.7 | 62.2 | 0 | 0 | 0 | 110.2 | P806 D810 G812 S813 Y846 | P806-L829 HydrophobicContact CB-CD2 3.62Å; P806-L829 HydrophobicContact CG-CD2 4.46Å; D810-L829 HydrophobicContact CB-CD2 3.83Å; D810-L829 WeakPolarHBondContact O-CD2 3.27Å; G812-L829 PolarHBondContact N-O 2.79Å; S813-L829 PolarHBondContact O-N 3.28Å; L829-Y846 VanDerWaalsContact CA-CD1 3.44Å; L829-Y846 VanDerWaalsContact CA-CE1 3.47Å; L829-Y846 HydrophobicContact CB-CD1 4.03Å; L829-Y846 HydrophobicContact CB-CE1 3.48Å; L829-Y846 VanDerWaalsContact CB-CE1 3.48Å; L829-Y846 HydrophobicContact CD1-CD2 4.22Å; L829-Y846 HydrophobicContact CD1-CE1 4.06Å; L829-Y846 HydrophobicContact CD1-CE2 3.64Å; L829-Y846 HydrophobicContact CG-CE1 4.33Å |
| 830 | S | 91.6 | Very high | 82 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -56.6 | -179 | 174 | 0 | 0 | 0 | 0 | 111.4 | H670 D721 V828 F845 | H670-S830 PolarHBondContact CE1-O 2.77Å; D721-S830 VanDerWaalsContact CB-OG 3.3Å; D721-S830 WeakPolarHBondContact CB-OG 3.16Å; D721-S830 WeakPolarHBondContact OD2-CA 3.08Å; D721-S830 VanDerWaalsContact OD2-CB 3.26Å; D721-S830 WeakPolarHBondContact OD2-CB 3.35Å; D721-S830 PolarHBondContact OD2-OG 2.97Å; V828-S830 PolarHBondContact O-N 2.81Å; V828-S830 VanDerWaalsContact O-N 3.12Å; S830-F845 PolarHBondContact N-O 2.85Å |
| 831 | L | 87.9 | Confident | 82.6 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137 | -174.3 | -173.6 | 68.8 | 0 | 0 | 0 | 111.3 | F787 G844 F845 | F787-L831 HydrophobicContact CE2-CD2 4.37Å; L831-G844 CarbonylContact O-C 3.59Å; L831-G844 WeakPolarHBondContact O-CA 3.38Å; L831-F845 HydrophobicContact CB-CB 4.3Å; L831-F845 HydrophobicContact CB-CD2 4.17Å; L831-F845 HydrophobicContact CD2-CD2 3.95Å; L831-F845 HydrophobicContact CD2-CE2 4.35Å; L831-F845 HydrophobicContact CG-CD2 4.35Å; L831-F845 PolarHBondContact N-O 2.79Å; L831-F845 VanDerWaalsContact N-O 3.16Å; L831-F845 PolarHBondContact O-N 3.09Å |
| 832 | G | 83.3 | Confident | 83.5 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | trans | -128.5 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 833 | P | 78.4 | Confident | 84.1 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | trans | -60.1 | 148.6 | 175.2 | 28.7 | -38.3 | 0 | 0 | 0 | 111.3 | F805 N835 C836 E839 P842 | F805-P833 HydrophobicContact CD1-CG 3.93Å; F805-P833 VanDerWaalsContact CE1-CD 3.45Å; F805-P833 HydrophobicContact CE1-CG 4.28Å; P833-N835 PolarHBondContact O-N 3.24Å; P833-C836 HydrophobicContact CG-CB 4.21Å; P833-E839 WeakPolarHBondContact CB-OE2 3.46Å; P833-P842 HydrophobicContact CB-CB 4.1Å; P833-P842 HydrophobicContact CG-CB 3.75Å | ||
| 834 | A | 73.3 | Confident | 84.1 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 65% | 0.653 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -60.3 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 835 | N | 76.6 | Confident | 84.2 | Confident | 102 Ų | 102 | 35.7 Ų | 35.7 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -126.8 | 95.2 | 175.6 | -71.2 | -34.9 | 0 | 0 | 0 | 110.8 | P833 S837 S838 E839 | P833-N835 PolarHBondContact O-N 3.24Å; N835-S837 PolarHBondContact O-N 2.87Å; N835-S837 VanDerWaalsContact O-N 3.13Å; N835-S838 WeakPolarHBondContact CB-OG 3.29Å; N835-S838 PolarHBondContact O-N 3.03Å; N835-E839 PolarHBondContact O-N 2.87Å |
| 836 | C | 77.7 | Confident | 84.1 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.054 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22 | -174 | -30.4 | 0 | 0 | 0 | 0 | 114.6 | C807 P833 | C807-C836 WeakPolarHBondContact CA-SG 3.32Å; C807-C836 HydrophobicContact CB-CB 3.58Å; C807-C836 WeakPolarHBondContact CB-SG 3.34Å; C807-C836 WeakPolarHBondContact SG-CB 3.2Å; C807-C836 CovalentContact SG-SG 2.04Å; C807-C836 PolarHBondContact SG-SG 3.01Å; P833-C836 HydrophobicContact CG-CB 4.21Å |
| 837 | S | 71.1 | Confident | 84 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -24.6 | -176.1 | -62.7 | 0 | 0 | 0 | 0 | 114.8 | N835 | N835-S837 PolarHBondContact O-N 2.87Å; N835-S837 VanDerWaalsContact O-N 3.13Å |
| 838 | S | 71.6 | Confident | 83.8 | Confident | 73 Ų | 73 | 38 Ų | 38 | 51% | 0.51 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -21.7 | -170.2 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | N835 | N835-S838 WeakPolarHBondContact CB-OG 3.29Å; N835-S838 PolarHBondContact O-N 3.03Å |
| 839 | E | 73.5 | Confident | 83.6 | Confident | 82 Ų | 82 | 38 Ų | 38 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -71.5 | 124.6 | -177.2 | -164.6 | 163.1 | 174.1 | 0 | 0 | 110.9 | P833 N835 D841 | P833-E839 WeakPolarHBondContact CB-OE2 3.46Å; N835-E839 PolarHBondContact O-N 2.87Å; E839-D841 PolarHBondContact O-N 2.78Å |
| 840 | P | 74 | Confident | 83.1 | Confident | 108 Ų | 108 | 38.3 Ų | 38.3 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -70.7 | 122.4 | 172.5 | 27 | -29.2 | 0 | 0 | 0 | 109.5 | ||
| 841 | D | 78.1 | Confident | 82.8 | Confident | 85 Ų | 85 | 40.3 Ų | 40.3 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 61.1 | 64.8 | 177.7 | -172 | 10.8 | 0 | 0 | 0 | 113.1 | R798 E839 | R798-D841 WeakPolarHBondContact CD-OD1 3.45Å; R798-D841 IonicContact CZ-OD1 3.81Å; R798-D841 IonicContact CZ-OD2 2.94Å; R798-D841 PolarHBondContact NH1-O 2.78Å; R798-D841 IonicContact NH1-OD1 3.43Å; R798-D841 PolarHBondContact NH1-OD1 3.25Å; R798-D841 IonicContact NH1-OD2 3.46Å; R798-D841 PolarHBondContact NH1-OD2 2.97Å; E839-D841 PolarHBondContact O-N 2.78Å |
| 842 | P | 84.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -64.1 | 138.3 | -176.2 | 27.6 | -35 | 0 | 0 | 0 | 112 | D799 F805 P833 | D799-P842 HydrophobicContact CB-CG 4.09Å; F805-P842 HydrophobicContact CB-CG 3.95Å; F805-P842 HydrophobicContact CD1-CB 4.42Å; F805-P842 HydrophobicContact CD2-CB 4.31Å; F805-P842 HydrophobicContact CD2-CG 3.86Å; F805-P842 HydrophobicContact CG-CB 4.16Å; F805-P842 HydrophobicContact CG-CG 3.89Å; P833-P842 HydrophobicContact CB-CB 4.1Å; P833-P842 HydrophobicContact CG-CB 3.75Å | ||
