| 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 | 46.6 | Very low | 78 | Confident | 243 Ų | 243 | 73.8 Ų | 73.8 | 100% | 1.197 | 34% | 0.336 | S | S | * | . | 0 | 133.9 | 0 | -67 | 162.8 | 171.6 | 0 | 0 | 108.4 | |||||
| 2 | R | 55.9 | Low | 78.3 | Confident | 188 Ų | 188 | 71.5 Ų | 71.5 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 139.9 | 158.9 | -81 | -178 | 171.1 | -177.7 | -4.3 | 107.2 | S4 S61 | R2-S4 PolarHBondContact O-N 3.09Å; R2-S61 PolarHBondContact NH1-O 3.34Å |
| 3 | R | 64.4 | Low | 78.8 | Confident | 222 Ų | 222 | 72.5 Ų | 72.5 | 84% | 0.838 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 118.7 | 171.1 | -71.9 | 179.5 | -179.5 | 155.9 | -0.3 | 108.2 | ||
| 4 | S | 80.4 | Confident | 79.7 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 133.9 | 176 | 36.4 | 0 | 0 | 0 | 0 | 110.4 | R2 D91 S92 S93 L94 | R2-S4 PolarHBondContact O-N 3.09Å; S4-D91 WeakPolarHBondContact CB-O 3.42Å; S4-D91 PolarHBondContact OG-O 3.19Å; S4-S92 WeakPolarHBondContact OG-CA 3.29Å; S4-S93 PolarHBondContact N-OG 3.14Å; S4-S93 WeakPolarHBondContact O-CA 3.38Å; S4-S93 WeakPolarHBondContact O-CB 3.19Å; S4-S93 PolarHBondContact O-N 3.34Å; S4-S93 PolarHBondContact OG-N 3.42Å; S4-S93 PolarHBondContact OG-OG 3.12Å; S4-L94 PolarHBondContact O-N 2.67Å; S4-L94 VanDerWaalsContact O-N 3.14Å |
| 5 | V | 88.4 | Confident | 80.6 | Confident | 33 Ų | 33 | 64 Ų | 64 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.2 | 175.1 | -176 | 0 | 0 | 0 | 0 | 107.6 | I64 L94 F96 | V5-I64 HydrophobicContact CB-CG1 4.24Å; V5-I64 HydrophobicContact CB-CG2 4.14Å; V5-I64 HydrophobicContact CG1-CG2 4.12Å; V5-I64 HydrophobicContact CG2-CD1 4.04Å; V5-I64 HydrophobicContact CG2-CG1 4Å; V5-L94 WeakPolarHBondContact CA-O 3.35Å; V5-L94 HydrophobicContact CG1-CD2 4.33Å; V5-L94 HydrophobicContact CG1-CG 4.44Å; V5-L94 HydrophobicContact CG2-CB 4.35Å; V5-L94 HydrophobicContact CG2-CD2 4.43Å; V5-F96 HydrophobicContact CG1-CD2 3.99Å; V5-F96 HydrophobicContact CG1-CE2 3.74Å |
| 6 | S | 88.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.4 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | L88 K89 S92 L94 I95 F96 | S6-L88 WeakPolarHBondContact OG-CB 3.25Å; S6-K89 PolarHBondContact OG-N 3.02Å; S6-S92 WeakPolarHBondContact CB-OG 3.48Å; S6-L94 PolarHBondContact N-O 3.34Å; S6-I95 WeakPolarHBondContact O-CA 3.39Å; S6-F96 PolarHBondContact O-N 3.47Å |
| 7 | V | 90.1 | Very high | 82 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.2 | 175.4 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | G9 I67 S85 F96 | V7-G9 PolarHBondContact O-N 2.66Å; V7-I67 HydrophobicContact CB-CG1 4.24Å; V7-I67 HydrophobicContact CG1-CD1 3.76Å; V7-I67 HydrophobicContact CG1-CG1 3.63Å; V7-S85 WeakPolarHBondContact O-CB 3.46Å; V7-F96 HydrophobicContact CB-CB 4.44Å; V7-F96 HydrophobicContact CG1-CB 4.06Å; V7-F96 HydrophobicContact CG2-CB 4.23Å; V7-F96 HydrophobicContact CG2-CD2 4.27Å |
| 8 | V | 88.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | trans | -95.6 | 89.8 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | K89 I95 F96 M97 Y101 | V8-K89 HydrophobicContact CG2-CB 4.34Å; V8-K89 HydrophobicContact CG2-CD 4.2Å; V8-K89 HydrophobicContact CG2-CG 3.88Å; V8-I95 HydrophobicContact CG2-CG2 3.76Å; V8-F96 PolarHBondContact N-O 2.89Å; V8-M97 HydrophobicContact CB-CB 4.09Å; V8-Y101 HydrophobicContact CG1-CD1 3.98Å; V8-Y101 HydrophobicContact CG1-CE1 3.71Å | ||
| 9 | G | 83.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | trans | -80.2 | 160.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V7 | V7-G9 PolarHBondContact O-N 2.66Š| ||
| 10 | S | 84.8 | Confident | 82.3 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -79.7 | 165.9 | 174.3 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | D12 Q13 L14 | S10-D12 PolarHBondContact O-N 3.4Å; S10-D12 PolarHBondContact OG-N 2.71Å; S10-Q13 PolarHBondContact O-N 3.07Å; S10-Q13 VanDerWaalsContact O-N 3.17Å; S10-Q13 PolarHBondContact OG-OE1 3.13Å; S10-L14 PolarHBondContact O-N 3.25Å | ||
| 11 | R | 86 | Confident | 82.4 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.125 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.7 | 170 | -70.8 | 179.9 | -179.8 | 75.9 | 1.1 | 113.3 | Q13 C15 C33 Y82 Y111 | R11-Q13 VanDerWaalsContact C-N 3.32Å; R11-C15 WeakPolarHBondContact O-CB 3.49Å; R11-C33 PolarHBondContact NE-SG 3.27Å; R11-Y82 HydrophobicContact CG-CD1 4.23Å; R11-Y82 HydrophobicContact CG-CD2 3.77Å; R11-Y82 HydrophobicContact CG-CE1 4.19Å; R11-Y82 HydrophobicContact CG-CE2 3.71Å; R11-Y82 HydrophobicContact CG-CG 4.05Å; R11-Y82 PolarHBondContact NH1-OH 3.43Å; R11-Y82 PolarHBondContact NH2-OH 3.17Å; R11-Y111 PolarHBondContact NH1-OH 3.03Å |
| 12 | D | 81.7 | Confident | 84 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -29.5 | 174.7 | -63.8 | -45.1 | 0 | 0 | 0 | 112.7 | S10 N26 K29 | S10-D12 PolarHBondContact O-N 3.4Å; S10-D12 PolarHBondContact OG-N 2.71Å; D12-N26 PolarHBondContact OD1-OD1 3.25Å; D12-N26 PolarHBondContact OD2-ND2 3.15Å; D12-N26 PolarHBondContact OD2-OD1 2.83Å; D12-K29 VanDerWaalsContact OD1-CD 3.23Å; D12-K29 WeakPolarHBondContact OD1-CD 3.33Å; D12-K29 WeakPolarHBondContact OD1-CE 3.4Å; D12-K29 IonicContact OD1-NZ 1.83Å; D12-K29 PolarHBondContact OD1-NZ 2.99Å |
| 13 | Q | 84.6 | Confident | 84.9 | Confident | 85 Ų | 85 | 46.7 Ų | 46.7 | 40% | 0.397 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -36.8 | -175.4 | -65.7 | 156.2 | -68.6 | 0 | 0 | 111.6 | S10 R11 I67 | S10-Q13 PolarHBondContact O-N 3.07Å; S10-Q13 VanDerWaalsContact O-N 3.17Å; S10-Q13 PolarHBondContact OG-OE1 3.13Å; R11-Q13 VanDerWaalsContact C-N 3.32Å; Q13-I67 HydrophobicContact CB-CG2 3.89Å |
| 14 | L | 91.5 | Very high | 85 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -109.4 | 16.2 | -167.6 | -65.8 | -177.4 | 0 | 0 | 0 | 114.4 | S10 I67 L70 P81 Y82 S85 | S10-L14 PolarHBondContact O-N 3.25Å; L14-I67 HydrophobicContact CD2-CB 4.48Å; L14-I67 HydrophobicContact CD2-CG2 3.9Å; L14-L70 HydrophobicContact CD2-CB 4.28Å; L14-P81 HydrophobicContact CB-CB 4.04Å; L14-P81 HydrophobicContact CD2-CB 3.81Å; L14-P81 HydrophobicContact CG-CB 4.43Å; L14-P81 WeakPolarHBondContact O-CD 3.45Å; L14-Y82 WeakPolarHBondContact O-CB 3.44Å; L14-Y82 PolarHBondContact O-N 3.03Å; L14-S85 VanDerWaalsContact CD1-OG 3.32Å; L14-S85 WeakPolarHBondContact CD1-OG 3.24Å |
| 15 | C | 93.3 | Very high | 84.2 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | trans | -106.5 | 122.5 | 175.4 | -162.8 | 0 | 0 | 0 | 0 | 112 | R11 T21 | R11-C15 WeakPolarHBondContact O-CB 3.49Å; C15-T21 PolarHBondContact O-OG1 2.96Å | ||
| 16 | L | 93.2 | Very high | 83.3 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | trans | -98.9 | 1.7 | -176.1 | -58.2 | 179.2 | 0 | 0 | 0 | 114.1 | P18 Y44 G74 Q75 P81 | L16-P18 WeakPolarHBondContact O-CD 3.48Å; L16-Y44 HydrophobicContact CB-CD1 4.04Å; L16-Y44 HydrophobicContact CB-CD2 4.48Å; L16-Y44 HydrophobicContact CB-CE1 3.65Å; L16-Y44 HydrophobicContact CB-CE2 4.14Å; L16-Y44 HydrophobicContact CB-CG 4.44Å; L16-Y44 HydrophobicContact CD1-CD1 3.85Å; L16-Y44 HydrophobicContact CD1-CE1 3.59Å; L16-Y44 HydrophobicContact CG-CE1 4.28Å; L16-G74 VanDerWaalsContact CD1-C 3.49Å; L16-Q75 HydrophobicContact CD1-CB 4.06Å; L16-P81 HydrophobicContact CD1-CG 3.68Å; L16-P81 HydrophobicContact CD2-CG 4.41Å; L16-P81 HydrophobicContact CG-CG 3.9Å | ||
| 17 | L | 91.3 | Very high | 82.1 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | trans | -87.3 | 114.7 | 177.8 | -78.9 | 175.7 | 0 | 0 | 0 | 110.7 | D19 V20 T21 C42 Y44 | L17-D19 VanDerWaalsContact C-N 3.32Å; L17-D19 PolarHBondContact O-N 2.88Å; L17-V20 HydrophobicContact CB-CB 4.22Å; L17-V20 HydrophobicContact CB-CG2 3.91Å; L17-V20 HydrophobicContact CD1-CG2 4.15Å; L17-V20 PolarHBondContact O-N 3.46Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.11Å; L17-C42 HydrophobicContact CD1-CB 4.26Å; L17-Y44 HydrophobicContact CD2-CD2 3.82Å; L17-Y44 HydrophobicContact CD2-CE2 3.89Å; L17-Y44 HydrophobicContact CG-CD2 3.96Å; L17-Y44 HydrophobicContact CG-CE2 4.28Å | ||
| 18 | P | 86.9 | Confident | 80.9 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.9 | -44.1 | -177.2 | -27.5 | 36.3 | 0 | 0 | 0 | 113.5 | L16 V20 T21 S22 | L16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-V20 PolarHBondContact O-N 2.68Å; P18-V20 VanDerWaalsContact O-N 3.11Å; P18-T21 PolarHBondContact O-N 3.23Å; P18-S22 VanDerWaalsContact O-CB 3.24Å; P18-S22 WeakPolarHBondContact O-CB 3.31Å; P18-S22 PolarHBondContact O-N 3Å; P18-S22 PolarHBondContact O-OG 3.16Å |
| 19 | D | 83.3 | Confident | 80.3 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.1 | -20.8 | 175.3 | -60.8 | 23.5 | 0 | 0 | 0 | 115.3 | L17 R36 | L17-D19 VanDerWaalsContact C-N 3.32Å; L17-D19 PolarHBondContact O-N 2.88Å; D19-R36 IonicContact OD2-CZ 2.9Å; D19-R36 IonicContact OD2-NH1 3.14Å; D19-R36 IonicContact OD2-NH2 3.22Å; D19-R36 PolarHBondContact OD2-NH2 3.44Å |
| 20 | V | 82.8 | Confident | 80 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -98.4 | -46.4 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 109 | L17 P18 S22 L23 K29 A32 | L17-V20 HydrophobicContact CB-CB 4.22Å; L17-V20 HydrophobicContact CB-CG2 3.91Å; L17-V20 HydrophobicContact CD1-CG2 4.15Å; L17-V20 PolarHBondContact O-N 3.46Å; P18-V20 PolarHBondContact O-N 2.68Å; P18-V20 VanDerWaalsContact O-N 3.11Å; V20-S22 VanDerWaalsContact C-N 3.25Å; V20-S22 PolarHBondContact O-N 3.43Å; V20-L23 WeakPolarHBondContact O-CB 3.31Å; V20-L23 WeakPolarHBondContact O-CG 3.48Å; V20-L23 PolarHBondContact O-N 3.25Å; V20-L23 VanDerWaalsContact O-N 3.15Å; V20-K29 HydrophobicContact CG1-CB 4.1Å; V20-K29 HydrophobicContact CG1-CG 4.34Å; V20-K29 WeakPolarHBondContact O-CG 3.13Å; V20-A32 HydrophobicContact CG2-CB 4.35Å |
| 21 | T | 84.8 | Confident | 79.2 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -29 | -176.8 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | C15 L17 P18 L23 | C15-T21 PolarHBondContact O-OG1 2.96Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.11Å; P18-T21 PolarHBondContact O-N 3.23Å; T21-L23 VanDerWaalsContact C-N 3.35Å |
| 22 | S | 79.8 | Confident | 78.7 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.2 | 175 | 56 | 0 | 0 | 0 | 0 | 115.6 | P18 V20 E24 | P18-S22 VanDerWaalsContact O-CB 3.24Å; P18-S22 WeakPolarHBondContact O-CB 3.31Å; P18-S22 PolarHBondContact O-N 3Å; P18-S22 PolarHBondContact O-OG 3.16Å; V20-S22 VanDerWaalsContact C-N 3.25Å; V20-S22 PolarHBondContact O-N 3.43Å; S22-E24 PolarHBondContact O-N 3.29Å |
| 23 | L | 74.2 | Confident | 78.9 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | trans | -71.8 | 127 | 177.7 | -58.5 | 171.9 | 0 | 0 | 0 | 110 | V20 T21 S25 A28 K29 A32 | V20-L23 WeakPolarHBondContact O-CB 3.31Å; V20-L23 WeakPolarHBondContact O-CG 3.48Å; V20-L23 PolarHBondContact O-N 3.25Å; V20-L23 VanDerWaalsContact O-N 3.15Å; T21-L23 VanDerWaalsContact C-N 3.35Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.28Å; L23-A28 HydrophobicContact CB-CB 4.38Å; L23-A28 HydrophobicContact CD1-CB 4.25Å; L23-K29 HydrophobicContact CB-CG 4.01Å; L23-K29 WeakPolarHBondContact O-CE 3.49Å; L23-A32 HydrophobicContact CD1-CB 3.76Å | ||
| 24 | E | 66.9 | Low | 78.7 | Confident | 168 Ų | 168 | 52.8 Ų | 52.8 | 79% | 0.785 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -64.5 | -31.8 | -177.1 | -62.9 | -172.1 | 167.5 | 0 | 0 | 114 | S22 | S22-E24 PolarHBondContact O-N 3.29Š|
| 25 | S | 64.2 | Low | 77.8 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -100.3 | 126.9 | -171.2 | -177.7 | 0 | 0 | 0 | 0 | 112.9 | L23 S27 A28 K29 | L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.28Å; S25-S27 PolarHBondContact O-N 3.1Å; S25-S27 PolarHBondContact OG-N 3.35Å; S25-A28 WeakPolarHBondContact O-CA 3.43Å; S25-A28 WeakPolarHBondContact O-CB 3.3Å; S25-A28 PolarHBondContact O-N 3.43Å; S25-K29 PolarHBondContact O-N 2.93Å | ||
| 26 | N | 67.7 | Low | 77.3 | Confident | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.2 | -37.1 | 174.2 | -68.8 | 30.4 | 0 | 0 | 0 | 112.6 | D12 A28 K29 I30 | D12-N26 PolarHBondContact OD1-OD1 3.25Å; D12-N26 PolarHBondContact OD2-ND2 3.15Å; D12-N26 PolarHBondContact OD2-OD1 2.83Å; N26-A28 VanDerWaalsContact C-N 3.33Å; N26-A28 PolarHBondContact O-N 2.72Å; N26-K29 PolarHBondContact O-N 2.6Å; N26-I30 WeakPolarHBondContact O-CD1 3.45Å; N26-I30 VanDerWaalsContact O-CG1 3.24Å; N26-I30 WeakPolarHBondContact O-CG1 3.05Å; N26-I30 PolarHBondContact O-N 3.49Å |
| 27 | S | 63.5 | Low | 76.9 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.4 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | S25 I30 Y31 K285 | S25-S27 PolarHBondContact O-N 3.1Å; S25-S27 PolarHBondContact OG-N 3.35Å; S27-I30 PolarHBondContact O-N 3.14Å; S27-Y31 WeakPolarHBondContact O-CB 3.32Å; S27-Y31 PolarHBondContact O-N 3.25Å; S27-K285 PolarHBondContact OG-NZ 3.16Å |
| 28 | A | 65.1 | Low | 76.3 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L23 S25 N26 Y31 A32 | L23-A28 HydrophobicContact CB-CB 4.38Å; L23-A28 HydrophobicContact CD1-CB 4.25Å; S25-A28 WeakPolarHBondContact O-CA 3.43Å; S25-A28 WeakPolarHBondContact O-CB 3.3Å; S25-A28 PolarHBondContact O-N 3.43Å; N26-A28 VanDerWaalsContact C-N 3.33Å; N26-A28 PolarHBondContact O-N 2.72Å; A28-Y31 PolarHBondContact O-N 3.04Å; A28-A32 VanDerWaalsContact O-CB 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.21Å |
| 29 | K | 77.8 | Confident | 75.9 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 172.8 | -63.3 | -170.3 | -168.9 | 172.2 | 0 | 112.7 | D12 V20 L23 S25 N26 Y31 C33 | D12-K29 VanDerWaalsContact OD1-CD 3.23Å; D12-K29 WeakPolarHBondContact OD1-CD 3.33Å; D12-K29 WeakPolarHBondContact OD1-CE 3.4Å; D12-K29 IonicContact OD1-NZ 1.83Å; D12-K29 PolarHBondContact OD1-NZ 2.99Å; V20-K29 HydrophobicContact CG1-CB 4.1Å; V20-K29 HydrophobicContact CG1-CG 4.34Å; V20-K29 WeakPolarHBondContact O-CG 3.13Å; L23-K29 HydrophobicContact CB-CG 4.01Å; L23-K29 WeakPolarHBondContact O-CE 3.49Å; S25-K29 PolarHBondContact O-N 2.93Å; N26-K29 PolarHBondContact O-N 2.6Å; K29-Y31 VanDerWaalsContact C-N 3.34Å; K29-C33 WeakPolarHBondContact O-CB 3.26Å; K29-C33 PolarHBondContact O-N 2.79Å |
| 30 | I | 76.2 | Confident | 76.1 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.4 | -68.8 | 162.6 | 0 | 0 | 0 | 109.9 | N26 S27 R34 | N26-I30 WeakPolarHBondContact O-CD1 3.45Å; N26-I30 VanDerWaalsContact O-CG1 3.24Å; N26-I30 WeakPolarHBondContact O-CG1 3.05Å; N26-I30 PolarHBondContact O-N 3.49Å; S27-I30 PolarHBondContact O-N 3.14Å; I30-R34 WeakPolarHBondContact O-CB 3.47Å; I30-R34 WeakPolarHBondContact O-CG 3.31Å; I30-R34 PolarHBondContact O-N 2.97Å |
| 31 | Y | 68.4 | Low | 76.3 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -54.2 | 177.5 | -179.8 | -100.9 | 0 | 0 | 0 | 112.6 | S27 A28 K29 C33 R34 M35 R282 | S27-Y31 WeakPolarHBondContact O-CB 3.32Å; S27-Y31 PolarHBondContact O-N 3.25Å; A28-Y31 PolarHBondContact O-N 3.04Å; K29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-C33 VanDerWaalsContact C-N 3.26Å; Y31-C33 PolarHBondContact O-N 2.89Å; Y31-R34 PolarHBondContact O-N 3.35Å; Y31-R34 VanDerWaalsContact O-N 3.11Å; Y31-M35 HydrophobicContact CD1-CG 4.31Å; Y31-M35 HydrophobicContact CD2-CG 4.37Å; Y31-M35 HydrophobicContact CE1-CG 3.67Å; Y31-M35 HydrophobicContact CE2-CG 3.73Å; Y31-M35 HydrophobicContact CE2-SD 3.85Å; Y31-M35 PolarHBondContact O-N 2.86Å; Y31-M35 VanDerWaalsContact OH-CG 3.28Å; Y31-M35 WeakPolarHBondContact OH-CG 3.29Å; Y31-M35 PolarHBondContact OH-SD 3.46Å; Y31-R282 HydrophobicContact CE1-CB 4.49Å; Y31-R282 WeakPolarHBondContact OH-CB 3.36Å; Y31-R282 WeakPolarHBondContact OH-CG 3.47Å; Y31-R282 PolarHBondContact OH-O 3.43Å |
| 32 | A | 74.8 | Confident | 76.7 | Confident | 18 Ų | 18 | 60 Ų | 60 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -34.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V20 L23 A28 R36 | V20-A32 HydrophobicContact CG2-CB 4.35Å; L23-A32 HydrophobicContact CD1-CB 3.76Å; A28-A32 VanDerWaalsContact O-CB 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.21Å; A32-R36 WeakPolarHBondContact O-CB 3.26Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 2.97Å; A32-R36 VanDerWaalsContact O-N 3.15Å |
| 33 | C | 86.5 | Confident | 77.3 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 10% | 0.095 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -49 | 171.7 | 176.2 | 0 | 0 | 0 | 0 | 112 | R11 K29 Y31 M35 R36 V37 | R11-C33 PolarHBondContact NE-SG 3.27Å; K29-C33 WeakPolarHBondContact O-CB 3.26Å; K29-C33 PolarHBondContact O-N 2.79Å; Y31-C33 VanDerWaalsContact C-N 3.26Å; Y31-C33 PolarHBondContact O-N 2.89Å; C33-M35 PolarHBondContact O-N 3.16Å; C33-R36 PolarHBondContact O-N 2.89Å; C33-V37 WeakPolarHBondContact O-CB 3.27Å; C33-V37 VanDerWaalsContact O-CG2 3.22Å; C33-V37 WeakPolarHBondContact O-CG2 3.23Å; C33-V37 PolarHBondContact O-N 3.35Å |
| 34 | R | 80.2 | Confident | 78.3 | Confident | 87 Ų | 87 | 58.1 Ų | 58.1 | 33% | 0.328 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.6 | -53.6 | 176.2 | -80.5 | 176.4 | 170.1 | 164 | -3.3 | 110.8 | I30 Y31 R36 V37 Q38 | I30-R34 WeakPolarHBondContact O-CB 3.47Å; I30-R34 WeakPolarHBondContact O-CG 3.31Å; I30-R34 PolarHBondContact O-N 2.97Å; Y31-R34 PolarHBondContact O-N 3.35Å; Y31-R34 VanDerWaalsContact O-N 3.11Å; R34-R36 PolarHBondContact O-N 3.3Å; R34-V37 WeakPolarHBondContact O-CB 3.25Å; R34-V37 PolarHBondContact O-N 3.35Å; R34-V37 VanDerWaalsContact O-N 3.14Å; R34-Q38 WeakPolarHBondContact O-CG 3.39Å; R34-Q38 PolarHBondContact O-N 3.33Å; R34-Q38 PolarHBondContact O-OE1 3.09Å; R34-Q38 VanDerWaalsContact O-OE1 3.08Å |
| 35 | M | 72.7 | Confident | 79.7 | Confident | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -43.8 | -179.9 | -67.1 | -53.1 | -62.1 | 0 | 0 | 113.5 | Y31 C33 V37 Q38 T39 | Y31-M35 HydrophobicContact CD1-CG 4.31Å; Y31-M35 HydrophobicContact CD2-CG 4.37Å; Y31-M35 HydrophobicContact CE1-CG 3.67Å; Y31-M35 HydrophobicContact CE2-CG 3.73Å; Y31-M35 HydrophobicContact CE2-SD 3.85Å; Y31-M35 PolarHBondContact O-N 2.86Å; Y31-M35 VanDerWaalsContact OH-CG 3.28Å; Y31-M35 WeakPolarHBondContact OH-CG 3.29Å; Y31-M35 PolarHBondContact OH-SD 3.46Å; C33-M35 PolarHBondContact O-N 3.16Å; M35-V37 VanDerWaalsContact C-N 3.31Å; M35-V37 PolarHBondContact O-N 3.34Å; M35-Q38 PolarHBondContact O-N 2.97Å; M35-T39 WeakPolarHBondContact O-CB 3.49Å; M35-T39 WeakPolarHBondContact O-CG2 3.38Å; M35-T39 PolarHBondContact O-N 2.9Å; M35-T39 PolarHBondContact O-OG1 3.44Å |
| 36 | R | 82.7 | Confident | 81.1 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.6 | -21.3 | -179.8 | -73.6 | -179.1 | 153 | 141.1 | -10.2 | 114 | D19 A32 C33 R34 T41 C42 | D19-R36 IonicContact OD2-CZ 2.9Å; D19-R36 IonicContact OD2-NH1 3.14Å; D19-R36 IonicContact OD2-NH2 3.22Å; D19-R36 PolarHBondContact OD2-NH2 3.44Å; A32-R36 WeakPolarHBondContact O-CB 3.26Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 2.97Å; A32-R36 VanDerWaalsContact O-N 3.15Å; C33-R36 PolarHBondContact O-N 2.89Å; R34-R36 PolarHBondContact O-N 3.3Å; R36-T41 WeakPolarHBondContact CA-OG1 3.39Å; R36-T41 PolarHBondContact O-N 2.83Å; R36-T41 VanDerWaalsContact O-N 3.07Å; R36-T41 PolarHBondContact O-OG1 3.16Å; R36-C42 HydrophobicContact CB-CB 3.99Å; R36-C42 WeakPolarHBondContact O-CB 3.4Å; R36-C42 PolarHBondContact O-N 3.02Å |
| 37 | V | 86.3 | Confident | 82.3 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77.5 | -49.8 | 170.7 | 166.7 | 0 | 0 | 0 | 0 | 110 | C33 R34 M35 R40 F45 F83 | C33-V37 WeakPolarHBondContact O-CB 3.27Å; C33-V37 VanDerWaalsContact O-CG2 3.22Å; C33-V37 WeakPolarHBondContact O-CG2 3.23Å; C33-V37 PolarHBondContact O-N 3.35Å; R34-V37 WeakPolarHBondContact O-CB 3.25Å; R34-V37 PolarHBondContact O-N 3.35Å; R34-V37 VanDerWaalsContact O-N 3.14Å; M35-V37 VanDerWaalsContact C-N 3.31Å; M35-V37 PolarHBondContact O-N 3.34Å; V37-R40 WeakPolarHBondContact O-CA 3.47Å; V37-R40 PolarHBondContact O-N 3.49Å; V37-F45 HydrophobicContact CB-CD1 4.33Å; V37-F45 HydrophobicContact CG1-CD1 4Å; V37-F45 HydrophobicContact CG1-CD2 4.4Å; V37-F45 HydrophobicContact CG1-CE1 3.77Å; V37-F45 HydrophobicContact CG1-CE2 4.18Å; V37-F45 HydrophobicContact CG1-CG 4.32Å; V37-F45 HydrophobicContact CG1-CZ 3.87Å; V37-F45 HydrophobicContact CG2-CB 4.23Å; V37-F45 HydrophobicContact CG2-CD1 4.2Å; V37-F45 HydrophobicContact CG2-CD2 4.22Å; V37-F45 HydrophobicContact CG2-CG 3.92Å; V37-F83 HydrophobicContact CG1-CZ 4.06Å; V37-F83 HydrophobicContact CG2-CE2 3.65Å; V37-F83 HydrophobicContact CG2-CZ 3.77Å |
| 38 | Q | 77.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 180 | -73.8 | 162.3 | -55.3 | 0 | 0 | 111.9 | R34 M35 R40 | R34-Q38 WeakPolarHBondContact O-CG 3.39Å; R34-Q38 PolarHBondContact O-N 3.33Å; R34-Q38 PolarHBondContact O-OE1 3.09Å; R34-Q38 VanDerWaalsContact O-OE1 3.08Å; M35-Q38 PolarHBondContact O-N 2.97Å; Q38-R40 PolarHBondContact O-N 2.96Å |
| 39 | T | 79.4 | Confident | 85 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 1.8 | 174.9 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | M35 T41 | M35-T39 WeakPolarHBondContact O-CB 3.49Å; M35-T39 WeakPolarHBondContact O-CG2 3.38Å; M35-T39 PolarHBondContact O-N 2.9Å; M35-T39 PolarHBondContact O-OG1 3.44Å; T39-T41 PolarHBondContact O-N 2.81Å; T39-T41 PolarHBondContact OG1-OG1 2.58Å |
| 40 | R | 86 | Confident | 85.6 | Confident | 121 Ų | 121 | 54 Ų | 54 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 23.2 | -176.4 | -55.7 | -177.5 | 71.6 | 90.7 | 2 | 114.8 | V37 Q38 D49 | V37-R40 WeakPolarHBondContact O-CA 3.47Å; V37-R40 PolarHBondContact O-N 3.49Å; Q38-R40 PolarHBondContact O-N 2.96Å; R40-D49 IonicContact CZ-OD2 3.42Å; R40-D49 VanDerWaalsContact CZ-OD2 3.3Å; R40-D49 IonicContact NH1-OD2 2.62Å; R40-D49 PolarHBondContact NH1-OD2 3.32Å; R40-D49 IonicContact NH2-OD2 2.69Å; R40-D49 PolarHBondContact NH2-OD2 3.39Å |
| 41 | T | 88 | Confident | 86.3 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | trans | -81.3 | -17.7 | 178.8 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | R36 T39 E43 | R36-T41 WeakPolarHBondContact CA-OG1 3.39Å; R36-T41 PolarHBondContact O-N 2.83Å; R36-T41 VanDerWaalsContact O-N 3.07Å; R36-T41 PolarHBondContact O-OG1 3.16Å; T39-T41 PolarHBondContact O-N 2.81Å; T39-T41 PolarHBondContact OG1-OG1 2.58Å; T41-E43 PolarHBondContact O-N 3.5Å | ||
| 42 | C | 92.7 | Very high | 87.3 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | trans | -72.3 | 106.4 | 173.3 | 180 | 0 | 0 | 0 | 0 | 111.4 | L17 R36 Y44 F45 R46 | L17-C42 HydrophobicContact CD1-CB 4.26Å; R36-C42 HydrophobicContact CB-CB 3.99Å; R36-C42 WeakPolarHBondContact O-CB 3.4Å; R36-C42 PolarHBondContact O-N 3.02Å; C42-Y44 PolarHBondContact O-N 2.96Å; C42-F45 HydrophobicContact CB-CB 3.82Å; C42-F45 PolarHBondContact O-N 2.89Å; C42-F45 PolarHBondContact SG-N 3.28Å; C42-R46 PolarHBondContact O-N 3.06Å | ||
| 43 | E | 93.3 | Very high | 87.9 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -52.4 | -52.2 | 175.8 | -171.4 | -167.8 | 153.3 | 0 | 0 | 111.6 | T41 F45 R46 N47 K78 | T41-E43 PolarHBondContact O-N 3.5Å; E43-F45 VanDerWaalsContact C-N 3.28Å; E43-F45 PolarHBondContact O-N 3.11Å; E43-R46 PolarHBondContact O-N 3.44Å; E43-N47 WeakPolarHBondContact O-CB 3.11Å; E43-N47 PolarHBondContact O-N 3.04Å; E43-N47 PolarHBondContact O-OD1 3.41Å; E43-N47 PolarHBondContact OE1-ND2 3.12Å; E43-K78 WeakPolarHBondContact OE1-CE 3.12Å; E43-K78 IonicContact OE1-NZ 2.69Å; E43-K78 PolarHBondContact OE1-NZ 2.9Å; E43-K78 IonicContact OE2-NZ 3.65Å; E43-K78 PolarHBondContact OE2-NZ 3.41Å |