| 843 | V | 88.2 | Confident | 82.9 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.2 | 172.9 | -179 | 0 | 0 | 0 | 0 | 109.3 | V797 R798 F845 | V797-V843 WeakPolarHBondContact O-CA 3.43Å; R798-V843 HydrophobicContact CG-CG2 4.32Å; R798-V843 VanDerWaalsContact CZ-CG2 3.5Å; V843-F845 HydrophobicContact CG1-CE2 4.22Å; V843-F845 HydrophobicContact CG1-CZ 3.98Å |
| 844 | G | 89.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 170.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V797 L831 | V797-G844 WeakPolarHBondContact CG2-O 3.32Å; V797-G844 PolarHBondContact N-O 3.35Å; V797-G844 PolarHBondContact O-N 2.9Å; L831-G844 CarbonylContact O-C 3.59Å; L831-G844 WeakPolarHBondContact O-CA 3.38Å |
| 845 | F | 91.6 | Very high | 83.5 | Confident | 17 Ų | 17 | 40 Ų | 40 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.4 | -172 | -58.2 | -81.5 | 0 | 0 | 0 | 110.7 | C785 F787 I794 L795 C796 S830 L831 V843 | C785-F845 HydrophobicContact CB-CE1 4.01Å; C785-F845 HydrophobicContact CB-CZ 4.35Å; F787-F845 HydrophobicContact CD2-CD1 4.2Å; F787-F845 HydrophobicContact CD2-CD2 4.37Å; F787-F845 AromaticContact CD2-CE1 3.72Å; F787-F845 HydrophobicContact CD2-CE1 3.72Å; F787-F845 AromaticContact CD2-CE2 3.92Å; F787-F845 HydrophobicContact CD2-CE2 3.92Å; F787-F845 HydrophobicContact CD2-CG 4.48Å; F787-F845 AromaticContact CD2-CZ 3.57Å; F787-F845 HydrophobicContact CD2-CZ 3.57Å; F787-F845 HydrophobicContact CE2-CD2 4.36Å; F787-F845 AromaticContact CE2-CE2 3.92Å; F787-F845 HydrophobicContact CE2-CE2 3.92Å; F787-F845 HydrophobicContact CE2-CZ 4Å; I794-F845 HydrophobicContact CD1-CD1 3.79Å; I794-F845 HydrophobicContact CD1-CE1 4.21Å; L795-F845 WeakPolarHBondContact O-CA 3.44Å; C796-F845 HydrophobicContact CB-CE1 4.47Å; S830-F845 PolarHBondContact N-O 2.85Å; L831-F845 HydrophobicContact CB-CB 4.3Å; L831-F845 HydrophobicContact CB-CD2 4.17Å; L831-F845 HydrophobicContact CD2-CD2 3.95Å; L831-F845 HydrophobicContact CD2-CE2 4.35Å; L831-F845 HydrophobicContact CG-CD2 4.35Å; L831-F845 PolarHBondContact N-O 2.79Å; L831-F845 VanDerWaalsContact N-O 3.16Å; L831-F845 PolarHBondContact O-N 3.09Å; V843-F845 HydrophobicContact CG1-CE2 4.22Å; V843-F845 HydrophobicContact CG1-CZ 3.98Å |
| 846 | Y | 93.6 | Very high | 84 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.4 | 172.5 | -76.1 | -103.6 | 0 | 0 | 0 | 109.4 | A757 I794 L795 V797 L815 V828 L829 | A757-Y846 WeakPolarHBondContact CB-OH 3.13Å; I794-Y846 CarbonylContact C-O 3.58Å; I794-Y846 WeakPolarHBondContact CA-O 3.22Å; L795-Y846 PolarHBondContact N-O 3.39Å; L795-Y846 PolarHBondContact O-N 3.46Å; V797-Y846 HydrophobicContact CG1-CD2 4.03Å; V797-Y846 HydrophobicContact CG1-CE2 4.4Å; V797-Y846 HydrophobicContact CG2-CD2 3.78Å; V797-Y846 HydrophobicContact CG2-CE2 3.69Å; L815-Y846 HydrophobicContact CB-CD1 3.43Å; L815-Y846 VanDerWaalsContact CB-CD1 3.43Å; L815-Y846 HydrophobicContact CB-CD2 4.48Å; L815-Y846 HydrophobicContact CB-CE1 3.49Å; L815-Y846 VanDerWaalsContact CB-CE1 3.49Å; L815-Y846 HydrophobicContact CB-CG 3.97Å; L815-Y846 HydrophobicContact CD1-CE2 4.5Å; L815-Y846 HydrophobicContact CD2-CD2 4.33Å; L815-Y846 HydrophobicContact CD2-CG 4.24Å; V828-Y846 CarbonylContact O-C 3.53Å; V828-Y846 WeakPolarHBondContact O-CA 3.27Å; L829-Y846 VanDerWaalsContact CA-CD1 3.44Å; L829-Y846 VanDerWaalsContact CA-CE1 3.47Å; L829-Y846 HydrophobicContact CB-CD1 4.03Å; L829-Y846 HydrophobicContact CB-CE1 3.48Å; L829-Y846 VanDerWaalsContact CB-CE1 3.48Å; L829-Y846 HydrophobicContact CD1-CD2 4.22Å; L829-Y846 HydrophobicContact CD1-CE1 4.06Å; L829-Y846 HydrophobicContact CD1-CE2 3.64Å; L829-Y846 HydrophobicContact CG-CE1 4.33Å |
| 847 | V | 93.3 | Very high | 84.2 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 135.7 | 165.2 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | D721 I722 G827 V828 M849 Y852 | D721-V847 HydrophobicContact CB-CG2 4.21Å; D721-V847 WeakPolarHBondContact O-CG2 3.21Å; I722-V847 HydrophobicContact CB-CG1 4.36Å; I722-V847 HydrophobicContact CD1-CG1 4.46Å; G827-V847 CarbonylContact C-O 3.53Å; G827-V847 WeakPolarHBondContact CA-O 3.46Å; V828-V847 HydrophobicContact CB-CB 4.14Å; V828-V847 HydrophobicContact CB-CG2 4.4Å; V828-V847 PolarHBondContact N-O 3.08Å; V828-V847 PolarHBondContact O-N 3.16Å; V847-M849 PolarHBondContact O-N 3.29Å; V847-Y852 HydrophobicContact CG1-CD2 3.71Å; V847-Y852 HydrophobicContact CG1-CE1 4.33Å; V847-Y852 HydrophobicContact CG1-CE2 3.45Å; V847-Y852 VanDerWaalsContact CG1-CE2 3.45Å; V847-Y852 HydrophobicContact CG1-CG 4.27Å |
| 848 | R | 91.5 | Very high | 84.5 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 95.9 | -177.3 | -178.7 | 172.9 | -62.3 | -171.8 | 11.1 | 110.9 | D791 R793 I794 L795 D850 N851 Y852 | D791-R848 PolarHBondContact O-NE 2.8Å; D791-R848 PolarHBondContact O-NH1 3.03Å; D791-R848 PolarHBondContact O-NH2 3.23Å; D791-R848 IonicContact OD1-CZ 3.41Å; D791-R848 IonicContact OD1-NH1 3.35Å; D791-R848 IonicContact OD1-NH2 3.81Å; D791-R848 PolarHBondContact OD1-NH2 3.48Å; R793-R848 WeakPolarHBondContact O-CB 3.11Å; R793-R848 PolarHBondContact O-N 3.37Å; I794-R848 PolarHBondContact O-NE 3.35Å; I794-R848 PolarHBondContact O-NH2 2.98Å; L795-R848 HydrophobicContact CD2-CG 4.15Å; L795-R848 HydrophobicContact CG-CB 4.03Å; L795-R848 HydrophobicContact CG-CG 4.09Å; R848-D850 WeakPolarHBondContact CG-OD1 3.49Å; R848-D850 PolarHBondContact O-N 2.72Å; R848-N851 PolarHBondContact O-N 2.55Å; R848-Y852 VanDerWaalsContact O-CD2 3.27Å; R848-Y852 WeakPolarHBondContact O-CD2 3.39Å |