| 44 | Y | 95.6 | Very high | 88.1 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -36.8 | -179.6 | -66.9 | -89.9 | 0 | 0 | 0 | 113.5 | L16 L17 C42 F48 C79 C80 | L16-Y44 HydrophobicContact CB-CD1 4.04Å; L16-Y44 HydrophobicContact CB-CD2 4.48Å; L16-Y44 HydrophobicContact CB-CE1 3.65Å; L16-Y44 HydrophobicContact CB-CE2 4.14Å; L16-Y44 HydrophobicContact CB-CG 4.44Å; L16-Y44 HydrophobicContact CD1-CD1 3.85Å; L16-Y44 HydrophobicContact CD1-CE1 3.59Å; L16-Y44 HydrophobicContact CG-CE1 4.28Å; L17-Y44 HydrophobicContact CD2-CD2 3.82Å; L17-Y44 HydrophobicContact CD2-CE2 3.89Å; L17-Y44 HydrophobicContact CG-CD2 3.96Å; L17-Y44 HydrophobicContact CG-CE2 4.28Å; C42-Y44 PolarHBondContact O-N 2.96Å; Y44-F48 WeakPolarHBondContact O-CB 3.38Å; Y44-F48 PolarHBondContact O-N 2.76Å; Y44-C79 CarbonylContact O-C 3.56Å; Y44-C79 WeakPolarHBondContact O-CA 3.48Å; Y44-C80 WeakPolarHBondContact O-CB 3.31Å; Y44-C80 PolarHBondContact O-N 3.23Å |
| 45 | F | 94.4 | Very high | 88.4 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.8 | -46.3 | 177 | 173.4 | -104.9 | 0 | 0 | 0 | 110.8 | V37 C42 E43 N47 F48 D49 F83 | V37-F45 HydrophobicContact CB-CD1 4.33Å; V37-F45 HydrophobicContact CG1-CD1 4Å; V37-F45 HydrophobicContact CG1-CD2 4.4Å; V37-F45 HydrophobicContact CG1-CE1 3.77Å; V37-F45 HydrophobicContact CG1-CE2 4.18Å; V37-F45 HydrophobicContact CG1-CG 4.32Å; V37-F45 HydrophobicContact CG1-CZ 3.87Å; V37-F45 HydrophobicContact CG2-CB 4.23Å; V37-F45 HydrophobicContact CG2-CD1 4.2Å; V37-F45 HydrophobicContact CG2-CD2 4.22Å; V37-F45 HydrophobicContact CG2-CG 3.92Å; C42-F45 HydrophobicContact CB-CB 3.82Å; C42-F45 PolarHBondContact O-N 2.89Å; C42-F45 PolarHBondContact SG-N 3.28Å; E43-F45 VanDerWaalsContact C-N 3.28Å; E43-F45 PolarHBondContact O-N 3.11Å; F45-N47 VanDerWaalsContact C-N 3.33Å; F45-N47 PolarHBondContact O-N 2.95Å; F45-F48 WeakPolarHBondContact O-CB 3.42Å; F45-F48 PolarHBondContact O-N 2.94Å; F45-F48 VanDerWaalsContact O-N 3.17Å; F45-D49 HydrophobicContact CE1-CB 4.42Å; F45-D49 HydrophobicContact CZ-CB 4.3Å; F45-D49 WeakPolarHBondContact O-CB 3Å; F45-D49 PolarHBondContact O-N 3.23Å; F45-F83 HydrophobicContact CD2-CB 4.46Å; F45-F83 HydrophobicContact CD2-CD1 4.06Å; F45-F83 AromaticContact CD2-CD2 3.62Å; F45-F83 HydrophobicContact CD2-CD2 3.62Å; F45-F83 HydrophobicContact CD2-CE1 4.18Å; F45-F83 AromaticContact CD2-CE2 3.76Å; F45-F83 HydrophobicContact CD2-CE2 3.76Å; F45-F83 AromaticContact CD2-CG 3.78Å; F45-F83 HydrophobicContact CD2-CG 3.78Å; F45-F83 HydrophobicContact CD2-CZ 4.04Å; F45-F83 AromaticContact CE2-CD1 3.78Å; F45-F83 HydrophobicContact CE2-CD1 3.78Å; F45-F83 HydrophobicContact CE2-CD2 4.2Å; F45-F83 AromaticContact CE2-CE1 3.81Å; F45-F83 HydrophobicContact CE2-CE1 3.81Å; F45-F83 HydrophobicContact CE2-CE2 4.24Å; F45-F83 AromaticContact CE2-CG 3.98Å; F45-F83 HydrophobicContact CE2-CG 3.98Å; F45-F83 HydrophobicContact CE2-CZ 4.05Å |
| 46 | R | 93.8 | Very high | 89.1 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 178.1 | -178.1 | 177.7 | 64.3 | -136.1 | 2.5 | 111.8 | C42 E43 F48 D49 S50 | C42-R46 PolarHBondContact O-N 3.06Å; E43-R46 PolarHBondContact O-N 3.44Å; R46-F48 VanDerWaalsContact C-N 3.33Å; R46-F48 PolarHBondContact O-N 3.23Å; R46-D49 PolarHBondContact O-N 3.11Å; R46-S50 WeakPolarHBondContact O-CB 3.47Å; R46-S50 PolarHBondContact O-N 2.94Å; R46-S50 PolarHBondContact O-OG 3.5Å |
| 47 | N | 93.1 | Very high | 89.3 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 178.1 | -64.9 | -5.9 | 0 | 0 | 0 | 111.8 | E43 F45 K51 K78 C79 | E43-N47 WeakPolarHBondContact O-CB 3.11Å; E43-N47 PolarHBondContact O-N 3.04Å; E43-N47 PolarHBondContact O-OD1 3.41Å; E43-N47 PolarHBondContact OE1-ND2 3.12Å; F45-N47 VanDerWaalsContact C-N 3.33Å; F45-N47 PolarHBondContact O-N 2.95Å; N47-K51 WeakPolarHBondContact O-CB 3.44Å; N47-K51 PolarHBondContact O-N 3.22Å; N47-K78 VanDerWaalsContact CB-O 3.31Å; N47-K78 WeakPolarHBondContact CB-O 3.38Å; N47-K78 PolarHBondContact ND2-O 2.84Å; N47-C79 VanDerWaalsContact C-SG 3.59Å |
| 48 | F | 93.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 172.4 | 169.4 | -105.2 | 0 | 0 | 0 | 111.8 | Y44 F45 R46 S50 K51 R52 I55 C79 F83 I84 E87 | Y44-F48 WeakPolarHBondContact O-CB 3.38Å; Y44-F48 PolarHBondContact O-N 2.76Å; F45-F48 WeakPolarHBondContact O-CB 3.42Å; F45-F48 PolarHBondContact O-N 2.94Å; F45-F48 VanDerWaalsContact O-N 3.17Å; R46-F48 VanDerWaalsContact C-N 3.33Å; R46-F48 PolarHBondContact O-N 3.23Å; F48-S50 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 3.28Å; F48-K51 CarbonylContact O-C 3.5Å; F48-K51 PolarHBondContact O-N 3.13Å; F48-R52 HydrophobicContact CZ-CG 4.28Å; F48-R52 VanDerWaalsContact O-CA 3.31Å; F48-R52 WeakPolarHBondContact O-CA 3.5Å; F48-R52 PolarHBondContact O-N 3.24Å; F48-I55 HydrophobicContact CD2-CD1 4.03Å; F48-I55 HydrophobicContact CD2-CG2 4.46Å; F48-C79 HydrophobicContact CB-CB 4.15Å; F48-F83 HydrophobicContact CD1-CB 3.67Å; F48-F83 HydrophobicContact CE1-CB 3.66Å; F48-F83 HydrophobicContact CG-CB 4.42Å; F48-F83 HydrophobicContact CZ-CB 4.4Å; F48-I84 HydrophobicContact CD2-CD1 4.22Å; F48-I84 HydrophobicContact CD2-CG1 3.38Å; F48-I84 HydrophobicContact CE2-CB 4.27Å; F48-I84 HydrophobicContact CE2-CG1 3.47Å; F48-I84 VanDerWaalsContact CE2-CG1 3.47Å; F48-I84 HydrophobicContact CG-CG1 4.29Å; F48-I84 HydrophobicContact CZ-CG1 4.44Å; F48-E87 HydrophobicContact CE1-CG 4.3Å; F48-E87 HydrophobicContact CZ-CB 4.44Å; F48-E87 HydrophobicContact CZ-CG 3.86Å |
| 49 | D | 92.7 | Very high | 89.6 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | -178.1 | -158.1 | 50.2 | 0 | 0 | 0 | 111.3 | R40 F45 R46 K51 | R40-D49 IonicContact CZ-OD2 3.42Å; R40-D49 VanDerWaalsContact CZ-OD2 3.3Å; R40-D49 IonicContact NH1-OD2 2.62Å; R40-D49 PolarHBondContact NH1-OD2 3.32Å; R40-D49 IonicContact NH2-OD2 2.69Å; R40-D49 PolarHBondContact NH2-OD2 3.39Å; F45-D49 HydrophobicContact CE1-CB 4.42Å; F45-D49 HydrophobicContact CZ-CB 4.3Å; F45-D49 WeakPolarHBondContact O-CB 3Å; F45-D49 PolarHBondContact O-N 3.23Å; R46-D49 PolarHBondContact O-N 3.11Å; D49-K51 PolarHBondContact O-N 3.34Å |
| 50 | S | 91 | Very high | 89.6 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 115.7 | R46 F48 | R46-S50 WeakPolarHBondContact O-CB 3.47Å; R46-S50 PolarHBondContact O-N 2.94Å; R46-S50 PolarHBondContact O-OG 3.5Å; F48-S50 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 3.28Å |
| 51 | K | 89.9 | Confident | 89.3 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 19.7 | -178 | -74.7 | 177.5 | 156.3 | -86.9 | 0 | 113.2 | N47 F48 D49 D53 E54 I55 | N47-K51 WeakPolarHBondContact O-CB 3.44Å; N47-K51 PolarHBondContact O-N 3.22Å; F48-K51 CarbonylContact O-C 3.5Å; F48-K51 PolarHBondContact O-N 3.13Å; D49-K51 PolarHBondContact O-N 3.34Å; K51-D53 PolarHBondContact O-N 3.31Å; K51-E54 VanDerWaalsContact NZ-CD 3.34Å; K51-E54 IonicContact NZ-OE1 2.7Å; K51-E54 PolarHBondContact NZ-OE1 3.33Å; K51-E54 IonicContact NZ-OE2 2.62Å; K51-E54 PolarHBondContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact O-N 2.9Å; K51-I55 HydrophobicContact CB-CD1 3.68Å; K51-I55 HydrophobicContact CB-CG1 4.08Å; K51-I55 VanDerWaalsContact O-CG1 3.32Å; K51-I55 WeakPolarHBondContact O-CG1 3.46Å; K51-I55 PolarHBondContact O-N 3.45Å |
| 52 | R | 88.7 | Confident | 88.7 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -44.8 | -56.2 | -169.6 | 179.1 | -179.1 | 169.4 | 102.2 | 9 | 112.9 | F48 I55 L56 E87 | F48-R52 HydrophobicContact CZ-CG 4.28Å; F48-R52 VanDerWaalsContact O-CA 3.31Å; F48-R52 WeakPolarHBondContact O-CA 3.5Å; F48-R52 PolarHBondContact O-N 3.24Å; R52-I55 PolarHBondContact O-N 3.04Å; R52-L56 HydrophobicContact CG-CD1 3.95Å; R52-L56 WeakPolarHBondContact O-CB 3.33Å; R52-L56 VanDerWaalsContact O-CG 3.22Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 2.8Å; R52-E87 VanDerWaalsContact CZ-CD 3.49Å; R52-E87 IonicContact CZ-OE1 2.65Å; R52-E87 IonicContact CZ-OE2 3.37Å; R52-E87 IonicContact NH1-OE1 2.97Å; R52-E87 PolarHBondContact NH1-OE1 2.98Å; R52-E87 IonicContact NH1-OE2 3.97Å; R52-E87 PolarHBondContact NH1-OE2 2.82Å; R52-E87 IonicContact NH2-OE1 2.87Å; R52-E87 IonicContact NH2-OE2 2.77Å; R52-E87 PolarHBondContact NH2-OE2 2.87Å |
| 53 | D | 88.9 | Confident | 88 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -77.9 | -31.7 | -171.5 | -53.4 | -42.4 | 0 | 0 | 0 | 113 | K51 T57 | K51-D53 PolarHBondContact O-N 3.31Å; D53-T57 WeakPolarHBondContact O-CB 3.44Å; D53-T57 PolarHBondContact O-N 2.95Å; D53-T57 PolarHBondContact O-OG1 2.76Å |
| 54 | E | 89.5 | Confident | 87.6 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 171.7 | -175.9 | -166.9 | 162.2 | 0 | 0 | 110 | K51 T57 N58 | K51-E54 VanDerWaalsContact NZ-CD 3.34Å; K51-E54 IonicContact NZ-OE1 2.7Å; K51-E54 PolarHBondContact NZ-OE1 3.33Å; K51-E54 IonicContact NZ-OE2 2.62Å; K51-E54 PolarHBondContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact O-N 2.9Å; E54-T57 PolarHBondContact O-N 2.99Å; E54-N58 WeakPolarHBondContact O-CB 3.12Å; E54-N58 PolarHBondContact O-N 2.82Å; E54-N58 PolarHBondContact O-ND2 3.33Å |
| 55 | I | 87.8 | Confident | 87 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -49.9 | -179.2 | -68.8 | 167 | 0 | 0 | 0 | 111.2 | F48 K51 R52 T57 N58 L59 Y73 I77 C79 I84 | F48-I55 HydrophobicContact CD2-CD1 4.03Å; F48-I55 HydrophobicContact CD2-CG2 4.46Å; K51-I55 HydrophobicContact CB-CD1 3.68Å; K51-I55 HydrophobicContact CB-CG1 4.08Å; K51-I55 VanDerWaalsContact O-CG1 3.32Å; K51-I55 WeakPolarHBondContact O-CG1 3.46Å; K51-I55 PolarHBondContact O-N 3.45Å; R52-I55 PolarHBondContact O-N 3.04Å; I55-T57 VanDerWaalsContact C-N 3.31Å; I55-T57 PolarHBondContact O-N 2.63Å; I55-N58 PolarHBondContact O-N 3.37Å; I55-L59 HydrophobicContact CG2-CD1 3.89Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 3.41Å; I55-Y73 HydrophobicContact CG2-CE1 4.16Å; I55-I77 HydrophobicContact CD1-CD1 3.79Å; I55-I77 HydrophobicContact CG1-CD1 3.66Å; I55-I77 HydrophobicContact CG2-CD1 4.38Å; I55-C79 HydrophobicContact CD1-CB 3.92Å; I55-C79 VanDerWaalsContact CD1-SG 3.53Å; I55-I84 HydrophobicContact CG2-CD1 3.84Å; I55-I84 HydrophobicContact CG2-CG1 3.95Å |
| 56 | L | 86.9 | Confident | 86.7 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.2 | -34.1 | -178.8 | -66.6 | 170.3 | 0 | 0 | 0 | 111.7 | R52 K60 E87 L88 | R52-L56 HydrophobicContact CG-CD1 3.95Å; R52-L56 WeakPolarHBondContact O-CB 3.33Å; R52-L56 VanDerWaalsContact O-CG 3.22Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 2.8Å; L56-K60 WeakPolarHBondContact O-CB 3.38Å; L56-K60 WeakPolarHBondContact O-CD 3.43Å; L56-K60 WeakPolarHBondContact O-CG 2.8Å; L56-K60 PolarHBondContact O-N 2.95Å; L56-K60 VanDerWaalsContact O-N 3.16Å; L56-E87 HydrophobicContact CD1-CB 4.04Å; L56-E87 HydrophobicContact CD2-CB 4.15Å; L56-L88 HydrophobicContact CD2-CD2 3.62Å; L56-L88 HydrophobicContact CD2-CG 3.71Å |
| 57 | T | 86 | Confident | 86.3 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.2 | -44.7 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | D53 E54 I55 K60 S61 | D53-T57 WeakPolarHBondContact O-CB 3.44Å; D53-T57 PolarHBondContact O-N 2.95Å; D53-T57 PolarHBondContact O-OG1 2.76Å; E54-T57 PolarHBondContact O-N 2.99Å; I55-T57 VanDerWaalsContact C-N 3.31Å; I55-T57 PolarHBondContact O-N 2.63Å; T57-K60 PolarHBondContact O-N 2.88Å; T57-S61 PolarHBondContact O-N 2.76Å; T57-S61 VanDerWaalsContact O-N 3.17Å |
| 58 | N | 85.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -50 | 178.5 | -71.8 | -23.3 | 0 | 0 | 0 | 111.4 | E54 I55 K60 S61 E62 | E54-N58 WeakPolarHBondContact O-CB 3.12Å; E54-N58 PolarHBondContact O-N 2.82Å; E54-N58 PolarHBondContact O-ND2 3.33Å; I55-N58 PolarHBondContact O-N 3.37Å; N58-K60 PolarHBondContact O-N 3.43Å; N58-S61 WeakPolarHBondContact O-CA 3.44Å; N58-S61 WeakPolarHBondContact O-CB 3.21Å; N58-S61 PolarHBondContact O-N 3.41Å; N58-S61 PolarHBondContact O-OG 3.33Å; N58-E62 PolarHBondContact O-N 3.2Å |
| 59 | L | 84.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 179.1 | -72.4 | 166.1 | 0 | 0 | 0 | 112.7 | I55 S61 E62 G63 V65 L70 Y73 I84 L88 | I55-L59 HydrophobicContact CG2-CD1 3.89Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 3.41Å; L59-S61 PolarHBondContact O-N 3.32Å; L59-E62 PolarHBondContact O-N 3.4Å; L59-G63 PolarHBondContact O-N 3.34Å; L59-V65 HydrophobicContact CD2-CG1 4.45Å; L59-V65 HydrophobicContact CD2-CG2 4.28Å; L59-L70 HydrophobicContact CD1-CD2 4.35Å; L59-Y73 HydrophobicContact CD1-CD1 4.16Å; L59-Y73 HydrophobicContact CD1-CE1 3.88Å; L59-Y73 HydrophobicContact CD2-CD1 3.9Å; L59-Y73 HydrophobicContact CD2-CD2 3.73Å; L59-Y73 HydrophobicContact CD2-CE1 3.9Å; L59-Y73 HydrophobicContact CD2-CE2 3.74Å; L59-Y73 HydrophobicContact CD2-CG 3.82Å; L59-Y73 HydrophobicContact CG-CD1 4.3Å; L59-Y73 HydrophobicContact CG-CE1 3.88Å; L59-Y73 HydrophobicContact CG-CE2 4.23Å; L59-I84 HydrophobicContact CD1-CG2 3.43Å; L59-I84 VanDerWaalsContact CD1-CG2 3.43Å; L59-L88 HydrophobicContact CD1-CD1 4.34Å |
| 60 | K | 80 | Confident | 85.8 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -19 | 172.7 | -74.1 | 169.6 | -179.5 | 174.7 | 0 | 113.2 | L56 T57 N58 L88 D91 | L56-K60 WeakPolarHBondContact O-CB 3.38Å; L56-K60 WeakPolarHBondContact O-CD 3.43Å; L56-K60 WeakPolarHBondContact O-CG 2.8Å; L56-K60 PolarHBondContact O-N 2.95Å; L56-K60 VanDerWaalsContact O-N 3.16Å; T57-K60 PolarHBondContact O-N 2.88Å; N58-K60 PolarHBondContact O-N 3.43Å; K60-L88 HydrophobicContact CG-CD2 4.35Å; K60-D91 IonicContact NZ-OD2 3.56Å; K60-D91 PolarHBondContact NZ-OD2 2.83Å |
| 61 | S | 79.7 | Confident | 85.8 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -88.6 | -38 | 175.6 | 85.5 | 0 | 0 | 0 | 0 | 113.1 | R2 T57 N58 L59 | R2-S61 PolarHBondContact NH1-O 3.34Å; T57-S61 PolarHBondContact O-N 2.76Å; T57-S61 VanDerWaalsContact O-N 3.17Å; N58-S61 WeakPolarHBondContact O-CA 3.44Å; N58-S61 WeakPolarHBondContact O-CB 3.21Å; N58-S61 PolarHBondContact O-N 3.41Å; N58-S61 PolarHBondContact O-OG 3.33Å; L59-S61 PolarHBondContact O-N 3.32Å |
| 62 | E | 74.4 | Confident | 85.8 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -69.4 | -40.7 | -173.9 | -74.3 | 178 | 142.2 | 0 | 0 | 112.5 | N58 L59 Y73 | N58-E62 PolarHBondContact O-N 3.2Å; L59-E62 PolarHBondContact O-N 3.4Å; E62-Y73 VanDerWaalsContact OE2-CE2 3.23Å; E62-Y73 WeakPolarHBondContact OE2-CE2 3.43Å |
| 63 | G | 78.6 | Confident | 85.9 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | trans | 158.1 | -139.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L59 | L59-G63 PolarHBondContact O-N 3.34Š| ||
| 64 | I | 84 | Confident | 86 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 66% | 0.656 | 30% | 0.303 | S | S | * | . | trans | -89.7 | 140.3 | 161.8 | -63.3 | 173.3 | 0 | 0 | 0 | 106.1 | V5 | V5-I64 HydrophobicContact CB-CG1 4.24Å; V5-I64 HydrophobicContact CB-CG2 4.14Å; V5-I64 HydrophobicContact CG1-CG2 4.12Å; V5-I64 HydrophobicContact CG2-CD1 4.04Å; V5-I64 HydrophobicContact CG2-CG1 4Å | ||
| 65 | V | 84.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | trans | -133.5 | 129.8 | -172.4 | -164.1 | 0 | 0 | 0 | 0 | 108.2 | L59 D69 L70 | L59-V65 HydrophobicContact CD2-CG1 4.45Å; L59-V65 HydrophobicContact CD2-CG2 4.28Å; V65-D69 HydrophobicContact CG1-CB 3.49Å; V65-D69 VanDerWaalsContact CG1-CB 3.49Å; V65-L70 HydrophobicContact CB-CG 4.47Å; V65-L70 HydrophobicContact CG1-CD2 4.07Å; V65-L70 HydrophobicContact CG1-CG 3.8Å | ||
| 66 | D | 87.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | trans | -95.8 | -166.9 | 177.9 | 69.2 | 21.9 | 0 | 0 | 0 | 112.7 | E68 D69 L70 | D66-E68 PolarHBondContact OD1-N 3.02Å; D66-D69 WeakPolarHBondContact OD1-CB 3.28Å; D66-D69 PolarHBondContact OD1-N 2.73Å; D66-L70 VanDerWaalsContact O-CB 3.24Å; D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 WeakPolarHBondContact O-CD1 3.4Å; D66-L70 WeakPolarHBondContact O-CG 3.49Å; D66-L70 PolarHBondContact O-N 3.19Å | ||
| 67 | I | 86.2 | Confident | 86.6 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72 | -40.8 | -177.7 | -75.9 | 174.3 | 0 | 0 | 0 | 110.9 | V7 Q13 L14 S71 | V7-I67 HydrophobicContact CB-CG1 4.24Å; V7-I67 HydrophobicContact CG1-CD1 3.76Å; V7-I67 HydrophobicContact CG1-CG1 3.63Å; Q13-I67 HydrophobicContact CB-CG2 3.89Å; L14-I67 HydrophobicContact CD2-CB 4.48Å; L14-I67 HydrophobicContact CD2-CG2 3.9Å; I67-S71 WeakPolarHBondContact O-CB 3.25Å; I67-S71 PolarHBondContact O-N 3.24Å |
| 68 | E | 87.7 | Confident | 87 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.9 | -47.8 | -179.4 | -72.6 | 59.8 | -145.7 | 0 | 0 | 110.2 | D66 S71 N72 | D66-E68 PolarHBondContact OD1-N 3.02Å; E68-S71 WeakPolarHBondContact O-CB 3.42Å; E68-S71 PolarHBondContact O-N 3.05Å; E68-N72 WeakPolarHBondContact O-CB 3.41Å; E68-N72 PolarHBondContact O-N 3.46Å; E68-N72 PolarHBondContact O-ND2 2.98Å; E68-N72 VanDerWaalsContact O-ND2 3.11Å |
| 69 | D | 89.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 173.2 | -80.9 | -23.8 | 0 | 0 | 0 | 112.3 | V65 D66 S71 N72 Y73 | V65-D69 HydrophobicContact CG1-CB 3.49Å; V65-D69 VanDerWaalsContact CG1-CB 3.49Å; D66-D69 WeakPolarHBondContact OD1-CB 3.28Å; D66-D69 PolarHBondContact OD1-N 2.73Å; D69-S71 VanDerWaalsContact C-N 3.26Å; D69-S71 PolarHBondContact O-N 2.74Å; D69-N72 PolarHBondContact O-N 2.99Å; D69-Y73 WeakPolarHBondContact O-CB 3.49Å; D69-Y73 PolarHBondContact O-N 3.36Å |
| 70 | L | 90.5 | Very high | 88 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 174.4 | -81.4 | 171.2 | 0 | 0 | 0 | 111.9 | L14 L59 V65 D66 G74 P81 I84 L88 | L14-L70 HydrophobicContact CD2-CB 4.28Å; L59-L70 HydrophobicContact CD1-CD2 4.35Å; V65-L70 HydrophobicContact CB-CG 4.47Å; V65-L70 HydrophobicContact CG1-CD2 4.07Å; V65-L70 HydrophobicContact CG1-CG 3.8Å; D66-L70 VanDerWaalsContact O-CB 3.24Å; D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 WeakPolarHBondContact O-CD1 3.4Å; D66-L70 WeakPolarHBondContact O-CG 3.49Å; D66-L70 PolarHBondContact O-N 3.19Å; L70-G74 PolarHBondContact O-N 3.05Å; L70-P81 HydrophobicContact CB-CB 4.44Å; L70-P81 WeakPolarHBondContact O-CB 3.45Å; L70-P81 WeakPolarHBondContact O-CG 3.48Å; L70-I84 HydrophobicContact CD2-CG2 3.69Å; L70-L88 HydrophobicContact CD2-CD1 3.99Å |
| 71 | S | 91.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -51.7 | 176.2 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | I67 E68 D69 Y73 G74 Q75 | I67-S71 WeakPolarHBondContact O-CB 3.25Å; I67-S71 PolarHBondContact O-N 3.24Å; E68-S71 WeakPolarHBondContact O-CB 3.42Å; E68-S71 PolarHBondContact O-N 3.05Å; D69-S71 VanDerWaalsContact C-N 3.26Å; D69-S71 PolarHBondContact O-N 2.74Å; S71-Y73 VanDerWaalsContact C-N 3.35Å; S71-Y73 PolarHBondContact O-N 3.26Å; S71-G74 PolarHBondContact O-N 3.16Å; S71-Q75 WeakPolarHBondContact O-CB 3.36Å; S71-Q75 PolarHBondContact O-N 3.05Å |
| 72 | N | 90.9 | Very high | 89.3 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 177.5 | -70.1 | -31.8 | 0 | 0 | 0 | 111.8 | E68 D69 Q75 K76 | E68-N72 WeakPolarHBondContact O-CB 3.41Å; E68-N72 PolarHBondContact O-N 3.46Å; E68-N72 PolarHBondContact O-ND2 2.98Å; E68-N72 VanDerWaalsContact O-ND2 3.11Å; D69-N72 PolarHBondContact O-N 2.99Å; N72-Q75 PolarHBondContact O-N 3.46Å; N72-K76 WeakPolarHBondContact O-CB 3.43Å; N72-K76 PolarHBondContact O-N 3.45Å |
| 73 | Y | 90.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 176.8 | -175.3 | -86.6 | 0 | 0 | 0 | 111.4 | I55 L59 E62 D69 S71 Q75 K76 I77 | I55-Y73 HydrophobicContact CG2-CE1 4.16Å; L59-Y73 HydrophobicContact CD1-CD1 4.16Å; L59-Y73 HydrophobicContact CD1-CE1 3.88Å; L59-Y73 HydrophobicContact CD2-CD1 3.9Å; L59-Y73 HydrophobicContact CD2-CD2 3.73Å; L59-Y73 HydrophobicContact CD2-CE1 3.9Å; L59-Y73 HydrophobicContact CD2-CE2 3.74Å; L59-Y73 HydrophobicContact CD2-CG 3.82Å; L59-Y73 HydrophobicContact CG-CD1 4.3Å; L59-Y73 HydrophobicContact CG-CE1 3.88Å; L59-Y73 HydrophobicContact CG-CE2 4.23Å; E62-Y73 VanDerWaalsContact OE2-CE2 3.23Å; E62-Y73 WeakPolarHBondContact OE2-CE2 3.43Å; D69-Y73 WeakPolarHBondContact O-CB 3.49Å; D69-Y73 PolarHBondContact O-N 3.36Å; S71-Y73 VanDerWaalsContact C-N 3.35Å; S71-Y73 PolarHBondContact O-N 3.26Å; Y73-Q75 VanDerWaalsContact C-N 3.25Å; Y73-Q75 PolarHBondContact O-N 3.05Å; Y73-K76 WeakPolarHBondContact O-CB 3.31Å; Y73-K76 PolarHBondContact O-N 3.49Å; Y73-K76 VanDerWaalsContact O-N 3.13Å; Y73-I77 HydrophobicContact CD1-CD1 4.02Å; Y73-I77 HydrophobicContact CD1-CG1 4Å; Y73-I77 HydrophobicContact CE1-CD1 3.37Å; Y73-I77 HydrophobicContact CE1-CG1 3.82Å; Y73-I77 HydrophobicContact CE1-CG2 4.47Å; Y73-I77 WeakPolarHBondContact O-CG1 3.22Å; Y73-I77 PolarHBondContact O-N 2.97Å |
| 74 | G | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L16 L70 S71 K78 C79 | L16-G74 VanDerWaalsContact CD1-C 3.49Å; L70-G74 PolarHBondContact O-N 3.05Å; S71-G74 PolarHBondContact O-N 3.16Å; G74-K78 CarbonylContact O-C 3.59Å; G74-K78 WeakPolarHBondContact O-CA 3.39Å; G74-K78 PolarHBondContact O-N 3.31Å; G74-C79 CarbonylContact C-O 3.54Å; G74-C79 WeakPolarHBondContact CA-O 3.32Å; G74-C79 PolarHBondContact O-N 3.42Å; G74-C79 VanDerWaalsContact O-O 3.14Å |
| 75 | Q | 93 | Very high | 91.1 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.9 | -46.6 | 172 | -171.4 | 175.2 | 4.1 | 0 | 0 | 111.4 | L16 S71 N72 Y73 I77 K78 | L16-Q75 HydrophobicContact CD1-CB 4.06Å; S71-Q75 WeakPolarHBondContact O-CB 3.36Å; S71-Q75 PolarHBondContact O-N 3.05Å; N72-Q75 PolarHBondContact O-N 3.46Å; Y73-Q75 VanDerWaalsContact C-N 3.25Å; Y73-Q75 PolarHBondContact O-N 3.05Å; Q75-I77 PolarHBondContact O-N 3.44Å; Q75-K78 PolarHBondContact O-N 2.99Å |
| 76 | K | 92.5 | Very high | 91.3 | Very high | 166 Ų | 166 | 46.8 Ų | 46.8 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59 | -41.5 | 177.7 | 178.6 | -174.4 | 175.6 | -171.1 | 0 | 112.9 | N72 Y73 | N72-K76 WeakPolarHBondContact O-CB 3.43Å; N72-K76 PolarHBondContact O-N 3.45Å; Y73-K76 WeakPolarHBondContact O-CB 3.31Å; Y73-K76 PolarHBondContact O-N 3.49Å; Y73-K76 VanDerWaalsContact O-N 3.13Å |
| 77 | I | 91.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 6.1 | -179 | 71.1 | 152.6 | 0 | 0 | 0 | 114.5 | I55 Y73 Q75 C79 | I55-I77 HydrophobicContact CD1-CD1 3.79Å; I55-I77 HydrophobicContact CG1-CD1 3.66Å; I55-I77 HydrophobicContact CG2-CD1 4.38Å; Y73-I77 HydrophobicContact CD1-CD1 4.02Å; Y73-I77 HydrophobicContact CD1-CG1 4Å; Y73-I77 HydrophobicContact CE1-CD1 3.37Å; Y73-I77 HydrophobicContact CE1-CG1 3.82Å; Y73-I77 HydrophobicContact CE1-CG2 4.47Å; Y73-I77 WeakPolarHBondContact O-CG1 3.22Å; Y73-I77 PolarHBondContact O-N 2.97Å; Q75-I77 PolarHBondContact O-N 3.44Å; I77-C79 VanDerWaalsContact C-N 3.32Å; I77-C79 HydrophobicContact CD1-CB 3.68Å; I77-C79 HydrophobicContact CG1-CB 3.85Å; I77-C79 PolarHBondContact O-N 3.41Å; I77-C79 PolarHBondContact O-SG 3.45Å; I77-C79 VanDerWaalsContact O-SG 3.41Å |
| 78 | K | 93.8 | Very high | 91.3 | Very high | 97 Ų | 97 | 45 Ų | 45 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.7 | -175.3 | -53.7 | -176 | 103.8 | -150.8 | 0 | 114.3 | E43 N47 G74 Q75 | E43-K78 WeakPolarHBondContact OE1-CE 3.12Å; E43-K78 IonicContact OE1-NZ 2.69Å; E43-K78 PolarHBondContact OE1-NZ 2.9Å; E43-K78 IonicContact OE2-NZ 3.65Å; E43-K78 PolarHBondContact OE2-NZ 3.41Å; N47-K78 VanDerWaalsContact CB-O 3.31Å; N47-K78 WeakPolarHBondContact CB-O 3.38Å; N47-K78 PolarHBondContact ND2-O 2.84Å; G74-K78 CarbonylContact O-C 3.59Å; G74-K78 WeakPolarHBondContact O-CA 3.39Å; G74-K78 PolarHBondContact O-N 3.31Å; Q75-K78 PolarHBondContact O-N 2.99Å |