| 849 | M | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -63.4 | -33.1 | -165 | -168.4 | 67.5 | -124.9 | 0 | 0 | 114.5 | I722 L742 A825 V826 V828 V847 N851 Y852 H853 A856 | I722-M849 HydrophobicContact CD1-CE 4.05Å; I722-M849 HydrophobicContact CD1-SD 3.82Å; L742-M849 HydrophobicContact CD1-CE 3.48Å; L742-M849 VanDerWaalsContact CD1-CE 3.48Å; L742-M849 HydrophobicContact CD1-CG 3.58Å; L742-M849 HydrophobicContact CD1-SD 3.72Å; L742-M849 HydrophobicContact CD2-CE 3.98Å; L742-M849 HydrophobicContact CG-CE 3.96Å; L742-M849 HydrophobicContact CG-CG 4.09Å; A825-M849 WeakPolarHBondContact O-CG 3.48Å; V826-M849 VanDerWaalsContact O-CB 3.3Å; V826-M849 WeakPolarHBondContact O-CB 3.33Å; V826-M849 PolarHBondContact O-N 2.83Å; V828-M849 HydrophobicContact CG2-SD 4.34Å; V847-M849 PolarHBondContact O-N 3.29Å; M849-N851 PolarHBondContact O-N 2.9Å; M849-Y852 CarbonylContact O-C 3.57Å; M849-Y852 WeakPolarHBondContact O-CA 3.12Å; M849-Y852 PolarHBondContact O-N 2.79Å; M849-H853 PolarHBondContact O-N 2.87Å; M849-A856 HydrophobicContact CE-CB 3.9Å |
| 850 | D | 84.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -60.9 | -28.6 | 179.8 | 53.8 | -62.9 | 0 | 0 | 0 | 113.5 | A743 V748 R848 | A743-D850 HydrophobicContact CB-CB 4.48Å; V748-D850 HydrophobicContact CB-CB 4.41Å; V748-D850 HydrophobicContact CG2-CB 3.79Å; R848-D850 WeakPolarHBondContact CG-OD1 3.49Å; R848-D850 PolarHBondContact O-N 2.72Å |
| 851 | N | 86.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 28% | 0.283 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -85.4 | -11.6 | 174.6 | -73.5 | -30.9 | 0 | 0 | 0 | 113.6 | K745 A792 R848 M849 | K745-N851 WeakPolarHBondContact CE-OD1 3.4Å; A792-N851 WeakPolarHBondContact O-CB 3.39Å; A792-N851 PolarHBondContact O-ND2 2.85Å; R848-N851 PolarHBondContact O-N 2.55Å; M849-N851 PolarHBondContact O-N 2.9Å |
| 852 | Y | 87.2 | Confident | 85.9 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 3.1 | 175.4 | -70.7 | -104.7 | 0 | 0 | 0 | 112.2 | H711 N720 I722 R793 V847 R848 M849 D854 W855 A856 | H711-Y852 HydrophobicContact CB-CE1 4.47Å; H711-Y852 AromaticContact CD2-CD1 3.65Å; H711-Y852 AromaticContact CD2-CE1 3.48Å; H711-Y852 VanDerWaalsContact CD2-CE1 3.48Å; H711-Y852 WeakPolarHBondContact CD2-CE1 3.29Å; N720-Y852 HydrophobicContact CB-CE1 4.43Å; N720-Y852 PolarHBondContact OD1-OH 3.37Å; I722-Y852 HydrophobicContact CG2-CD1 3.7Å; I722-Y852 HydrophobicContact CG2-CE1 3.73Å; R793-Y852 HydrophobicContact CB-CE2 4.35Å; R793-Y852 WeakPolarHBondContact CD-OH 3.42Å; R793-Y852 HydrophobicContact CG-CE2 4.45Å; V847-Y852 HydrophobicContact CG1-CD2 3.71Å; V847-Y852 HydrophobicContact CG1-CE1 4.33Å; V847-Y852 HydrophobicContact CG1-CE2 3.45Å; V847-Y852 VanDerWaalsContact CG1-CE2 3.45Å; V847-Y852 HydrophobicContact CG1-CG 4.27Å; R848-Y852 VanDerWaalsContact O-CD2 3.27Å; R848-Y852 WeakPolarHBondContact O-CD2 3.39Å; M849-Y852 CarbonylContact O-C 3.57Å; M849-Y852 WeakPolarHBondContact O-CA 3.12Å; M849-Y852 PolarHBondContact O-N 2.79Å; Y852-D854 PolarHBondContact O-N 3.15Å; Y852-W855 HydrophobicContact CD1-CE3 4.09Å; Y852-W855 PolarHBondContact O-N 3.47Å; Y852-A856 WeakPolarHBondContact O-CB 3.43Å; Y852-A856 PolarHBondContact O-N 3.49Å |
| 853 | H | 85 | Confident | 85.8 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.4 | -56.2 | -179.3 | 178.2 | -86.7 | 0 | 0 | 0 | 111.9 | M849 W855 A856 I857 | M849-H853 PolarHBondContact O-N 2.87Å; H853-W855 VanDerWaalsContact C-N 3.31Å; H853-W855 PolarHBondContact O-N 3.35Å; H853-A856 WeakPolarHBondContact O-CB 3.38Å; H853-A856 PolarHBondContact O-N 3.04Å; H853-A856 VanDerWaalsContact O-N 3.08Å; H853-I857 WeakPolarHBondContact O-CG1 3.44Å; H853-I857 PolarHBondContact O-N 2.81Å |
| 854 | D | 78.7 | Confident | 85.3 | Confident | 104 Ų | 104 | 40.3 Ų | 40.3 | 56% | 0.556 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.8 | -34.7 | -175.7 | -56.9 | -24.1 | 0 | 0 | 0 | 112.3 | Y852 K858 | Y852-D854 PolarHBondContact O-N 3.15Å; D854-K858 WeakPolarHBondContact O-CB 3.48Å; D854-K858 VanDerWaalsContact O-CG 3.32Å; D854-K858 WeakPolarHBondContact O-CG 3.36Å; D854-K858 PolarHBondContact O-N 3.14Å; D854-K858 VanDerWaalsContact O-N 3.11Å |
| 855 | W | 86.5 | Confident | 84.6 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 171.3 | 168.3 | 79 | 0 | 0 | 0 | 110.6 | V709 H711 I722 L724 Y852 H853 I857 K858 T859 | V709-W855 HydrophobicContact CG1-CZ2 4.39Å; H711-W855 HydrophobicContact CB-CD2 4.1Å; H711-W855 HydrophobicContact CB-CH2 4.15Å; H711-W855 HydrophobicContact CB-CZ2 3.58Å; H711-W855 AromaticContact CD2-CD1 3.85Å; H711-W855 AromaticContact CD2-CG 3.84Å; H711-W855 AromaticContact CE1-CD1 3.81Å; H711-W855 AromaticContact CG-CD1 3.76Å; H711-W855 AromaticContact CG-CE2 3.76Å; H711-W855 AromaticContact CG-NE1 3.54Å; H711-W855 AromaticContact ND1-CD1 3.71Å; H711-W855 AromaticContact ND1-NE1 3.6Å; H711-W855 AromaticContact NE2-CD1 3.91Å; I722-W855 HydrophobicContact CB-CZ3 4.44Å; I722-W855 HydrophobicContact CD1-CZ3 3.77Å; I722-W855 HydrophobicContact CG1-CH2 4.19Å; I722-W855 HydrophobicContact CG1-CZ3 3.83Å; I722-W855 HydrophobicContact CG2-CH2 3.94Å; I722-W855 HydrophobicContact CG2-CZ3 3.81Å; L724-W855 HydrophobicContact CD1-CE3 4.42Å; L724-W855 HydrophobicContact CD1-CH2 3.56Å; L724-W855 HydrophobicContact CD1-CZ3 3.42Å; L724-W855 VanDerWaalsContact CD1-CZ3 3.42Å; Y852-W855 HydrophobicContact CD1-CE3 4.09Å; Y852-W855 PolarHBondContact O-N 3.47Å; H853-W855 VanDerWaalsContact C-N 3.31Å; H853-W855 PolarHBondContact O-N 3.35Å; W855-I857 PolarHBondContact O-N 3.22Å; W855-K858 PolarHBondContact O-N 3.33Å; W855-T859 HydrophobicContact CZ2-CG2 4.27Å; W855-T859 PolarHBondContact NE1-OG1 3.22Å; W855-T859 VanDerWaalsContact O-CB 3.27Å; W855-T859 WeakPolarHBondContact O-CB 3.36Å; W855-T859 PolarHBondContact O-N 2.67Å; W855-T859 PolarHBondContact O-OG1 3.42Å; W855-T859 VanDerWaalsContact O-OG1 3.08Å |
| 856 | A | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L724 L742 M849 Y852 H853 T859 M860 | L724-A856 HydrophobicContact CD1-CB 4.42Å; L724-A856 HydrophobicContact CD2-CB 4.13Å; L724-A856 WeakPolarHBondContact CD2-O 3.14Å; L742-A856 HydrophobicContact CD2-CB 3.94Å; M849-A856 HydrophobicContact CE-CB 3.9Å; Y852-A856 WeakPolarHBondContact O-CB 3.43Å; Y852-A856 PolarHBondContact O-N 3.49Å; H853-A856 WeakPolarHBondContact O-CB 3.38Å; H853-A856 PolarHBondContact O-N 3.04Å; H853-A856 VanDerWaalsContact O-N 3.08Å; A856-T859 PolarHBondContact O-N 3.14Å; A856-M860 WeakPolarHBondContact O-CG 3.02Å; A856-M860 PolarHBondContact O-N 2.88Å |