| 79 | C | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -121.9 | 154.6 | 178.5 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | Y44 N47 F48 I55 G74 I77 P81 I84 | Y44-C79 CarbonylContact O-C 3.56Å; Y44-C79 WeakPolarHBondContact O-CA 3.48Å; N47-C79 VanDerWaalsContact C-SG 3.59Å; F48-C79 HydrophobicContact CB-CB 4.15Å; I55-C79 HydrophobicContact CD1-CB 3.92Å; I55-C79 VanDerWaalsContact CD1-SG 3.53Å; G74-C79 CarbonylContact C-O 3.54Å; G74-C79 WeakPolarHBondContact CA-O 3.32Å; G74-C79 PolarHBondContact O-N 3.42Å; G74-C79 VanDerWaalsContact O-O 3.14Å; I77-C79 VanDerWaalsContact C-N 3.32Å; I77-C79 HydrophobicContact CD1-CB 3.68Å; I77-C79 HydrophobicContact CG1-CB 3.85Å; I77-C79 PolarHBondContact O-N 3.41Å; I77-C79 PolarHBondContact O-SG 3.45Å; I77-C79 VanDerWaalsContact O-SG 3.41Å; C79-P81 WeakPolarHBondContact O-CD 3.47Å; C79-I84 HydrophobicContact CB-CD1 4.23Å | ||
| 80 | C | 95.5 | Very high | 91 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.054 | 20% | 0.196 | C | C | . | . | trans | -80 | 110.9 | -168.5 | -169 | 0 | 0 | 0 | 0 | 113.5 | Y44 Y82 F83 I84 | Y44-C80 WeakPolarHBondContact O-CB 3.31Å; Y44-C80 PolarHBondContact O-N 3.23Å; C80-Y82 VanDerWaalsContact C-N 3.28Å; C80-Y82 PolarHBondContact O-N 2.91Å; C80-F83 HydrophobicContact CB-CD2 4.37Å; C80-F83 PolarHBondContact O-N 2.61Å; C80-F83 VanDerWaalsContact O-N 3.15Å; C80-I84 WeakPolarHBondContact O-CG1 3.18Å; C80-I84 PolarHBondContact O-N 2.91Å; C80-I84 VanDerWaalsContact O-N 3.17Å | ||
| 81 | P | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -40 | -179.6 | -21.3 | 32.1 | 0 | 0 | 0 | 112.6 | L14 L16 L70 C79 F83 I84 S85 | L14-P81 HydrophobicContact CB-CB 4.04Å; L14-P81 HydrophobicContact CD2-CB 3.81Å; L14-P81 HydrophobicContact CG-CB 4.43Å; L14-P81 WeakPolarHBondContact O-CD 3.45Å; L16-P81 HydrophobicContact CD1-CG 3.68Å; L16-P81 HydrophobicContact CD2-CG 4.41Å; L16-P81 HydrophobicContact CG-CG 3.9Å; L70-P81 HydrophobicContact CB-CB 4.44Å; L70-P81 WeakPolarHBondContact O-CB 3.45Å; L70-P81 WeakPolarHBondContact O-CG 3.48Å; C79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-F83 VanDerWaalsContact C-N 3.28Å; P81-F83 PolarHBondContact O-N 2.75Å; P81-I84 PolarHBondContact O-N 2.78Å; P81-S85 PolarHBondContact O-N 2.64Å; P81-S85 PolarHBondContact O-OG 3.39Å |
| 82 | Y | 93.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -28.7 | -179.1 | 172.8 | -97.7 | 0 | 0 | 0 | 114.5 | R11 L14 C80 S85 R86 Y111 | R11-Y82 HydrophobicContact CG-CD1 4.23Å; R11-Y82 HydrophobicContact CG-CD2 3.77Å; R11-Y82 HydrophobicContact CG-CE1 4.19Å; R11-Y82 HydrophobicContact CG-CE2 3.71Å; R11-Y82 HydrophobicContact CG-CG 4.05Å; R11-Y82 PolarHBondContact NH1-OH 3.43Å; R11-Y82 PolarHBondContact NH2-OH 3.17Å; L14-Y82 WeakPolarHBondContact O-CB 3.44Å; L14-Y82 PolarHBondContact O-N 3.03Å; C80-Y82 VanDerWaalsContact C-N 3.28Å; C80-Y82 PolarHBondContact O-N 2.91Å; Y82-S85 PolarHBondContact O-OG 2.7Å; Y82-S85 VanDerWaalsContact O-OG 3.07Å; Y82-R86 WeakPolarHBondContact O-CG 3.35Å; Y82-Y111 HydrophobicContact CE2-CE1 4.18Å; Y82-Y111 WeakPolarHBondContact OH-CE1 3.27Å; Y82-Y111 VanDerWaalsContact OH-CZ 3.3Å; Y82-Y111 PolarHBondContact OH-OH 3.45Å |
| 83 | F | 91.9 | Very high | 90.1 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -88.2 | -38 | 174.5 | -81.1 | -89.7 | 0 | 0 | 0 | 111.4 | V37 F45 F48 C80 P81 S85 R86 E87 | V37-F83 HydrophobicContact CG1-CZ 4.06Å; V37-F83 HydrophobicContact CG2-CE2 3.65Å; V37-F83 HydrophobicContact CG2-CZ 3.77Å; F45-F83 HydrophobicContact CD2-CB 4.46Å; F45-F83 HydrophobicContact CD2-CD1 4.06Å; F45-F83 AromaticContact CD2-CD2 3.62Å; F45-F83 HydrophobicContact CD2-CD2 3.62Å; F45-F83 HydrophobicContact CD2-CE1 4.18Å; F45-F83 AromaticContact CD2-CE2 3.76Å; F45-F83 HydrophobicContact CD2-CE2 3.76Å; F45-F83 AromaticContact CD2-CG 3.78Å; F45-F83 HydrophobicContact CD2-CG 3.78Å; F45-F83 HydrophobicContact CD2-CZ 4.04Å; F45-F83 AromaticContact CE2-CD1 3.78Å; F45-F83 HydrophobicContact CE2-CD1 3.78Å; F45-F83 HydrophobicContact CE2-CD2 4.2Å; F45-F83 AromaticContact CE2-CE1 3.81Å; F45-F83 HydrophobicContact CE2-CE1 3.81Å; F45-F83 HydrophobicContact CE2-CE2 4.24Å; F45-F83 AromaticContact CE2-CG 3.98Å; F45-F83 HydrophobicContact CE2-CG 3.98Å; F45-F83 HydrophobicContact CE2-CZ 4.05Å; F48-F83 HydrophobicContact CD1-CB 3.67Å; F48-F83 HydrophobicContact CE1-CB 3.66Å; F48-F83 HydrophobicContact CG-CB 4.42Å; F48-F83 HydrophobicContact CZ-CB 4.4Å; C80-F83 HydrophobicContact CB-CD2 4.37Å; C80-F83 PolarHBondContact O-N 2.61Å; C80-F83 VanDerWaalsContact O-N 3.15Å; P81-F83 VanDerWaalsContact C-N 3.28Å; P81-F83 PolarHBondContact O-N 2.75Å; F83-S85 VanDerWaalsContact C-N 3.3Å; F83-S85 PolarHBondContact O-N 2.94Å; F83-R86 PolarHBondContact O-N 2.92Å; F83-E87 PolarHBondContact O-N 3.5Å |
| 84 | I | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52 | -49.2 | 171.1 | -65.4 | 166.9 | 0 | 0 | 0 | 110.6 | F48 I55 L59 L70 C79 C80 P81 R86 E87 L88 | F48-I84 HydrophobicContact CD2-CD1 4.22Å; F48-I84 HydrophobicContact CD2-CG1 3.38Å; F48-I84 HydrophobicContact CE2-CB 4.27Å; F48-I84 HydrophobicContact CE2-CG1 3.47Å; F48-I84 VanDerWaalsContact CE2-CG1 3.47Å; F48-I84 HydrophobicContact CG-CG1 4.29Å; F48-I84 HydrophobicContact CZ-CG1 4.44Å; I55-I84 HydrophobicContact CG2-CD1 3.84Å; I55-I84 HydrophobicContact CG2-CG1 3.95Å; L59-I84 HydrophobicContact CD1-CG2 3.43Å; L59-I84 VanDerWaalsContact CD1-CG2 3.43Å; L70-I84 HydrophobicContact CD2-CG2 3.69Å; C79-I84 HydrophobicContact CB-CD1 4.23Å; C80-I84 WeakPolarHBondContact O-CG1 3.18Å; C80-I84 PolarHBondContact O-N 2.91Å; C80-I84 VanDerWaalsContact O-N 3.17Å; P81-I84 PolarHBondContact O-N 2.78Å; I84-R86 VanDerWaalsContact C-N 3.29Å; I84-R86 PolarHBondContact O-N 2.93Å; I84-E87 PolarHBondContact O-N 3.03Å; I84-L88 HydrophobicContact CG2-CD1 3.76Å; I84-L88 HydrophobicContact CG2-CG 4.22Å; I84-L88 WeakPolarHBondContact O-CG 3.07Å; I84-L88 PolarHBondContact O-N 3.21Å |
| 85 | S | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -27.8 | 179.2 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | V7 L14 P81 Y82 F83 | V7-S85 WeakPolarHBondContact O-CB 3.46Å; L14-S85 VanDerWaalsContact CD1-OG 3.32Å; L14-S85 WeakPolarHBondContact CD1-OG 3.24Å; P81-S85 PolarHBondContact O-N 2.64Å; P81-S85 PolarHBondContact O-OG 3.39Å; Y82-S85 PolarHBondContact O-OG 2.7Å; Y82-S85 VanDerWaalsContact O-OG 3.07Å; F83-S85 VanDerWaalsContact C-N 3.3Å; F83-S85 PolarHBondContact O-N 2.94Å |
| 86 | R | 88.4 | Confident | 90.2 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -76.3 | -32.2 | 177.9 | -75.3 | 177.2 | 83.1 | -126 | 5.2 | 112.1 | Y82 F83 I84 K89 L110 Y111 | Y82-R86 WeakPolarHBondContact O-CG 3.35Å; F83-R86 PolarHBondContact O-N 2.92Å; I84-R86 VanDerWaalsContact C-N 3.29Å; I84-R86 PolarHBondContact O-N 2.93Å; R86-K89 WeakPolarHBondContact O-CB 3.16Å; R86-L110 PolarHBondContact NH2-O 3.33Å; R86-Y111 HydrophobicContact CG-CD1 4.13Å; R86-Y111 HydrophobicContact CG-CE1 4.16Å |
| 87 | E | 88.3 | Confident | 90.1 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -87.3 | -38.8 | -179.8 | -56.2 | -63.3 | 178.4 | 0 | 0 | 111.9 | F48 R52 L56 F83 I84 K89 T90 | F48-E87 HydrophobicContact CE1-CG 4.3Å; F48-E87 HydrophobicContact CZ-CB 4.44Å; F48-E87 HydrophobicContact CZ-CG 3.86Å; R52-E87 VanDerWaalsContact CZ-CD 3.49Å; R52-E87 IonicContact CZ-OE1 2.65Å; R52-E87 IonicContact CZ-OE2 3.37Å; R52-E87 IonicContact NH1-OE1 2.97Å; R52-E87 PolarHBondContact NH1-OE1 2.98Å; R52-E87 IonicContact NH1-OE2 3.97Å; R52-E87 PolarHBondContact NH1-OE2 2.82Å; R52-E87 IonicContact NH2-OE1 2.87Å; R52-E87 IonicContact NH2-OE2 2.77Å; R52-E87 PolarHBondContact NH2-OE2 2.87Å; L56-E87 HydrophobicContact CD1-CB 4.04Å; L56-E87 HydrophobicContact CD2-CB 4.15Å; F83-E87 PolarHBondContact O-N 3.5Å; I84-E87 PolarHBondContact O-N 3.03Å; E87-K89 PolarHBondContact O-N 3.3Å; E87-K89 VanDerWaalsContact O-N 3.08Å; E87-T90 PolarHBondContact O-N 3.21Å; E87-T90 PolarHBondContact O-OG1 3.34Å |
| 88 | L | 86.8 | Confident | 90 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.6 | -31.2 | 171.7 | -73.9 | 173.9 | 0 | 0 | 0 | 112.4 | S6 L56 L59 K60 L70 I84 T90 S92 | S6-L88 WeakPolarHBondContact OG-CB 3.25Å; L56-L88 HydrophobicContact CD2-CD2 3.62Å; L56-L88 HydrophobicContact CD2-CG 3.71Å; L59-L88 HydrophobicContact CD1-CD1 4.34Å; K60-L88 HydrophobicContact CG-CD2 4.35Å; L70-L88 HydrophobicContact CD2-CD1 3.99Å; I84-L88 HydrophobicContact CG2-CD1 3.76Å; I84-L88 HydrophobicContact CG2-CG 4.22Å; I84-L88 WeakPolarHBondContact O-CG 3.07Å; I84-L88 PolarHBondContact O-N 3.21Å; L88-T90 VanDerWaalsContact C-N 3.3Å; L88-T90 PolarHBondContact O-N 3.14Å; L88-S92 PolarHBondContact O-OG 3.25Å |
| 89 | K | 87.6 | Confident | 90 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.6 | -32.8 | 176 | -166 | -145.5 | 69.2 | 170 | 0 | 114 | S6 V8 R86 E87 D91 S92 I95 Y111 N112 I113 | S6-K89 PolarHBondContact OG-N 3.02Å; V8-K89 HydrophobicContact CG2-CB 4.34Å; V8-K89 HydrophobicContact CG2-CD 4.2Å; V8-K89 HydrophobicContact CG2-CG 3.88Å; R86-K89 WeakPolarHBondContact O-CB 3.16Å; E87-K89 PolarHBondContact O-N 3.3Å; E87-K89 VanDerWaalsContact O-N 3.08Å; K89-D91 VanDerWaalsContact C-N 3.31Å; K89-D91 PolarHBondContact O-N 3.19Å; K89-S92 PolarHBondContact O-N 2.95Å; K89-I95 HydrophobicContact CG-CD1 3.86Å; K89-I95 HydrophobicContact CG-CG1 4.25Å; K89-I95 HydrophobicContact CG-CG2 3.96Å; K89-Y111 PolarHBondContact NZ-O 3.08Å; K89-N112 VanDerWaalsContact NZ-C 3.33Å; K89-N112 PolarHBondContact NZ-O 3.22Å; K89-I113 HydrophobicContact CD-CG1 4.44Å |
| 90 | T | 82.3 | Confident | 89.7 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -65.8 | -36.6 | -172.5 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | E87 L88 | E87-T90 PolarHBondContact O-N 3.21Å; E87-T90 PolarHBondContact O-OG1 3.34Å; L88-T90 VanDerWaalsContact C-N 3.3Å; L88-T90 PolarHBondContact O-N 3.14Å |
| 91 | D | 77.8 | Confident | 89.4 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -103 | 16 | -172.2 | -50.4 | -9.7 | 0 | 0 | 0 | 111.6 | S4 K60 K89 | S4-D91 WeakPolarHBondContact CB-O 3.42Å; S4-D91 PolarHBondContact OG-O 3.19Å; K60-D91 IonicContact NZ-OD2 3.56Å; K60-D91 PolarHBondContact NZ-OD2 2.83Å; K89-D91 VanDerWaalsContact C-N 3.31Å; K89-D91 PolarHBondContact O-N 3.19Å |
| 92 | S | 86.5 | Confident | 89.3 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -87.3 | 133 | -168.4 | -78.5 | 0 | 0 | 0 | 0 | 113.9 | S4 S6 L88 K89 I95 | S4-S92 WeakPolarHBondContact OG-CA 3.29Å; S6-S92 WeakPolarHBondContact CB-OG 3.48Å; L88-S92 PolarHBondContact O-OG 3.25Å; K89-S92 PolarHBondContact O-N 2.95Å; S92-I95 VanDerWaalsContact CB-CG1 3.49Å | ||
| 93 | S | 88.8 | Confident | 89.3 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 57% | 0.573 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -81.3 | -22.7 | 171.3 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | S4 | S4-S93 PolarHBondContact N-OG 3.14Å; S4-S93 WeakPolarHBondContact O-CA 3.38Å; S4-S93 WeakPolarHBondContact O-CB 3.19Å; S4-S93 PolarHBondContact O-N 3.34Å; S4-S93 PolarHBondContact OG-N 3.42Å; S4-S93 PolarHBondContact OG-OG 3.12Å |
| 94 | L | 92.3 | Very high | 89 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 45% | 0.445 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 130.4 | 176.4 | 175.4 | 62.1 | 0 | 0 | 0 | 108.6 | S4 V5 S6 F96 | S4-L94 PolarHBondContact O-N 2.67Å; S4-L94 VanDerWaalsContact O-N 3.14Å; V5-L94 WeakPolarHBondContact CA-O 3.35Å; V5-L94 HydrophobicContact CG1-CD2 4.33Å; V5-L94 HydrophobicContact CG1-CG 4.44Å; V5-L94 HydrophobicContact CG2-CB 4.35Å; V5-L94 HydrophobicContact CG2-CD2 4.43Å; S6-L94 PolarHBondContact N-O 3.34Å; L94-F96 HydrophobicContact CD2-CE2 3.67Å; L94-F96 HydrophobicContact CD2-CZ 3.83Å; L94-F96 HydrophobicContact CG-CD2 4.45Å; L94-F96 HydrophobicContact CG-CE2 3.95Å; L94-F96 HydrophobicContact CG-CZ 4.33Å |