| 857 | I | 81.8 | Confident | 83.3 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.7 | -51.8 | 176.1 | -60.7 | -52.6 | 0 | 0 | 0 | 111 | H853 W855 T859 M860 E861 | H853-I857 WeakPolarHBondContact O-CG1 3.44Å; H853-I857 PolarHBondContact O-N 2.81Å; W855-I857 PolarHBondContact O-N 3.22Å; I857-T859 VanDerWaalsContact C-N 3.34Å; I857-T859 PolarHBondContact O-N 3.36Å; I857-M860 HydrophobicContact CD1-CE 3.43Å; I857-M860 VanDerWaalsContact CD1-CE 3.43Å; I857-M860 HydrophobicContact CG1-CE 4.48Å; I857-M860 PolarHBondContact O-N 3.07Å; I857-E861 PolarHBondContact O-N 3.07Å |
| 858 | K | 78.1 | Confident | 83 | Confident | 137 Ų | 137 | 50.3 Ų | 50.3 | 60% | 0.596 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 179.2 | -71.1 | 175.3 | -179 | -178.3 | 0 | 112.3 | D854 W855 E861 Q862 | D854-K858 WeakPolarHBondContact O-CB 3.48Å; D854-K858 VanDerWaalsContact O-CG 3.32Å; D854-K858 WeakPolarHBondContact O-CG 3.36Å; D854-K858 PolarHBondContact O-N 3.14Å; D854-K858 VanDerWaalsContact O-N 3.11Å; W855-K858 PolarHBondContact O-N 3.33Å; K858-E861 PolarHBondContact O-N 3.08Å; K858-Q862 WeakPolarHBondContact O-CG 3.46Å; K858-Q862 PolarHBondContact O-N 3.26Å; K858-Q862 VanDerWaalsContact O-N 3.14Å |
| 859 | T | 84.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 179.9 | -68.9 | 0 | 0 | 0 | 0 | 112.4 | V709 L724 W855 A856 I857 E861 Q862 L863 | V709-T859 HydrophobicContact CB-CG2 3.59Å; V709-T859 HydrophobicContact CG1-CG2 3.65Å; V709-T859 HydrophobicContact CG2-CG2 4.27Å; L724-T859 HydrophobicContact CB-CG2 4.13Å; L724-T859 HydrophobicContact CD2-CG2 3.9Å; W855-T859 HydrophobicContact CZ2-CG2 4.27Å; W855-T859 PolarHBondContact NE1-OG1 3.22Å; W855-T859 VanDerWaalsContact O-CB 3.27Å; W855-T859 WeakPolarHBondContact O-CB 3.36Å; W855-T859 PolarHBondContact O-N 2.67Å; W855-T859 PolarHBondContact O-OG1 3.42Å; W855-T859 VanDerWaalsContact O-OG1 3.08Å; A856-T859 PolarHBondContact O-N 3.14Å; I857-T859 VanDerWaalsContact C-N 3.34Å; I857-T859 PolarHBondContact O-N 3.36Å; T859-E861 VanDerWaalsContact C-N 3.28Å; T859-E861 PolarHBondContact O-N 2.92Å; T859-Q862 PolarHBondContact O-N 3.24Å; T859-L863 HydrophobicContact CG2-CD1 3.89Å; T859-L863 HydrophobicContact CG2-CG 4.17Å; T859-L863 WeakPolarHBondContact O-CB 3.5Å; T859-L863 VanDerWaalsContact O-CG 3.3Å; T859-L863 WeakPolarHBondContact O-CG 3.41Å; T859-L863 PolarHBondContact O-N 3.49Å |
| 860 | M | 83.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 173.1 | -74.5 | -170.8 | -69.7 | 0 | 0 | 112.3 | I654 I664 L724 A856 I857 R864 | I654-M860 HydrophobicContact CD1-SD 3.92Å; I664-M860 HydrophobicContact CB-CG 4.49Å; I664-M860 HydrophobicContact CB-SD 4.2Å; I664-M860 HydrophobicContact CD1-CG 4.11Å; I664-M860 HydrophobicContact CG1-CG 3.9Å; I664-M860 HydrophobicContact CG1-SD 3.86Å; I664-M860 HydrophobicContact CG2-CG 4.02Å; I664-M860 HydrophobicContact CG2-SD 4.04Å; L724-M860 HydrophobicContact CD2-CG 3.76Å; A856-M860 WeakPolarHBondContact O-CG 3.02Å; A856-M860 PolarHBondContact O-N 2.88Å; I857-M860 HydrophobicContact CD1-CE 3.43Å; I857-M860 VanDerWaalsContact CD1-CE 3.43Å; I857-M860 HydrophobicContact CG1-CE 4.48Å; I857-M860 PolarHBondContact O-N 3.07Å; M860-R864 PolarHBondContact O-N 3.27Å |
| 861 | E | 78 | Confident | 82 | Confident | 94 Ų | 94 | 59.5 Ų | 59.5 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 175.7 | -57.6 | -164.2 | 124.2 | 0 | 0 | 112.1 | R87 I857 K858 T859 R864 G865 | R87-E861 IonicContact CZ-OE1 3.9Å; R87-E861 IonicContact NH1-OE1 3.4Å; R87-E861 PolarHBondContact NH1-OE1 2.84Å; R87-E861 IonicContact NH2-OE1 3.99Å; R87-E861 PolarHBondContact NH2-OE1 3.23Å; I857-E861 PolarHBondContact O-N 3.07Å; K858-E861 PolarHBondContact O-N 3.08Å; T859-E861 VanDerWaalsContact C-N 3.28Å; T859-E861 PolarHBondContact O-N 2.92Å; E861-R864 WeakPolarHBondContact O-CB 3.3Å; E861-R864 PolarHBondContact O-N 3.47Å; E861-G865 PolarHBondContact O-N 3.33Å |
| 862 | Q | 79.4 | Confident | 80.9 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -47 | 175.8 | -69.9 | 172.7 | -12.2 | 0 | 0 | 111.8 | K858 T859 R864 G865 A866 | K858-Q862 WeakPolarHBondContact O-CG 3.46Å; K858-Q862 PolarHBondContact O-N 3.26Å; K858-Q862 VanDerWaalsContact O-N 3.14Å; T859-Q862 PolarHBondContact O-N 3.24Å; Q862-R864 PolarHBondContact O-N 3.49Å; Q862-G865 PolarHBondContact O-N 2.95Å; Q862-A866 WeakPolarHBondContact O-CB 3.44Å; Q862-A866 PolarHBondContact O-N 3.37Å |
| 863 | L | 82.5 | Confident | 79.2 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -31.2 | 178.4 | -73.7 | 167.5 | 0 | 0 | 0 | 112.4 | I664 N707 V709 L724 R726 T859 A866 | I664-L863 HydrophobicContact CD1-CD1 4.46Å; N707-L863 HydrophobicContact CB-CD2 4.45Å; N707-L863 PolarHBondContact ND2-O 3.41Å; N707-L863 WeakPolarHBondContact OD1-CD2 3.07Å; V709-L863 HydrophobicContact CB-CD2 4.21Å; V709-L863 HydrophobicContact CG2-CD2 3.66Å; V709-L863 HydrophobicContact CG2-CG 4.14Å; L724-L863 HydrophobicContact CB-CD1 3.7Å; R726-L863 HydrophobicContact CB-CB 4.09Å; R726-L863 HydrophobicContact CB-CD1 4.35Å; R726-L863 VanDerWaalsContact CD-O 3.25Å; R726-L863 WeakPolarHBondContact CD-O 3.3Å; T859-L863 HydrophobicContact CG2-CD1 3.89Å; T859-L863 HydrophobicContact CG2-CG 4.17Å; T859-L863 WeakPolarHBondContact O-CB 3.5Å; T859-L863 VanDerWaalsContact O-CG 3.3Å; T859-L863 WeakPolarHBondContact O-CG 3.41Å; T859-L863 PolarHBondContact O-N 3.49Å; L863-A866 PolarHBondContact O-N 3.41Å |
| 864 | R | 77.8 | Confident | 77.4 | Confident | 105 Ų | 105 | 67 Ų | 67 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.7 | -171.6 | -178.6 | -67.7 | -179.9 | -0.1 | 112 | M860 E861 Q862 | M860-R864 PolarHBondContact O-N 3.27Å; E861-R864 WeakPolarHBondContact O-CB 3.3Å; E861-R864 PolarHBondContact O-N 3.47Å; Q862-R864 PolarHBondContact O-N 3.49Å |
| 865 | G | 74.7 | Confident | 75.8 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 52% | 0.515 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -79.9 | -19.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E861 Q862 | E861-G865 PolarHBondContact O-N 3.33Å; Q862-G865 PolarHBondContact O-N 2.95Å |
| 866 | A | 79.1 | Confident | 73.7 | Confident | 29 Ų | 29 | 70.1 Ų | 70.1 | 24% | 0.24 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -67.5 | 148.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R706 N707 Q862 L863 | R706-A866 PolarHBondContact NH2-O 3.22Å; N707-A866 WeakPolarHBondContact ND2-CB 3.17Å; N707-A866 PolarHBondContact ND2-O 3.35Å; Q862-A866 WeakPolarHBondContact O-CB 3.44Å; Q862-A866 PolarHBondContact O-N 3.37Å; L863-A866 PolarHBondContact O-N 3.41Å |
| 867 | P | 80.3 | Confident | 71.6 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | trans | -60.7 | 151.3 | 178.8 | 24.9 | -33.9 | 0 | 0 | 0 | 111.7 | N707 Q869 | N707-P867 PolarHBondContact ND2-O 2.69Å; P867-Q869 PolarHBondContact O-N 2.79Å | ||
| 868 | D | 85.7 | Confident | 69.3 | Low | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 43% | 0.426 | S | S | . | . | trans | -74 | 113.1 | 171.1 | -177.1 | -0.5 | 0 | 0 | 0 | 109.5 | R706 S870 | R706-D868 HydrophobicContact CG-CB 3.84Å; D868-S870 VanDerWaalsContact CG-OG 3.26Å; D868-S870 WeakPolarHBondContact OD1-CB 3.43Å; D868-S870 PolarHBondContact OD1-N 3.08Å; D868-S870 PolarHBondContact OD1-OG 3.27Å; D868-S870 PolarHBondContact OD2-OG 3.28Å | ||
| 869 | Q | 86.6 | Confident | 67.5 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | trans | -100.1 | 7.1 | 179.1 | -69.4 | 179 | -27.4 | 0 | 0 | 112.4 | P681 R706 P867 K871 T872 | P681-Q869 HydrophobicContact CB-CB 4.48Å; P681-Q869 HydrophobicContact CG-CB 3.81Å; R706-Q869 CarbonylContact O-C 3.57Å; R706-Q869 WeakPolarHBondContact O-CA 3.26Å; R706-Q869 PolarHBondContact O-N 3.46Å; P867-Q869 PolarHBondContact O-N 2.79Å; Q869-K871 PolarHBondContact O-N 3.12Å; Q869-K871 VanDerWaalsContact O-N 3.17Å; Q869-T872 WeakPolarHBondContact CA-OG1 3.17Å; Q869-T872 PolarHBondContact O-N 3.34Å; Q869-T872 PolarHBondContact O-OG1 2.87Å | ||
| 870 | S | 82.6 | Confident | 65.2 | Low | 10 Ų | 10 | 89.3 Ų | 89.3 | 7% | 0.07 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.9 | -179.2 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | R682 V705 R706 D868 | R682-S870 VanDerWaalsContact CB-O 3.32Å; R682-S870 WeakPolarHBondContact CB-O 3.28Å; R682-S870 WeakPolarHBondContact CG-O 3.34Å; V705-S870 VanDerWaalsContact O-CB 3.28Å; V705-S870 WeakPolarHBondContact O-CB 3.24Å; R706-S870 PolarHBondContact O-N 3.07Å; D868-S870 VanDerWaalsContact CG-OG 3.26Å; D868-S870 WeakPolarHBondContact OD1-CB 3.43Å; D868-S870 PolarHBondContact OD1-N 3.08Å; D868-S870 PolarHBondContact OD1-OG 3.27Å; D868-S870 PolarHBondContact OD2-OG 3.28Å |
| 871 | K | 76.9 | Confident | 63.3 | Low | 161 Ų | 161 | 93.8 Ų | 93.8 | 70% | 0.7 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -6.6 | 178.6 | -65.9 | -173 | -179.7 | -179.9 | 0 | 113.8 | Q869 L873 | Q869-K871 PolarHBondContact O-N 3.12Å; Q869-K871 VanDerWaalsContact O-N 3.17Å; K871-L873 PolarHBondContact O-N 3.13Å; K871-L873 VanDerWaalsContact O-N 3.15Å |
| 872 | T | 64.2 | Low | 61.4 | Low | 60 Ų | 60 | 95.7 Ų | 95.7 | 37% | 0.368 | 50% | 0.499 | S | S | . | . | trans | -68.6 | 115.3 | -172.7 | -48.1 | 0 | 0 | 0 | 0 | 110.2 | S680 Q869 S874 | S680-T872 PolarHBondContact OG-O 3.48Å; Q869-T872 WeakPolarHBondContact CA-OG1 3.17Å; Q869-T872 PolarHBondContact O-N 3.34Å; Q869-T872 PolarHBondContact O-OG1 2.87Å; T872-S874 PolarHBondContact O-N 3.12Å | ||
| 873 | L | 49.8 | Very low | 59.8 | Low | 143 Ų | 143 | 97.2 Ų | 97.2 | 75% | 0.749 | 51% | 0.506 | S | S | * | . | trans | -82.9 | 11.1 | 177.4 | -100.8 | 143.1 | 0 | 0 | 0 | 113 | K871 D875 | K871-L873 PolarHBondContact O-N 3.13Å; K871-L873 VanDerWaalsContact O-N 3.15Å; L873-D875 PolarHBondContact O-N 3.23Å | ||
| 874 | S | 48.9 | Very low | 57.9 | Low | 55 Ų | 55 | 104 Ų | 104 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | trans | -58.7 | 113.2 | -174.4 | 58 | 0 | 0 | 0 | 0 | 109.3 | T872 G876 | T872-S874 PolarHBondContact O-N 3.12Å; S874-G876 PolarHBondContact O-N 2.91Å | ||
| 875 | D | 44.1 | Very low | 56.3 | Low | 158 Ų | 158 | 102.1 Ų | 102.1 | 85% | 0.845 | 54% | 0.536 | S | S | * | . | trans | -40.1 | 113.3 | 153.2 | -73.7 | -36.6 | 0 | 0 | 0 | 105.8 | L873 V877 | L873-D875 PolarHBondContact O-N 3.23Å; D875-V877 PolarHBondContact O-N 3.47Å | ||
| 876 | G | 41.5 | Very low | 54.7 | Low | 39 Ų | 39 | 106.9 Ų | 106.9 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | trans | -39.9 | 125.2 | -159.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S874 K878 | S874-G876 PolarHBondContact O-N 2.91Å; G876-K878 PolarHBondContact O-N 2.9Å | ||
| 877 | V | 42.3 | Very low | 53 | Low | 110 Ų | 110 | 108.7 Ų | 108.7 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | trans | -56.6 | 97.6 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 106.7 | D875 I879 | D875-V877 PolarHBondContact O-N 3.47Å; V877-I879 HydrophobicContact CG1-CD1 4.42Å; V877-I879 HydrophobicContact CG1-CG1 3.73Å; V877-I879 PolarHBondContact O-N 2.74Å | ||
| 878 | K | 35.3 | Very low | 50.9 | Low | 157 Ų | 157 | 110 Ų | 110 | 68% | 0.683 | 56% | 0.564 | S | S | * | * | trans | -75.7 | 82.8 | 175.7 | -78.3 | -177.3 | -178.7 | 174.9 | 0 | 106.1 | T677 G876 R880 | T677-K878 HydrophobicContact CG2-CG 3.8Å; G876-K878 PolarHBondContact O-N 2.9Å; K878-R880 PolarHBondContact O-N 3.03Å | ||
| 879 | I | 39.9 | Very low | 48.8 | Very low | 114 Ų | 114 | 109.9 Ų | 109.9 | 59% | 0.585 | 58% | 0.578 | S | S | * | * | trans | -70.3 | 88.3 | 162.5 | -48 | -178.9 | 0 | 0 | 0 | 105.9 | V877 F881 | V877-I879 HydrophobicContact CG1-CD1 4.42Å; V877-I879 HydrophobicContact CG1-CG1 3.73Å; V877-I879 PolarHBondContact O-N 2.74Å; I879-F881 HydrophobicContact CB-CD2 4.42Å; I879-F881 HydrophobicContact CB-CE2 3.88Å; I879-F881 HydrophobicContact CB-CZ 4.31Å; I879-F881 HydrophobicContact CG2-CD1 4.42Å; I879-F881 HydrophobicContact CG2-CD2 3.92Å; I879-F881 HydrophobicContact CG2-CE1 3.94Å; I879-F881 HydrophobicContact CG2-CE2 3.38Å; I879-F881 HydrophobicContact CG2-CG 4.42Å; I879-F881 HydrophobicContact CG2-CZ 3.4Å; I879-F881 WeakPolarHBondContact O-CD2 2.97Å; I879-F881 PolarHBondContact O-N 3.23Å; I879-F881 VanDerWaalsContact O-N 3.08Å | ||