| 95 | I | 92.4 | Very high | 88.6 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 30% | 0.303 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.3 | -179 | -54.2 | 160.1 | 0 | 0 | 0 | 109 | S6 V8 K89 S92 M97 | S6-I95 WeakPolarHBondContact O-CA 3.39Å; V8-I95 HydrophobicContact CG2-CG2 3.76Å; K89-I95 HydrophobicContact CG-CD1 3.86Å; K89-I95 HydrophobicContact CG-CG1 4.25Å; K89-I95 HydrophobicContact CG-CG2 3.96Å; S92-I95 VanDerWaalsContact CB-CG1 3.49Å; I95-M97 HydrophobicContact CB-CE 4.07Å; I95-M97 HydrophobicContact CG2-CE 3.46Å; I95-M97 VanDerWaalsContact CG2-CE 3.46Å |
| 96 | F | 93.2 | Very high | 88 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.3 | 168.8 | -66.4 | -86 | 0 | 0 | 0 | 109.3 | V5 S6 V7 V8 L94 | V5-F96 HydrophobicContact CG1-CD2 3.99Å; V5-F96 HydrophobicContact CG1-CE2 3.74Å; S6-F96 PolarHBondContact O-N 3.47Å; V7-F96 HydrophobicContact CB-CB 4.44Å; V7-F96 HydrophobicContact CG1-CB 4.06Å; V7-F96 HydrophobicContact CG2-CB 4.23Å; V7-F96 HydrophobicContact CG2-CD2 4.27Å; V8-F96 PolarHBondContact N-O 2.89Å; L94-F96 HydrophobicContact CD2-CE2 3.67Å; L94-F96 HydrophobicContact CD2-CZ 3.83Å; L94-F96 HydrophobicContact CG-CD2 4.45Å; L94-F96 HydrophobicContact CG-CE2 3.95Å; L94-F96 HydrophobicContact CG-CZ 4.33Å |
| 97 | M | 91 | Very high | 87.7 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 21% | 0.207 | 25% | 0.252 | C | S | . | . | trans | -149.7 | 152.5 | 177.2 | 68.1 | 180 | 75.3 | 0 | 0 | 111.6 | V8 I95 V102 I113 | V8-M97 HydrophobicContact CB-CB 4.09Å; I95-M97 HydrophobicContact CB-CE 4.07Å; I95-M97 HydrophobicContact CG2-CE 3.46Å; I95-M97 VanDerWaalsContact CG2-CE 3.46Å; M97-V102 HydrophobicContact CG-CG2 3.76Å; M97-V102 HydrophobicContact SD-CG2 3.54Å; M97-V102 VanDerWaalsContact SD-CG2 3.54Å; M97-I113 HydrophobicContact CE-CD1 4.38Å; M97-I113 HydrophobicContact CE-CG2 4.23Å; M97-I113 HydrophobicContact SD-CD1 4.01Å; M97-I113 HydrophobicContact SD-CG2 4.49Å | ||
| 98 | P | 89.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | trans | -64.7 | 152.2 | 174.5 | -21.4 | 34.1 | 0 | 0 | 0 | 113 | N100 Y101 | P98-N100 VanDerWaalsContact C-N 3.28Å; P98-N100 WeakPolarHBondContact CB-OD1 3.41Å; P98-N100 PolarHBondContact O-N 3.09Å; P98-N100 VanDerWaalsContact O-N 3.13Å; P98-Y101 HydrophobicContact CB-CD2 4.08Å; P98-Y101 HydrophobicContact CB-CE2 4.47Å; P98-Y101 HydrophobicContact CG-CD2 4.12Å; P98-Y101 HydrophobicContact CG-CE2 4.17Å; P98-Y101 WeakPolarHBondContact O-CB 3.49Å; P98-Y101 PolarHBondContact O-N 3.38Å | ||
| 99 | Y | 91.9 | Very high | 87.4 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -51.8 | -40.8 | -174.1 | -80.6 | 25.5 | 0 | 0 | 0 | 114.4 | Y101 V102 L103 F122 D123 E124 A125 I128 V131 | Y99-Y101 PolarHBondContact O-N 3.2Å; Y99-V102 PolarHBondContact O-N 3.41Å; Y99-L103 HydrophobicContact CD2-CD1 4.45Å; Y99-L103 PolarHBondContact O-N 3.41Å; Y99-F122 AromaticContact CD1-CD1 3.98Å; Y99-F122 HydrophobicContact CD1-CD1 3.98Å; Y99-F122 HydrophobicContact CD2-CD1 4.04Å; Y99-F122 HydrophobicContact CE1-CB 4.35Å; Y99-F122 AromaticContact CE1-CD1 3.99Å; Y99-F122 HydrophobicContact CE1-CD1 3.99Å; Y99-F122 HydrophobicContact CE2-CB 4.47Å; Y99-F122 HydrophobicContact CE2-CD1 4.02Å; Y99-F122 HydrophobicContact CG-CD1 4.01Å; Y99-F122 HydrophobicContact CG-CE1 4.38Å; Y99-F122 AromaticContact CZ-CD1 3.99Å; Y99-D123 WeakPolarHBondContact CE1-O 3.31Å; Y99-D123 VanDerWaalsContact OH-C 3.26Å; Y99-D123 PolarHBondContact OH-O 2.89Å; Y99-E124 PolarHBondContact OH-O 2.92Å; Y99-A125 WeakPolarHBondContact OH-CA 3.36Å; Y99-A125 PolarHBondContact OH-N 3.33Å; Y99-I128 HydrophobicContact CD2-CD1 3.84Å; Y99-I128 HydrophobicContact CE2-CD1 3.69Å; Y99-V131 HydrophobicContact CD2-CB 4.46Å; Y99-V131 HydrophobicContact CD2-CG1 4.43Å; Y99-V131 HydrophobicContact CD2-CG2 4.29Å |
| 100 | N | 88.8 | Confident | 86.9 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.1 | -22.5 | -178.8 | 64.8 | -46.3 | 0 | 0 | 0 | 112.8 | P98 V102 D104 I107 | P98-N100 VanDerWaalsContact C-N 3.28Å; P98-N100 WeakPolarHBondContact CB-OD1 3.41Å; P98-N100 PolarHBondContact O-N 3.09Å; P98-N100 VanDerWaalsContact O-N 3.13Å; N100-V102 VanDerWaalsContact C-N 3.26Å; N100-V102 PolarHBondContact O-N 3.1Å; N100-D104 WeakPolarHBondContact O-CB 3.38Å; N100-D104 PolarHBondContact O-N 3.32Å; N100-D104 VanDerWaalsContact O-N 3.13Å; N100-I107 HydrophobicContact CB-CD1 4.07Å; N100-I107 VanDerWaalsContact ND2-CD1 3.27Å; N100-I107 WeakPolarHBondContact ND2-CD1 3.48Å |
| 101 | Y | 90.3 | Very high | 86.8 | Confident | 17 Ų | 17 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.7 | -19.6 | 171.7 | -73.8 | -117.3 | 0 | 0 | 0 | 112.8 | V8 P98 Y99 I107 R108 Y111 I113 | V8-Y101 HydrophobicContact CG1-CD1 3.98Å; V8-Y101 HydrophobicContact CG1-CE1 3.71Å; P98-Y101 HydrophobicContact CB-CD2 4.08Å; P98-Y101 HydrophobicContact CB-CE2 4.47Å; P98-Y101 HydrophobicContact CG-CD2 4.12Å; P98-Y101 HydrophobicContact CG-CE2 4.17Å; P98-Y101 WeakPolarHBondContact O-CB 3.49Å; P98-Y101 PolarHBondContact O-N 3.38Å; Y99-Y101 PolarHBondContact O-N 3.2Å; Y101-I107 HydrophobicContact CD1-CG2 3.75Å; Y101-I107 HydrophobicContact CD2-CG2 4.06Å; Y101-I107 HydrophobicContact CE1-CG2 4.19Å; Y101-I107 HydrophobicContact CE2-CG2 4.44Å; Y101-I107 HydrophobicContact CG-CG2 3.7Å; Y101-R108 WeakPolarHBondContact O-CG 3.44Å; Y101-Y111 HydrophobicContact CD1-CD1 4.49Å; Y101-Y111 HydrophobicContact CD1-CD2 4.18Å; Y101-Y111 HydrophobicContact CD1-CE2 4.31Å; Y101-Y111 HydrophobicContact CD1-CG 4.25Å; Y101-Y111 AromaticContact CE1-CD1 3.98Å; Y101-Y111 HydrophobicContact CE1-CD1 3.98Å; Y101-Y111 AromaticContact CE1-CD2 3.91Å; Y101-Y111 HydrophobicContact CE1-CD2 3.91Å; Y101-Y111 AromaticContact CE1-CE1 3.71Å; Y101-Y111 HydrophobicContact CE1-CE1 3.71Å; Y101-Y111 AromaticContact CE1-CE2 3.63Å; Y101-Y111 HydrophobicContact CE1-CE2 3.63Å; Y101-Y111 HydrophobicContact CE1-CG 4.06Å; Y101-Y111 AromaticContact CE1-CZ 3.53Å; Y101-Y111 AromaticContact CZ-CZ 3.99Å; Y101-Y111 PolarHBondContact OH-OH 2.9Å; Y101-I113 HydrophobicContact CD1-CD1 4.2Å; Y101-I113 WeakPolarHBondContact O-CD1 3.38Å |
| 102 | V | 92.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -95.5 | -44.4 | 176 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | M97 Y99 N100 R108 L115 V120 F122 L377 | M97-V102 HydrophobicContact CG-CG2 3.76Å; M97-V102 HydrophobicContact SD-CG2 3.54Å; M97-V102 VanDerWaalsContact SD-CG2 3.54Å; Y99-V102 PolarHBondContact O-N 3.41Å; N100-V102 VanDerWaalsContact C-N 3.26Å; N100-V102 PolarHBondContact O-N 3.1Å; V102-R108 VanDerWaalsContact O-CD 3.31Å; V102-R108 WeakPolarHBondContact O-CD 3.48Å; V102-R108 PolarHBondContact O-NH1 3.27Å; V102-L115 HydrophobicContact CG1-CD1 4.14Å; V102-V120 HydrophobicContact CG1-CG1 3.84Å; V102-F122 HydrophobicContact CB-CE1 4.2Å; V102-F122 HydrophobicContact CB-CZ 4.29Å; V102-F122 HydrophobicContact CG1-CE1 4.11Å; V102-F122 HydrophobicContact CG1-CZ 3.7Å; V102-L377 HydrophobicContact CG1-CD1 3.84Å; V102-L377 HydrophobicContact CG1-CD2 4.35Å |
| 103 | L | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -83.8 | -37.4 | -170.8 | -68.3 | 168.2 | 0 | 0 | 0 | 113.4 | Y99 P105 R108 F122 I128 V131 A135 I374 L377 | Y99-L103 HydrophobicContact CD2-CD1 4.45Å; Y99-L103 PolarHBondContact O-N 3.41Å; L103-P105 WeakPolarHBondContact O-CD 3.3Å; L103-R108 PolarHBondContact O-NH1 2.76Å; L103-F122 HydrophobicContact CD1-CE1 3.96Å; L103-F122 HydrophobicContact CD1-CZ 4.41Å; L103-F122 HydrophobicContact CD2-CE1 4.03Å; L103-F122 HydrophobicContact CD2-CZ 3.63Å; L103-F122 HydrophobicContact CG-CE1 3.82Å; L103-F122 HydrophobicContact CG-CZ 3.92Å; L103-I128 HydrophobicContact CD1-CD1 3.85Å; L103-V131 HydrophobicContact CD1-CB 4.24Å; L103-V131 HydrophobicContact CD1-CG1 3.76Å; L103-A135 HydrophobicContact CB-CB 4.45Å; L103-I374 HydrophobicContact CD2-CD1 4.23Å; L103-L377 HydrophobicContact CD2-CD2 4.32Å |
| 104 | D | 86.5 | Confident | 87.2 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -82.8 | 114.8 | -177.7 | -167.8 | -41.8 | 0 | 0 | 0 | 111 | N100 R106 I107 R108 A135 | N100-D104 WeakPolarHBondContact O-CB 3.38Å; N100-D104 PolarHBondContact O-N 3.32Å; N100-D104 VanDerWaalsContact O-N 3.13Å; D104-R106 PolarHBondContact O-N 2.98Å; D104-R106 WeakPolarHBondContact OD1-CA 3.47Å; D104-R106 WeakPolarHBondContact OD1-CB 3.47Å; D104-R106 VanDerWaalsContact OD1-CG 3.3Å; D104-R106 WeakPolarHBondContact OD1-CG 3.42Å; D104-R106 IonicContact OD1-CZ 3.48Å; D104-R106 PolarHBondContact OD1-N 3.28Å; D104-R106 IonicContact OD1-NE 2.69Å; D104-R106 PolarHBondContact OD1-NE 3.43Å; D104-R106 IonicContact OD1-NH2 2.78Å; D104-R106 IonicContact OD2-CZ 3.63Å; D104-R106 VanDerWaalsContact OD2-CZ 3.31Å; D104-R106 IonicContact OD2-NE 3.16Å; D104-R106 PolarHBondContact OD2-NE 3.09Å; D104-R106 VanDerWaalsContact OD2-NE 3.14Å; D104-R106 IonicContact OD2-NH2 3.64Å; D104-R106 PolarHBondContact OD2-NH2 3.37Å; D104-I107 HydrophobicContact CB-CB 4.14Å; D104-I107 HydrophobicContact CB-CD1 3.98Å; D104-I107 HydrophobicContact CB-CG1 3.89Å; D104-I107 PolarHBondContact O-N 2.87Å; D104-I107 VanDerWaalsContact O-N 3.15Å; D104-I107 PolarHBondContact OD1-N 3.19Å; D104-R108 PolarHBondContact O-N 3.41Å; D104-A135 HydrophobicContact CB-CB 4.28Å | ||
| 105 | P | 82.8 | Confident | 87.2 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -27.4 | -179.1 | -19.2 | 31.2 | 0 | 0 | 0 | 113.4 | L103 S109 Q376 | L103-P105 WeakPolarHBondContact O-CD 3.3Å; P105-S109 PolarHBondContact O-N 3.28Å; P105-S109 PolarHBondContact O-OG 3.29Å; P105-Q376 HydrophobicContact CG-CB 4.47Å |
| 106 | R | 77.9 | Confident | 87.2 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.1 | -38.4 | 179.8 | -48.6 | 169.1 | -75.2 | -166 | -11.6 | 110.3 | D104 S109 L110 E292 | D104-R106 PolarHBondContact O-N 2.98Å; D104-R106 WeakPolarHBondContact OD1-CA 3.47Å; D104-R106 WeakPolarHBondContact OD1-CB 3.47Å; D104-R106 VanDerWaalsContact OD1-CG 3.3Å; D104-R106 WeakPolarHBondContact OD1-CG 3.42Å; D104-R106 IonicContact OD1-CZ 3.48Å; D104-R106 PolarHBondContact OD1-N 3.28Å; D104-R106 IonicContact OD1-NE 2.69Å; D104-R106 PolarHBondContact OD1-NE 3.43Å; D104-R106 IonicContact OD1-NH2 2.78Å; D104-R106 IonicContact OD2-CZ 3.63Å; D104-R106 VanDerWaalsContact OD2-CZ 3.31Å; D104-R106 IonicContact OD2-NE 3.16Å; D104-R106 PolarHBondContact OD2-NE 3.09Å; D104-R106 VanDerWaalsContact OD2-NE 3.14Å; D104-R106 IonicContact OD2-NH2 3.64Å; D104-R106 PolarHBondContact OD2-NH2 3.37Å; R106-S109 WeakPolarHBondContact CA-OG 3.36Å; R106-S109 PolarHBondContact O-OG 3.38Å; R106-L110 VanDerWaalsContact O-CB 3.29Å; R106-L110 WeakPolarHBondContact O-CB 2.96Å; R106-L110 WeakPolarHBondContact O-CD1 3.34Å; R106-L110 WeakPolarHBondContact O-CG 3.12Å; R106-L110 PolarHBondContact O-N 3.28Å; R106-E292 WeakPolarHBondContact CD-OE2 3.43Å; R106-E292 IonicContact CZ-OE2 3.91Å; R106-E292 IonicContact NE-OE2 3.77Å; R106-E292 PolarHBondContact NE-OE2 3.15Å; R106-E292 IonicContact NH1-OE2 4Å; R106-E292 PolarHBondContact NH1-OE2 2.95Å |
| 107 | I | 82.6 | Confident | 87.2 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.8 | -38.9 | 174.4 | -54.1 | -178.4 | 0 | 0 | 0 | 110.1 | N100 Y101 D104 S109 L110 Y111 | N100-I107 HydrophobicContact CB-CD1 4.07Å; N100-I107 VanDerWaalsContact ND2-CD1 3.27Å; N100-I107 WeakPolarHBondContact ND2-CD1 3.48Å; Y101-I107 HydrophobicContact CD1-CG2 3.75Å; Y101-I107 HydrophobicContact CD2-CG2 4.06Å; Y101-I107 HydrophobicContact CE1-CG2 4.19Å; Y101-I107 HydrophobicContact CE2-CG2 4.44Å; Y101-I107 HydrophobicContact CG-CG2 3.7Å; D104-I107 HydrophobicContact CB-CB 4.14Å; D104-I107 HydrophobicContact CB-CD1 3.98Å; D104-I107 HydrophobicContact CB-CG1 3.89Å; D104-I107 PolarHBondContact O-N 2.87Å; D104-I107 VanDerWaalsContact O-N 3.15Å; D104-I107 PolarHBondContact OD1-N 3.19Å; I107-S109 PolarHBondContact O-N 3.34Å; I107-L110 PolarHBondContact O-N 2.76Å; I107-Y111 HydrophobicContact CG2-CD2 3.81Å; I107-Y111 HydrophobicContact CG2-CE2 4.01Å; I107-Y111 WeakPolarHBondContact O-CD2 3.46Å; I107-Y111 PolarHBondContact O-N 3.2Å; I107-Y111 VanDerWaalsContact O-N 3.14Å |