| 880 | R | 34.7 | Very low | 46.7 | Very low | 233 Ų | 233 | 107.8 Ų | 107.8 | 88% | 0.879 | 57% | 0.569 | S | S | * | * | trans | -69.5 | 101 | 168.3 | -93.1 | -174.4 | 174.5 | 170.2 | -1.6 | 107.1 | K878 | K878-R880 PolarHBondContact O-N 3.03Š| ||
| 881 | F | 44.4 | Very low | 44.9 | Very low | 111 Ų | 111 | 111.7 Ų | 111.7 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | trans | -78.8 | 122.7 | 159.6 | -62.6 | -82.4 | 0 | 0 | 0 | 107.4 | I879 Q883 A905 | I879-F881 HydrophobicContact CB-CD2 4.42Å; I879-F881 HydrophobicContact CB-CE2 3.88Å; I879-F881 HydrophobicContact CB-CZ 4.31Å; I879-F881 HydrophobicContact CG2-CD1 4.42Å; I879-F881 HydrophobicContact CG2-CD2 3.92Å; I879-F881 HydrophobicContact CG2-CE1 3.94Å; I879-F881 HydrophobicContact CG2-CE2 3.38Å; I879-F881 HydrophobicContact CG2-CG 4.42Å; I879-F881 HydrophobicContact CG2-CZ 3.4Å; I879-F881 WeakPolarHBondContact O-CD2 2.97Å; I879-F881 PolarHBondContact O-N 3.23Å; I879-F881 VanDerWaalsContact O-N 3.08Å; F881-Q883 PolarHBondContact O-N 2.95Å; F881-Q883 VanDerWaalsContact O-N 3.16Å; F881-A905 HydrophobicContact CB-CB 3.9Å; F881-A905 HydrophobicContact CD1-CB 3.86Å; F881-A905 HydrophobicContact CG-CB 4.09Å | ||
| 882 | D | 37.9 | Very low | 43.6 | Very low | 135 Ų | 135 | 109 Ų | 109 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | trans | -56.3 | 123.7 | 170.7 | -113.8 | -28.6 | 0 | 0 | 0 | 108.1 | K884 | D882-K884 PolarHBondContact O-N 2.83Š| ||
| 883 | Q | 47.3 | Very low | 42.7 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -62.6 | -10.2 | -170.9 | -78.7 | -174.7 | -24.2 | 0 | 0 | 113.5 | F881 | F881-Q883 PolarHBondContact O-N 2.95Å; F881-Q883 VanDerWaalsContact O-N 3.16Å |
| 884 | K | 41.4 | Very low | 42.4 | Very low | 145 Ų | 145 | 106 Ų | 106 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | trans | -137.1 | 95.2 | 177.3 | -64.2 | -173.6 | 177.6 | 177.2 | 0 | 109.7 | D882 S902 | D882-K884 PolarHBondContact O-N 2.83Å; K884-S902 WeakPolarHBondContact CE-OG 3.4Å | ||
| 885 | V | 44.5 | Very low | 42.3 | Very low | 64 Ų | 64 | 106.1 Ų | 106.1 | 39% | 0.388 | 57% | 0.572 | S | S | . | * | trans | -90.5 | 114.2 | 167 | -172.2 | 0 | 0 | 0 | 0 | 107.5 | V887 A905 | V885-V887 HydrophobicContact CB-CG2 4.48Å; V885-V887 HydrophobicContact CG1-CG2 3.58Å; V885-A905 HydrophobicContact CG2-CB 4.47Å | ||
| 886 | I | 41.2 | Very low | 42.7 | Very low | 151 Ų | 151 | 102.4 Ų | 102.4 | 77% | 0.774 | 56% | 0.563 | S | S | * | * | trans | -87.7 | 104.5 | 170.2 | -58.2 | 174.6 | 0 | 0 | 0 | 106.5 | P888 | I886-P888 WeakPolarHBondContact O-CD 3.13Š| ||
| 887 | V | 44.4 | Very low | 42.9 | Very low | 67 Ų | 67 | 110.3 Ų | 110.3 | 41% | 0.406 | 59% | 0.587 | S | S | . | * | trans | -101.1 | 110.1 | 174 | -170 | 0 | 0 | 0 | 0 | 108.9 | V885 G889 L908 | V885-V887 HydrophobicContact CB-CG2 4.48Å; V885-V887 HydrophobicContact CG1-CG2 3.58Å; V887-G889 PolarHBondContact O-N 2.87Å; V887-L908 HydrophobicContact CG2-CD2 3.99Å | ||
| 888 | P | 35.4 | Very low | 43 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 133.8 | 174.6 | -19.9 | 32.2 | 0 | 0 | 0 | 110.8 | I886 | I886-P888 WeakPolarHBondContact O-CD 3.13Š|
| 889 | G | 42 | Very low | 43.4 | Very low | 59 Ų | 59 | 105.4 Ų | 105.4 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.9 | -19.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V887 L891 S892 | V887-G889 PolarHBondContact O-N 2.87Å; G889-L891 PolarHBondContact O-N 3.29Å; G889-S892 PolarHBondContact O-OG 2.9Å |
| 890 | L | 42.6 | Very low | 43.6 | Very low | 39 Ų | 39 | 106.4 Ų | 106.4 | 20% | 0.204 | 57% | 0.569 | C | S | . | * | G | 310 helix | trans | -73.3 | -9.7 | 176.2 | -151.7 | 87.7 | 0 | 0 | 0 | 113.6 | S892 L893 L908 | L890-S892 PolarHBondContact O-N 3.19Å; L890-S892 VanDerWaalsContact O-N 3.08Å; L890-L893 HydrophobicContact CD1-CD1 4.14Å; L890-L893 HydrophobicContact CG-CD1 4.45Å; L890-L893 PolarHBondContact O-N 3.3Å; L890-L893 VanDerWaalsContact O-N 3.09Å; L890-L908 HydrophobicContact CD1-CD1 3.81Å; L890-L908 HydrophobicContact CD2-CD1 3.21Å; L890-L908 HydrophobicContact CG-CD1 4.14Å |
| 891 | L | 44.4 | Very low | 44.3 | Very low | 92 Ų | 92 | 101.9 Ų | 101.9 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -60.2 | -13.4 | 178 | -83.7 | 154.1 | 0 | 0 | 0 | 114.1 | G889 K899 | G889-L891 PolarHBondContact O-N 3.29Å; L891-K899 HydrophobicContact CD2-CB 3.69Å; L891-K899 HydrophobicContact CD2-CD 3.88Å; L891-K899 HydrophobicContact CD2-CG 3.65Å; L891-K899 VanDerWaalsContact O-CE 3.32Å; L891-K899 WeakPolarHBondContact O-CE 3.34Å |
| 892 | S | 48.7 | Very low | 44.6 | Very low | 104 Ų | 104 | 99.7 Ų | 99.7 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -78.9 | -24.1 | 174.9 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | G889 L890 | G889-S892 PolarHBondContact O-OG 2.9Å; L890-S892 PolarHBondContact O-N 3.19Å; L890-S892 VanDerWaalsContact O-N 3.08Å |
| 893 | L | 45.2 | Very low | 45.1 | Very low | 110 Ų | 110 | 95.6 Ų | 95.6 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -92.8 | -8.4 | -177.4 | -67.8 | 167 | 0 | 0 | 0 | 113.2 | L890 | L890-L893 HydrophobicContact CD1-CD1 4.14Å; L890-L893 HydrophobicContact CG-CD1 4.45Å; L890-L893 PolarHBondContact O-N 3.3Å; L890-L893 VanDerWaalsContact O-N 3.09Å |
| 894 | V | 44.4 | Very low | 45.5 | Very low | 30 Ų | 30 | 90.5 Ų | 90.5 | 18% | 0.182 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -107.9 | 122.2 | -177.3 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | E898 L903 | V894-E898 HydrophobicContact CG1-CB 4.06Å; V894-L903 HydrophobicContact CG2-CD1 4.31Å |
| 895 | P | 47.7 | Very low | 46.2 | Very low | 57 Ų | 57 | 84.2 Ų | 84.2 | 37% | 0.37 | 49% | 0.486 | S | S | . | . | trans | -53.1 | 141.7 | 178.5 | -26.1 | 33.4 | 0 | 0 | 0 | 112.3 | K897 E898 | P895-K897 PolarHBondContact O-N 3.29Å; P895-E898 PolarHBondContact O-N 3.07Å | ||
| 896 | A | 51 | Low | 46.7 | Very low | 80 Ų | 80 | 83.1 Ų | 83.1 | 66% | 0.661 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -52.3 | -30.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E898 | A896-E898 VanDerWaalsContact C-N 3.29Å; A896-E898 PolarHBondContact O-N 3.31Å |
| 897 | K | 47 | Very low | 47.5 | Very low | 205 Ų | 205 | 76.8 Ų | 76.8 | 89% | 0.891 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -71.6 | -13.7 | 179.6 | -74.7 | -175.4 | 177.5 | 178.1 | 0 | 114.9 | P895 | P895-K897 PolarHBondContact O-N 3.29Š|
| 898 | E | 44.1 | Very low | 48.1 | Very low | 52 Ų | 52 | 74.9 Ų | 74.9 | 24% | 0.243 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -117.1 | 9.3 | -179.7 | -64.9 | -152.7 | 126.9 | 0 | 0 | 114.3 | V894 P895 A896 T900 K901 R918 | V894-E898 HydrophobicContact CG1-CB 4.06Å; P895-E898 PolarHBondContact O-N 3.07Å; A896-E898 VanDerWaalsContact C-N 3.29Å; A896-E898 PolarHBondContact O-N 3.31Å; E898-T900 PolarHBondContact O-N 3.31Å; E898-K901 PolarHBondContact O-N 3.17Å; E898-K901 IonicContact OE1-NZ 3.89Å; E898-K901 PolarHBondContact OE1-NZ 2.97Å; E898-R918 IonicContact OE2-CZ 2.7Å; E898-R918 IonicContact OE2-NH1 3.41Å; E898-R918 PolarHBondContact OE2-NH1 3.34Å; E898-R918 IonicContact OE2-NH2 3.48Å |
| 899 | K | 44.1 | Very low | 49.1 | Very low | 113 Ų | 113 | 73.4 Ų | 73.4 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -8.8 | -179.5 | -73.8 | -175.5 | 170.5 | -176.8 | 0 | 115.3 | L891 | L891-K899 HydrophobicContact CD2-CB 3.69Å; L891-K899 HydrophobicContact CD2-CD 3.88Å; L891-K899 HydrophobicContact CD2-CG 3.65Å; L891-K899 VanDerWaalsContact O-CE 3.32Å; L891-K899 WeakPolarHBondContact O-CE 3.34Å |
| 900 | T | 43.7 | Very low | 49.8 | Very low | 135 Ų | 135 | 70.7 Ų | 70.7 | 83% | 0.828 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -4.2 | 178.8 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | E898 | E898-T900 PolarHBondContact O-N 3.31Š|
| 901 | K | 48.4 | Very low | 50.3 | Low | 138 Ų | 138 | 70.9 Ų | 70.9 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -98.6 | 124.5 | -179.6 | -66.6 | -178 | -173.4 | 167.8 | 0 | 111.5 | E898 | E898-K901 PolarHBondContact O-N 3.17Å; E898-K901 IonicContact OE1-NZ 3.89Å; E898-K901 PolarHBondContact OE1-NZ 2.97Å |
| 902 | S | 50.9 | Low | 50.7 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.4 | 174.1 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | K884 | K884-S902 WeakPolarHBondContact CE-OG 3.4Š|
| 903 | L | 49.5 | Very low | 50.8 | Low | 50 Ų | 50 | 70.6 Ų | 70.6 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 146.8 | 169.5 | -88.1 | 90.9 | 0 | 0 | 0 | 111.3 | V894 D907 V911 | V894-L903 HydrophobicContact CG2-CD1 4.31Å; L903-D907 HydrophobicContact CD2-CB 3.9Å; L903-D907 HydrophobicContact CG-CB 4.42Å; L903-V911 HydrophobicContact CD2-CG2 4.48Å |
| 904 | S | 54.6 | Low | 51 | Low | 27 Ų | 27 | 72 Ų | 72 | 19% | 0.189 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 155.7 | 165.7 | 74.5 | 0 | 0 | 0 | 0 | 110.6 | V906 D907 L908 | S904-V906 PolarHBondContact O-N 3.31Å; S904-D907 PolarHBondContact O-N 3Å; S904-D907 PolarHBondContact OG-N 2.75Å; S904-D907 PolarHBondContact OG-OD2 3.03Å; S904-L908 PolarHBondContact O-N 3.31Å |
| 905 | A | 56.3 | Low | 51.2 | Low | 13 Ų | 13 | 76 Ų | 76 | 11% | 0.107 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -33.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | F881 V885 L908 M909 | F881-A905 HydrophobicContact CB-CB 3.9Å; F881-A905 HydrophobicContact CD1-CB 3.86Å; F881-A905 HydrophobicContact CG-CB 4.09Å; V885-A905 HydrophobicContact CG2-CB 4.47Å; A905-L908 WeakPolarHBondContact O-CB 3.48Å; A905-L908 PolarHBondContact O-N 3.07Å; A905-M909 PolarHBondContact O-N 2.79Å; A905-M909 VanDerWaalsContact O-N 3.07Å |
| 906 | V | 55.6 | Low | 51 | Low | 42 Ų | 42 | 75.3 Ų | 75.3 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -45 | 177 | -179 | 0 | 0 | 0 | 0 | 110.9 | S904 L908 M909 A910 | S904-V906 PolarHBondContact O-N 3.31Å; V906-L908 VanDerWaalsContact C-N 3.26Å; V906-L908 PolarHBondContact O-N 2.02Å; V906-M909 PolarHBondContact O-N 2.98Å; V906-A910 WeakPolarHBondContact O-CB 3.48Å; V906-A910 PolarHBondContact O-N 3.24Å |
| 907 | D | 57.1 | Low | 50.6 | Low | 18 Ų | 18 | 80.8 Ų | 80.8 | 10% | 0.096 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 175.8 | -66.1 | -50.1 | 0 | 0 | 0 | 111.2 | K717 L903 S904 A910 V911 | K717-D907 VanDerWaalsContact NZ-CG 3.29Å; K717-D907 IonicContact NZ-OD1 3.32Å; K717-D907 PolarHBondContact NZ-OD1 3.27Å; K717-D907 IonicContact NZ-OD2 3.36Å; K717-D907 PolarHBondContact NZ-OD2 3.21Å; L903-D907 HydrophobicContact CD2-CB 3.9Å; L903-D907 HydrophobicContact CG-CB 4.42Å; S904-D907 PolarHBondContact O-N 3Å; S904-D907 PolarHBondContact OG-N 2.75Å; S904-D907 PolarHBondContact OG-OD2 3.03Å; D907-A910 PolarHBondContact O-N 2.75Å; D907-V911 WeakPolarHBondContact O-CG2 3.29Å; D907-V911 PolarHBondContact O-N 3.32Å |
| 908 | L | 58.4 | Low | 50.1 | Low | 26 Ų | 26 | 78.1 Ų | 78.1 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 176.1 | -175.8 | 66.9 | 0 | 0 | 0 | 111.6 | V887 L890 S904 A905 V906 A910 V911 M912 | V887-L908 HydrophobicContact CG2-CD2 3.99Å; L890-L908 HydrophobicContact CD1-CD1 3.81Å; L890-L908 HydrophobicContact CD2-CD1 3.21Å; L890-L908 HydrophobicContact CG-CD1 4.14Å; S904-L908 PolarHBondContact O-N 3.31Å; A905-L908 WeakPolarHBondContact O-CB 3.48Å; A905-L908 PolarHBondContact O-N 3.07Å; V906-L908 VanDerWaalsContact C-N 3.26Å; V906-L908 PolarHBondContact O-N 2.02Å; L908-A910 VanDerWaalsContact C-N 3.34Å; L908-A910 PolarHBondContact O-N 2.75Å; L908-V911 PolarHBondContact O-N 3.35Å; L908-M912 HydrophobicContact CG-SD 4.19Å; L908-M912 WeakPolarHBondContact O-CG 3.46Å; L908-M912 PolarHBondContact O-N 3.17Å |