| 108 | R | 87.1 | Confident | 87.3 | Confident | 8 Ų | 8 | 52 Ų | 52 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.6 | -49.9 | 172.5 | -71.2 | -159.4 | -59 | -103.3 | 8.3 | 112 | Y101 V102 L103 D104 Y111 N112 I113 L115 Q376 | Y101-R108 WeakPolarHBondContact O-CG 3.44Å; V102-R108 VanDerWaalsContact O-CD 3.31Å; V102-R108 WeakPolarHBondContact O-CD 3.48Å; V102-R108 PolarHBondContact O-NH1 3.27Å; L103-R108 PolarHBondContact O-NH1 2.76Å; D104-R108 PolarHBondContact O-N 3.41Å; R108-Y111 PolarHBondContact O-N 3.23Å; R108-N112 PolarHBondContact O-N 3.39Å; R108-N112 VanDerWaalsContact O-N 3.1Å; R108-I113 HydrophobicContact CB-CB 4.41Å; R108-I113 PolarHBondContact O-N 3.48Å; R108-L115 VanDerWaalsContact CD-CD1 3.46Å; R108-Q376 PolarHBondContact NH2-O 3.12Å |
| 109 | S | 80.9 | Confident | 87.6 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 51% | 0.51 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -48.1 | 179.1 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | P105 R106 I107 Y111 N112 | P105-S109 PolarHBondContact O-N 3.28Å; P105-S109 PolarHBondContact O-OG 3.29Å; R106-S109 WeakPolarHBondContact CA-OG 3.36Å; R106-S109 PolarHBondContact O-OG 3.38Å; I107-S109 PolarHBondContact O-N 3.34Å; S109-Y111 PolarHBondContact O-N 2.97Å; S109-N112 PolarHBondContact O-N 3.08Å; S109-N112 PolarHBondContact O-OD1 2.67Å; S109-N112 VanDerWaalsContact O-OD1 3.11Å |
| 110 | L | 77.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -19 | 177.2 | -74.7 | 170.7 | 0 | 0 | 0 | 114.8 | R86 R106 I107 | R86-L110 PolarHBondContact NH2-O 3.33Å; R106-L110 VanDerWaalsContact O-CB 3.29Å; R106-L110 WeakPolarHBondContact O-CB 2.96Å; R106-L110 WeakPolarHBondContact O-CD1 3.34Å; R106-L110 WeakPolarHBondContact O-CG 3.12Å; R106-L110 PolarHBondContact O-N 3.28Å; I107-L110 PolarHBondContact O-N 2.76Å |
| 111 | Y | 81.7 | Confident | 88.1 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 9.8 | 177.5 | -75.8 | -94.9 | 0 | 0 | 0 | 114.1 | R11 Y82 R86 K89 Y101 I107 R108 S109 I113 | R11-Y111 PolarHBondContact NH1-OH 3.03Å; Y82-Y111 HydrophobicContact CE2-CE1 4.18Å; Y82-Y111 WeakPolarHBondContact OH-CE1 3.27Å; Y82-Y111 VanDerWaalsContact OH-CZ 3.3Å; Y82-Y111 PolarHBondContact OH-OH 3.45Å; R86-Y111 HydrophobicContact CG-CD1 4.13Å; R86-Y111 HydrophobicContact CG-CE1 4.16Å; K89-Y111 PolarHBondContact NZ-O 3.08Å; Y101-Y111 HydrophobicContact CD1-CD1 4.49Å; Y101-Y111 HydrophobicContact CD1-CD2 4.18Å; Y101-Y111 HydrophobicContact CD1-CE2 4.31Å; Y101-Y111 HydrophobicContact CD1-CG 4.25Å; Y101-Y111 AromaticContact CE1-CD1 3.98Å; Y101-Y111 HydrophobicContact CE1-CD1 3.98Å; Y101-Y111 AromaticContact CE1-CD2 3.91Å; Y101-Y111 HydrophobicContact CE1-CD2 3.91Å; Y101-Y111 AromaticContact CE1-CE1 3.71Å; Y101-Y111 HydrophobicContact CE1-CE1 3.71Å; Y101-Y111 AromaticContact CE1-CE2 3.63Å; Y101-Y111 HydrophobicContact CE1-CE2 3.63Å; Y101-Y111 HydrophobicContact CE1-CG 4.06Å; Y101-Y111 AromaticContact CE1-CZ 3.53Å; Y101-Y111 AromaticContact CZ-CZ 3.99Å; Y101-Y111 PolarHBondContact OH-OH 2.9Å; I107-Y111 HydrophobicContact CG2-CD2 3.81Å; I107-Y111 HydrophobicContact CG2-CE2 4.01Å; I107-Y111 WeakPolarHBondContact O-CD2 3.46Å; I107-Y111 PolarHBondContact O-N 3.2Å; I107-Y111 VanDerWaalsContact O-N 3.14Å; R108-Y111 PolarHBondContact O-N 3.23Å; S109-Y111 PolarHBondContact O-N 2.97Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 2.94Å |
| 112 | N | 85.1 | Confident | 88.4 | Confident | 138 Ų | 138 | 52.1 Ų | 52.1 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 51.2 | -176.7 | -67.9 | -8.2 | 0 | 0 | 0 | 112.4 | K89 R108 S109 N114 | K89-N112 VanDerWaalsContact NZ-C 3.33Å; K89-N112 PolarHBondContact NZ-O 3.22Å; R108-N112 PolarHBondContact O-N 3.39Å; R108-N112 VanDerWaalsContact O-N 3.1Å; S109-N112 PolarHBondContact O-N 3.08Å; S109-N112 PolarHBondContact O-OD1 2.67Å; S109-N112 VanDerWaalsContact O-OD1 3.11Å; N112-N114 PolarHBondContact O-N 2.79Å |
| 113 | I | 88 | Confident | 88.4 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | trans | -90.7 | 97.2 | -179.7 | -55.9 | 175.1 | 0 | 0 | 0 | 108.7 | K89 M97 Y101 R108 Y111 L115 | K89-I113 HydrophobicContact CD-CG1 4.44Å; M97-I113 HydrophobicContact CE-CD1 4.38Å; M97-I113 HydrophobicContact CE-CG2 4.23Å; M97-I113 HydrophobicContact SD-CD1 4.01Å; M97-I113 HydrophobicContact SD-CG2 4.49Å; Y101-I113 HydrophobicContact CD1-CD1 4.2Å; Y101-I113 WeakPolarHBondContact O-CD1 3.38Å; R108-I113 HydrophobicContact CB-CB 4.41Å; R108-I113 PolarHBondContact O-N 3.48Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 2.94Å; I113-L115 HydrophobicContact CG2-CD2 3.73Å; I113-L115 HydrophobicContact CG2-CG 4.06Å | ||
| 114 | N | 88.4 | Confident | 88.3 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | trans | -73.7 | 139.2 | 163.8 | -167.7 | 2.9 | 0 | 0 | 0 | 109.2 | N112 E116 | N112-N114 PolarHBondContact O-N 2.79Å; N114-E116 VanDerWaalsContact OD1-CB 3.23Å; N114-E116 WeakPolarHBondContact OD1-CB 3.34Å; N114-E116 PolarHBondContact OD1-N 2.81Å | ||
| 115 | L | 90.9 | Very high | 88.5 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -124.6 | 6.5 | 176.4 | -61.6 | 177.9 | 0 | 0 | 0 | 112.5 | V102 R108 I113 N117 T118 L377 Q380 V382 | V102-L115 HydrophobicContact CG1-CD1 4.14Å; R108-L115 VanDerWaalsContact CD-CD1 3.46Å; I113-L115 HydrophobicContact CG2-CD2 3.73Å; I113-L115 HydrophobicContact CG2-CG 4.06Å; L115-N117 PolarHBondContact O-N 3.17Å; L115-T118 WeakPolarHBondContact O-CB 3.48Å; L115-T118 PolarHBondContact O-N 3.09Å; L115-T118 VanDerWaalsContact O-N 3.13Å; L115-T118 PolarHBondContact O-OG1 2.79Å; L115-L377 HydrophobicContact CD1-CD1 3.55Å; L115-Q380 CarbonylContact C-O 3.55Å; L115-Q380 HydrophobicContact CB-CB 4.07Å; L115-V382 HydrophobicContact CB-CG1 3.82Å | ||
| 116 | E | 92.4 | Very high | 88.6 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 134.2 | 175.2 | -177.8 | 174.2 | -150.3 | 0 | 0 | 111.3 | N114 T118 Q380 N381 | N114-E116 VanDerWaalsContact OD1-CB 3.23Å; N114-E116 WeakPolarHBondContact OD1-CB 3.34Å; N114-E116 PolarHBondContact OD1-N 2.81Å; E116-T118 PolarHBondContact O-N 3.15Å; E116-T118 PolarHBondContact O-OG1 3.01Å; E116-Q380 VanDerWaalsContact CA-O 3.29Å; E116-Q380 WeakPolarHBondContact CA-O 3.17Å; E116-Q380 PolarHBondContact N-O 3.14Å; E116-N381 HydrophobicContact CG-CB 4.34Å |
| 117 | N | 93.9 | Very high | 89.1 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 14 | -179.1 | -160.8 | 15.1 | 0 | 0 | 0 | 114.7 | L115 N381 R383 | L115-N117 PolarHBondContact O-N 3.17Å; N117-N381 PolarHBondContact N-O 3.05Å; N117-R383 WeakPolarHBondContact O-CB 3.44Å; N117-R383 WeakPolarHBondContact OD1-CD 3.28Å |
| 118 | T | 93.7 | Very high | 89.5 | Confident | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 145.6 | -173.2 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | L115 E116 R383 | L115-T118 WeakPolarHBondContact O-CB 3.48Å; L115-T118 PolarHBondContact O-N 3.09Å; L115-T118 VanDerWaalsContact O-N 3.13Å; L115-T118 PolarHBondContact O-OG1 2.79Å; E116-T118 PolarHBondContact O-N 3.15Å; E116-T118 PolarHBondContact O-OG1 3.01Å; T118-R383 PolarHBondContact O-N 2.64Å |
| 119 | T | 95.6 | Very high | 89.8 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.5 | 167.7 | -62.8 | 0 | 0 | 0 | 0 | 109 | I121 C384 I386 | T119-I121 HydrophobicContact CG2-CG1 4.3Å; T119-C384 WeakPolarHBondContact CA-O 3.44Å; T119-C384 HydrophobicContact CG2-CB 4.04Å; T119-I386 HydrophobicContact CG2-CD1 4.06Å; T119-I386 HydrophobicContact CG2-CG1 4.49Å |
| 120 | V | 95.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.8 | 177.4 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V102 F122 V382 C384 I385 I386 | V102-V120 HydrophobicContact CG1-CG1 3.84Å; V120-F122 HydrophobicContact CG1-CD2 3.91Å; V120-F122 HydrophobicContact CG1-CE1 4.49Å; V120-F122 HydrophobicContact CG1-CE2 3.45Å; V120-F122 VanDerWaalsContact CG1-CE2 3.45Å; V120-F122 HydrophobicContact CG1-CZ 3.78Å; V120-V382 HydrophobicContact CG2-CB 4.49Å; V120-V382 HydrophobicContact CG2-CG1 3.83Å; V120-C384 PolarHBondContact N-O 2.92Å; V120-I385 WeakPolarHBondContact O-CA 3.41Å; V120-I386 PolarHBondContact O-N 3.25Å |
| 121 | I | 96.1 | Very high | 91 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 54% | 0.538 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 116.9 | 174.8 | -50.9 | -178.9 | 0 | 0 | 0 | 107.7 | T119 I386 | T119-I121 HydrophobicContact CG2-CG1 4.3Å; I121-I386 WeakPolarHBondContact CA-O 3.5Å; I121-I386 HydrophobicContact CG1-CB 4.31Å; I121-I386 HydrophobicContact CG1-CD1 4.31Å; I121-I386 HydrophobicContact CG2-CB 4.4Å; I121-I386 HydrophobicContact CG2-CG2 4.48Å |
| 122 | F | 95.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 103.7 | 169.9 | -67.1 | -81.4 | 0 | 0 | 0 | 108.2 | Y99 V102 L103 V120 A125 I128 L377 I385 I386 L387 T388 | Y99-F122 AromaticContact CD1-CD1 3.98Å; Y99-F122 HydrophobicContact CD1-CD1 3.98Å; Y99-F122 HydrophobicContact CD2-CD1 4.04Å; Y99-F122 HydrophobicContact CE1-CB 4.35Å; Y99-F122 AromaticContact CE1-CD1 3.99Å; Y99-F122 HydrophobicContact CE1-CD1 3.99Å; Y99-F122 HydrophobicContact CE2-CB 4.47Å; Y99-F122 HydrophobicContact CE2-CD1 4.02Å; Y99-F122 HydrophobicContact CG-CD1 4.01Å; Y99-F122 HydrophobicContact CG-CE1 4.38Å; Y99-F122 AromaticContact CZ-CD1 3.99Å; V102-F122 HydrophobicContact CB-CE1 4.2Å; V102-F122 HydrophobicContact CB-CZ 4.29Å; V102-F122 HydrophobicContact CG1-CE1 4.11Å; V102-F122 HydrophobicContact CG1-CZ 3.7Å; L103-F122 HydrophobicContact CD1-CE1 3.96Å; L103-F122 HydrophobicContact CD1-CZ 4.41Å; L103-F122 HydrophobicContact CD2-CE1 4.03Å; L103-F122 HydrophobicContact CD2-CZ 3.63Å; L103-F122 HydrophobicContact CG-CE1 3.82Å; L103-F122 HydrophobicContact CG-CZ 3.92Å; V120-F122 HydrophobicContact CG1-CD2 3.91Å; V120-F122 HydrophobicContact CG1-CE1 4.49Å; V120-F122 HydrophobicContact CG1-CE2 3.45Å; V120-F122 VanDerWaalsContact CG1-CE2 3.45Å; V120-F122 HydrophobicContact CG1-CZ 3.78Å; F122-A125 HydrophobicContact CB-CB 4.04Å; F122-I128 HydrophobicContact CB-CD1 4.4Å; F122-I128 HydrophobicContact CD1-CD1 3.68Å; F122-I128 HydrophobicContact CD2-CD1 4.42Å; F122-I128 HydrophobicContact CE1-CD1 3.98Å; F122-I128 HydrophobicContact CG-CD1 3.93Å; F122-I128 HydrophobicContact CZ-CD1 4.45Å; F122-L377 HydrophobicContact CE2-CD2 3.77Å; F122-L377 HydrophobicContact CZ-CD2 3.8Å; F122-I385 HydrophobicContact CD2-CG2 4.06Å; F122-I385 HydrophobicContact CE2-CG2 4.04Å; F122-I386 PolarHBondContact N-O 3.26Å; F122-L387 HydrophobicContact CB-CD2 3.74Å; F122-L387 HydrophobicContact CD2-CD2 3.7Å; F122-L387 HydrophobicContact CG-CD2 4.07Å; F122-T388 PolarHBondContact O-N 3.29Å; F122-T388 PolarHBondContact O-OG1 2.93Å |
| 123 | D | 93 | Very high | 92 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 142.5 | 177.4 | -165.5 | 36.2 | 0 | 0 | 0 | 112.1 | Y99 T388 | Y99-D123 WeakPolarHBondContact CE1-O 3.31Å; Y99-D123 VanDerWaalsContact OH-C 3.26Å; Y99-D123 PolarHBondContact OH-O 2.89Å; D123-T388 CarbonylContact C-O 3.46Å; D123-T388 WeakPolarHBondContact CA-OG1 3.45Å; D123-T388 WeakPolarHBondContact OD1-CB 3.33Å; D123-T388 PolarHBondContact OD1-OG1 3.27Å |
| 124 | E | 88.9 | Confident | 92.2 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 45 | -159 | -77.8 | -57.2 | 148.6 | 0 | 0 | 115.9 | Y99 H126 T388 S389 G390 | Y99-E124 PolarHBondContact OH-O 2.92Å; E124-H126 PolarHBondContact O-CE1 2.97Å; E124-H126 PolarHBondContact O-N 3.3Å; E124-H126 PolarHBondContact O-ND1 3.21Å; E124-H126 VanDerWaalsContact O-ND1 3.16Å; E124-H126 IonicContact OE2-CE1 2.83Å; E124-H126 PolarHBondContact OE2-CE1 2.89Å; E124-H126 IonicContact OE2-CG 3.64Å; E124-H126 IonicContact OE2-ND1 3.46Å; E124-H126 PolarHBondContact OE2-ND1 3.37Å; E124-T388 CarbonylContact C-O 3.43Å; E124-T388 VanDerWaalsContact CA-O 3.31Å; E124-T388 WeakPolarHBondContact CA-O 3.46Å; E124-T388 PolarHBondContact N-O 3.45Å; E124-S389 VanDerWaalsContact OE2-CB 3.27Å; E124-S389 WeakPolarHBondContact OE2-CB 3.45Å; E124-S389 PolarHBondContact OE2-OG 2.98Å; E124-G390 PolarHBondContact OE1-N 3.1Å |