| 909 | M | 55.1 | Low | 49.4 | Very low | 87 Ų | 87 | 80.9 Ų | 80.9 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 176.9 | -71.1 | -157 | -73.4 | 0 | 0 | 112.6 | A905 V906 V911 M912 S913 | A905-M909 PolarHBondContact O-N 2.79Å; A905-M909 VanDerWaalsContact O-N 3.07Å; V906-M909 PolarHBondContact O-N 2.98Å; M909-V911 VanDerWaalsContact C-N 3.34Å; M909-M912 PolarHBondContact O-N 3.45Å; M909-S913 WeakPolarHBondContact O-CB 3.41Å; M909-S913 PolarHBondContact O-N 3.17Å; M909-S913 PolarHBondContact O-OG 2.88Å |
| 910 | A | 56 | Low | 48.7 | Very low | 3 Ų | 3 | 82.3 Ų | 82.3 | 3% | 0.025 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V906 D907 L908 S913 Y915 H916 | V906-A910 WeakPolarHBondContact O-CB 3.48Å; V906-A910 PolarHBondContact O-N 3.24Å; D907-A910 PolarHBondContact O-N 2.75Å; L908-A910 VanDerWaalsContact C-N 3.34Å; L908-A910 PolarHBondContact O-N 2.75Å; A910-S913 WeakPolarHBondContact CA-OG 3.44Å; A910-S913 PolarHBondContact O-OG 2.7Å; A910-Y915 WeakPolarHBondContact O-CB 3.5Å; A910-Y915 PolarHBondContact O-N 3.21Å; A910-H916 VanDerWaalsContact CB-CD2 3.46Å; A910-H916 WeakPolarHBondContact CB-CD2 3.49Å; A910-H916 PolarHBondContact O-N 3.11Å |
| 911 | V | 54.6 | Low | 48 | Very low | 43 Ų | 43 | 83 Ų | 83 | 26% | 0.261 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.4 | -45.5 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L903 D907 L908 M909 S913 N914 H916 | L903-V911 HydrophobicContact CD2-CG2 4.48Å; D907-V911 WeakPolarHBondContact O-CG2 3.29Å; D907-V911 PolarHBondContact O-N 3.32Å; L908-V911 PolarHBondContact O-N 3.35Å; M909-V911 VanDerWaalsContact C-N 3.34Å; V911-S913 PolarHBondContact O-N 2.98Å; V911-N914 WeakPolarHBondContact O-CA 3.45Å; V911-N914 PolarHBondContact O-N 3.29Å; V911-H916 HydrophobicContact CG2-CB 4.16Å |
| 912 | M | 51.5 | Low | 48 | Very low | 140 Ų | 140 | 80.2 Ų | 80.2 | 69% | 0.69 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.1 | -29.1 | 179.4 | -72.7 | -177.4 | 69.6 | 0 | 0 | 113.3 | L908 M909 N914 | L908-M912 HydrophobicContact CG-SD 4.19Å; L908-M912 WeakPolarHBondContact O-CG 3.46Å; L908-M912 PolarHBondContact O-N 3.17Å; M909-M912 PolarHBondContact O-N 3.45Å; M912-N914 PolarHBondContact O-N 3.11Å |
| 913 | S | 52.1 | Low | 47.8 | Very low | 49 Ų | 49 | 81.1 Ų | 81.1 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9.4 | 172.7 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | M909 A910 V911 Y915 | M909-S913 WeakPolarHBondContact O-CB 3.41Å; M909-S913 PolarHBondContact O-N 3.17Å; M909-S913 PolarHBondContact O-OG 2.88Å; A910-S913 WeakPolarHBondContact CA-OG 3.44Å; A910-S913 PolarHBondContact O-OG 2.7Å; V911-S913 PolarHBondContact O-N 2.98Å; S913-Y915 PolarHBondContact O-N 2.81Å; S913-Y915 VanDerWaalsContact O-N 3.17Å |
| 914 | N | 48.3 | Very low | 47.7 | Very low | 139 Ų | 139 | 82.8 Ų | 82.8 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 17.5 | -175.5 | -86.7 | -24.1 | 0 | 0 | 0 | 114.9 | V911 M912 | V911-N914 WeakPolarHBondContact O-CA 3.45Å; V911-N914 PolarHBondContact O-N 3.29Å; M912-N914 PolarHBondContact O-N 3.11Å |
| 915 | Y | 48.8 | Very low | 47.3 | Very low | 115 Ų | 115 | 86.1 Ų | 86.1 | 45% | 0.451 | 46% | 0.463 | S | S | . | . | trans | -84.4 | -41.3 | -171.6 | -115.5 | -90.9 | 0 | 0 | 0 | 113.4 | H711 A910 S913 K917 | H711-Y915 AromaticContact NE2-CE1 3.64Å; H711-Y915 AromaticContact NE2-CZ 3.69Å; A910-Y915 WeakPolarHBondContact O-CB 3.5Å; A910-Y915 PolarHBondContact O-N 3.21Å; S913-Y915 PolarHBondContact O-N 2.81Å; S913-Y915 VanDerWaalsContact O-N 3.17Å; Y915-K917 VanDerWaalsContact C-N 3.3Å; Y915-K917 PolarHBondContact O-N 3.24Å | ||
| 916 | H | 43.6 | Very low | 46.7 | Very low | 43 Ų | 43 | 90.6 Ų | 90.6 | 20% | 0.199 | 49% | 0.485 | C | S | . | . | trans | -77.1 | 84.1 | 165.5 | -76.1 | -43.6 | 0 | 0 | 0 | 109.3 | D719 A910 V911 R918 | D719-H916 IonicContact OD2-CE1 2.77Å; D719-H916 PolarHBondContact OD2-CE1 2.77Å; A910-H916 VanDerWaalsContact CB-CD2 3.46Å; A910-H916 WeakPolarHBondContact CB-CD2 3.49Å; A910-H916 PolarHBondContact O-N 3.11Å; V911-H916 HydrophobicContact CG2-CB 4.16Å; H916-R918 PolarHBondContact O-N 3.28Å | ||
| 917 | K | 43.8 | Very low | 46.2 | Very low | 195 Ų | 195 | 93.9 Ų | 93.9 | 85% | 0.848 | 50% | 0.501 | S | S | * | . | trans | -66.1 | 77 | 156.2 | -72.9 | -171.7 | -178.8 | -179 | 0 | 108.1 | Y915 S919 | Y915-K917 VanDerWaalsContact C-N 3.3Å; Y915-K917 PolarHBondContact O-N 3.24Å; K917-S919 PolarHBondContact O-N 3.13Å | ||
| 918 | R | 35.5 | Very low | 45.4 | Very low | 148 Ų | 148 | 99.3 Ų | 99.3 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | trans | -64.6 | 117.8 | 159.6 | -104.2 | -178.1 | 169.6 | -164.7 | -8.5 | 105 | E898 H916 I920 | E898-R918 IonicContact OE2-CZ 2.7Å; E898-R918 IonicContact OE2-NH1 3.41Å; E898-R918 PolarHBondContact OE2-NH1 3.34Å; E898-R918 IonicContact OE2-NH2 3.48Å; H916-R918 PolarHBondContact O-N 3.28Å; R918-I920 PolarHBondContact O-N 2.75Å | ||
| 919 | S | 30.3 | Very low | 44.4 | Very low | 110 Ų | 110 | 104.9 Ų | 104.9 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | trans | -50.6 | 110.8 | 168.3 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | K917 A921 | K917-S919 PolarHBondContact O-N 3.13Å; S919-A921 VanDerWaalsContact C-N 3.29Å; S919-A921 PolarHBondContact O-N 3.15Å | ||
| 920 | I | 29.4 | Very low | 43.5 | Very low | 144 Ų | 144 | 106.4 Ų | 106.4 | 74% | 0.738 | 57% | 0.571 | S | S | * | * | trans | -69.2 | 98.8 | 167.4 | -56.9 | 169.1 | 0 | 0 | 0 | 103.8 | R918 | R918-I920 PolarHBondContact O-N 2.75Š| ||
| 921 | A | 27.9 | Very low | 42.3 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 100% | 1.223 | 62% | 0.62 | S | S | * | * | trans | -80.1 | 0 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S919 | S919-A921 VanDerWaalsContact C-N 3.29Å; S919-A921 PolarHBondContact O-N 3.15Å |
Retrieved 921 of 921 residues in 312.4 ms
(Link to these results)