| 125 | A | 90.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -67.7 | 21 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y99 F122 N127 I128 L387 T388 L392 | Y99-A125 WeakPolarHBondContact OH-CA 3.36Å; Y99-A125 PolarHBondContact OH-N 3.33Å; F122-A125 HydrophobicContact CB-CB 4.04Å; A125-N127 PolarHBondContact O-N 2.99Å; A125-I128 HydrophobicContact CB-CB 4.25Å; A125-I128 WeakPolarHBondContact O-CB 3.25Å; A125-I128 WeakPolarHBondContact O-CG2 3.41Å; A125-I128 PolarHBondContact O-N 3.4Å; A125-L387 HydrophobicContact CB-CB 4.11Å; A125-L387 HydrophobicContact CB-CD2 4.19Å; A125-T388 PolarHBondContact N-O 3.27Å; A125-L392 HydrophobicContact CB-CD2 4.24Å |
| 126 | H | 85.6 | Confident | 92.3 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -72.3 | -12.4 | -178.9 | 60.2 | -95.4 | 0 | 0 | 0 | 114.7 | E124 S389 T391 R610 Q614 | E124-H126 PolarHBondContact O-CE1 2.97Å; E124-H126 PolarHBondContact O-N 3.3Å; E124-H126 PolarHBondContact O-ND1 3.21Å; E124-H126 VanDerWaalsContact O-ND1 3.16Å; E124-H126 IonicContact OE2-CE1 2.83Å; E124-H126 PolarHBondContact OE2-CE1 2.89Å; E124-H126 IonicContact OE2-CG 3.64Å; E124-H126 IonicContact OE2-ND1 3.46Å; E124-H126 PolarHBondContact OE2-ND1 3.37Å; H126-S389 PolarHBondContact ND1-OG 3.35Å; H126-T391 WeakPolarHBondContact CB-OG1 3.36Å; H126-R610 PolarHBondContact O-NH1 3.44Å; H126-Q614 PolarHBondContact NE2-NE2 3.32Å |
| 127 | N | 87.6 | Confident | 92.3 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 33% | 0.326 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -114 | 13.3 | 175.6 | -72.2 | -21.9 | 0 | 0 | 0 | 112.7 | A125 E129 Q130 V131 | A125-N127 PolarHBondContact O-N 2.99Å; N127-E129 VanDerWaalsContact C-N 3.26Å; N127-E129 PolarHBondContact O-N 2.85Å; N127-Q130 PolarHBondContact O-N 2.81Å; N127-V131 PolarHBondContact O-N 2.89Å |
| 128 | I | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -35.3 | -170.8 | -170.9 | 64.1 | 0 | 0 | 0 | 112.9 | Y99 L103 F122 A125 V131 C132 I398 L402 | Y99-I128 HydrophobicContact CD2-CD1 3.84Å; Y99-I128 HydrophobicContact CE2-CD1 3.69Å; L103-I128 HydrophobicContact CD1-CD1 3.85Å; F122-I128 HydrophobicContact CB-CD1 4.4Å; F122-I128 HydrophobicContact CD1-CD1 3.68Å; F122-I128 HydrophobicContact CD2-CD1 4.42Å; F122-I128 HydrophobicContact CE1-CD1 3.98Å; F122-I128 HydrophobicContact CG-CD1 3.93Å; F122-I128 HydrophobicContact CZ-CD1 4.45Å; A125-I128 HydrophobicContact CB-CB 4.25Å; A125-I128 WeakPolarHBondContact O-CB 3.25Å; A125-I128 WeakPolarHBondContact O-CG2 3.41Å; A125-I128 PolarHBondContact O-N 3.4Å; I128-V131 PolarHBondContact O-N 2.88Å; I128-C132 WeakPolarHBondContact O-CB 2.99Å; I128-C132 PolarHBondContact O-N 2.79Å; I128-C132 PolarHBondContact O-SG 3.13Å; I128-I398 HydrophobicContact CG2-CG2 4.27Å; I128-L402 HydrophobicContact CG2-CD1 4.09Å; I128-L402 HydrophobicContact CG2-CD2 4.37Å |
| 129 | E | 92.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 178.8 | -53.4 | 96.9 | 136.9 | 0 | 0 | 111.2 | N127 V131 C132 E133 P370 L402 R610 | N127-E129 VanDerWaalsContact C-N 3.26Å; N127-E129 PolarHBondContact O-N 2.85Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 2.92Å; E129-C132 WeakPolarHBondContact O-CB 3.34Å; E129-C132 PolarHBondContact O-N 2.83Å; E129-E133 PolarHBondContact O-N 3.23Å; E129-P370 HydrophobicContact CB-CB 4.2Å; E129-P370 HydrophobicContact CB-CG 3.99Å; E129-P370 HydrophobicContact CG-CG 4.38Å; E129-P370 WeakPolarHBondContact O-CB 3.39Å; E129-L402 HydrophobicContact CG-CD2 4.09Å; E129-R610 IonicContact OE1-CZ 2.62Å; E129-R610 IonicContact OE1-NH1 3.61Å; E129-R610 PolarHBondContact OE1-NH1 3.39Å; E129-R610 IonicContact OE1-NH2 3.08Å; E129-R610 PolarHBondContact OE1-NH2 2.95Å; E129-R610 IonicContact OE2-NH1 2.7Å; E129-R610 PolarHBondContact OE2-NH1 3.13Å |
| 130 | Q | 91.9 | Very high | 92.2 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 179.6 | -178.8 | 61.7 | 52.2 | 0 | 0 | 111.5 | N127 C132 E133 D134 R565 | N127-Q130 PolarHBondContact O-N 2.81Å; Q130-C132 PolarHBondContact O-N 3.12Å; Q130-E133 PolarHBondContact O-N 2.85Å; Q130-D134 VanDerWaalsContact NE2-CG 3.27Å; Q130-D134 PolarHBondContact NE2-OD1 2.89Å; Q130-D134 VanDerWaalsContact NE2-OD1 3.14Å; Q130-D134 PolarHBondContact NE2-OD2 3Å; Q130-D134 WeakPolarHBondContact O-CB 3.42Å; Q130-D134 VanDerWaalsContact O-CG 3.28Å; Q130-D134 PolarHBondContact O-N 2.82Å; Q130-R565 VanDerWaalsContact NE2-NH2 3.11Å |
| 131 | V | 92.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -36.1 | 179.3 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | Y99 L103 N127 I128 E129 D134 A135 | Y99-V131 HydrophobicContact CD2-CB 4.46Å; Y99-V131 HydrophobicContact CD2-CG1 4.43Å; Y99-V131 HydrophobicContact CD2-CG2 4.29Å; L103-V131 HydrophobicContact CD1-CB 4.24Å; L103-V131 HydrophobicContact CD1-CG1 3.76Å; N127-V131 PolarHBondContact O-N 2.89Å; I128-V131 PolarHBondContact O-N 2.88Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 2.92Å; V131-D134 PolarHBondContact O-N 3.47Å; V131-A135 VanDerWaalsContact O-CB 3.31Å; V131-A135 WeakPolarHBondContact O-CB 3.38Å; V131-A135 PolarHBondContact O-N 2.75Å |
| 132 | C | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 174.3 | -76 | 0 | 0 | 0 | 0 | 112.9 | I128 E129 Q130 S136 P370 A373 | I128-C132 WeakPolarHBondContact O-CB 2.99Å; I128-C132 PolarHBondContact O-N 2.79Å; I128-C132 PolarHBondContact O-SG 3.13Å; E129-C132 WeakPolarHBondContact O-CB 3.34Å; E129-C132 PolarHBondContact O-N 2.83Å; Q130-C132 PolarHBondContact O-N 3.12Å; C132-S136 WeakPolarHBondContact O-CB 3.35Å; C132-S136 PolarHBondContact O-N 2.67Å; C132-S136 PolarHBondContact O-OG 3.5Å; C132-P370 HydrophobicContact CB-CB 3.4Å; C132-P370 WeakPolarHBondContact CB-O 3.49Å; C132-A373 HydrophobicContact CB-CB 3.84Å |
| 133 | E | 93.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 171.8 | -73.3 | -175.2 | -168.9 | 0 | 0 | 111.8 | E129 Q130 S136 S137 C367 P370 R565 K569 | E129-E133 PolarHBondContact O-N 3.23Å; Q130-E133 PolarHBondContact O-N 2.85Å; E133-S136 CarbonylContact O-C 3.55Å; E133-S136 WeakPolarHBondContact O-CA 3.24Å; E133-S136 WeakPolarHBondContact O-CB 2.92Å; E133-S136 PolarHBondContact O-N 3.38Å; E133-S136 VanDerWaalsContact O-N 3.08Å; E133-S137 WeakPolarHBondContact O-CB 3.12Å; E133-S137 PolarHBondContact O-N 2.82Å; E133-S137 PolarHBondContact O-OG 2.88Å; E133-C367 VanDerWaalsContact CB-O 3.32Å; E133-C367 WeakPolarHBondContact CB-O 3.45Å; E133-C367 VanDerWaalsContact CG-O 3.3Å; E133-C367 WeakPolarHBondContact CG-O 3.49Å; E133-P370 HydrophobicContact CG-CB 4.25Å; E133-R565 IonicContact OE2-CZ 3.26Å; E133-R565 IonicContact OE2-NE 3.65Å; E133-R565 IonicContact OE2-NH2 3.35Å; E133-R565 PolarHBondContact OE2-NH2 2.62Å; E133-K569 WeakPolarHBondContact OE1-CD 3.36Å; E133-K569 WeakPolarHBondContact OE1-CE 3.36Å; E133-K569 IonicContact OE1-NZ 3.62Å; E133-K569 PolarHBondContact OE1-NZ 2.83Å |
| 134 | D | 92 | Very high | 91.6 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.1 | -39.3 | -178.3 | -71.8 | -27 | 0 | 0 | 0 | 112.5 | Q130 V131 S136 S137 R565 | Q130-D134 VanDerWaalsContact NE2-CG 3.27Å; Q130-D134 PolarHBondContact NE2-OD1 2.89Å; Q130-D134 VanDerWaalsContact NE2-OD1 3.14Å; Q130-D134 PolarHBondContact NE2-OD2 3Å; Q130-D134 WeakPolarHBondContact O-CB 3.42Å; Q130-D134 VanDerWaalsContact O-CG 3.28Å; Q130-D134 PolarHBondContact O-N 2.82Å; V131-D134 PolarHBondContact O-N 3.47Å; D134-S136 PolarHBondContact O-N 2.84Å; D134-S137 PolarHBondContact O-N 2.82Å; D134-S137 VanDerWaalsContact O-N 3.16Å; D134-R565 IonicContact OD1-CZ 2.78Å; D134-R565 IonicContact OD1-NH1 3.4Å; D134-R565 PolarHBondContact OD1-NH1 3.14Å; D134-R565 IonicContact OD1-NH2 2.95Å; D134-R565 PolarHBondContact OD1-NH2 2.58Å |
| 135 | A | 89.5 | Confident | 91.8 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -26 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L103 D104 V131 | L103-A135 HydrophobicContact CB-CB 4.45Å; D104-A135 HydrophobicContact CB-CB 4.28Å; V131-A135 VanDerWaalsContact O-CB 3.31Å; V131-A135 WeakPolarHBondContact O-CB 3.38Å; V131-A135 PolarHBondContact O-N 2.75Å |
| 136 | S | 90.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -3.6 | 177.1 | -54 | 0 | 0 | 0 | 0 | 113.5 | C132 E133 D134 Y326 | C132-S136 WeakPolarHBondContact O-CB 3.35Å; C132-S136 PolarHBondContact O-N 2.67Å; C132-S136 PolarHBondContact O-OG 3.5Å; E133-S136 CarbonylContact O-C 3.55Å; E133-S136 WeakPolarHBondContact O-CA 3.24Å; E133-S136 WeakPolarHBondContact O-CB 2.92Å; E133-S136 PolarHBondContact O-N 3.38Å; E133-S136 VanDerWaalsContact O-N 3.08Å; D134-S136 PolarHBondContact O-N 2.84Å; S136-Y326 WeakPolarHBondContact O-CE1 3.42Å; S136-Y326 PolarHBondContact O-OH 3.3Å |
| 137 | S | 93.2 | Very high | 92.1 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | trans | -110.1 | 160.5 | -172.7 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | E133 D134 Y365 C367 | E133-S137 WeakPolarHBondContact O-CB 3.12Å; E133-S137 PolarHBondContact O-N 2.82Å; E133-S137 PolarHBondContact O-OG 2.88Å; D134-S137 PolarHBondContact O-N 2.82Å; D134-S137 VanDerWaalsContact O-N 3.16Å; S137-Y365 WeakPolarHBondContact CA-O 3.44Å; S137-C367 PolarHBondContact OG-N 3.17Å | ||
| 138 | V | 93 | Very high | 92.3 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.3 | 174.2 | 70.7 | 0 | 0 | 0 | 0 | 112 | F293 T296 Y365 | V138-F293 HydrophobicContact CB-CD2 4.41Å; V138-F293 HydrophobicContact CG1-CD2 3.57Å; V138-F293 HydrophobicContact CG1-CE2 3.99Å; V138-F293 HydrophobicContact CG1-CG 4.24Å; V138-F293 HydrophobicContact CG2-CB 4.22Å; V138-F293 HydrophobicContact CG2-CD2 4.12Å; V138-T296 HydrophobicContact CB-CG2 3.92Å; V138-T296 HydrophobicContact CG1-CG2 3.74Å; V138-Y365 HydrophobicContact CG1-CD1 4.47Å; V138-Y365 PolarHBondContact N-O 3.49Å; V138-Y365 PolarHBondContact O-N 2.78Å |
| 139 | T | 94.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 22.1 Ų | 22.1 | 35% | 0.35 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 125.4 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | I363 S364 | T139-I363 CarbonylContact C-O 3.41Å; T139-I363 VanDerWaalsContact CA-O 3.27Å; T139-I363 WeakPolarHBondContact CA-O 3.44Å; T139-S364 VanDerWaalsContact CG2-OG 3.31Å; T139-S364 WeakPolarHBondContact CG2-OG 3.43Å; T139-S364 WeakPolarHBondContact OG1-CA 3.33Å; T139-S364 WeakPolarHBondContact OG1-CB 3.4Å; T139-S364 PolarHBondContact OG1-OG 2.91Å |
| 140 | L | 94.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 150 | 170.5 | -177 | 61.2 | 0 | 0 | 0 | 108.9 | L144 L145 V290 F293 T362 I363 | L140-L144 HydrophobicContact CD1-CB 4.28Å; L140-L145 HydrophobicContact CD1-CB 4.49Å; L140-L145 HydrophobicContact CD2-CB 4.46Å; L140-V290 HydrophobicContact CD1-CG2 3.87Å; L140-V290 HydrophobicContact CD2-CG2 4.42Å; L140-F293 HydrophobicContact CB-CB 4.37Å; L140-F293 HydrophobicContact CB-CD2 3.53Å; L140-F293 HydrophobicContact CB-CE2 3.89Å; L140-F293 HydrophobicContact CB-CG 3.92Å; L140-F293 HydrophobicContact CD2-CD1 4.36Å; L140-F293 HydrophobicContact CD2-CG 4.35Å; L140-T362 WeakPolarHBondContact O-CA 3.32Å; L140-I363 PolarHBondContact N-O 2.98Å; L140-I363 PolarHBondContact O-N 2.88Å |
| 141 | S | 93.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 20.2 Ų | 20.2 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.2 | 172.7 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | A143 L144 L145 R361 | S141-A143 PolarHBondContact O-N 3.29Å; S141-L144 WeakPolarHBondContact O-CA 3.11Å; S141-L144 WeakPolarHBondContact O-CB 3.42Å; S141-L144 PolarHBondContact O-N 3.5Å; S141-L144 WeakPolarHBondContact OG-CG 3.39Å; S141-L145 PolarHBondContact O-N 3.5Å; S141-R361 CarbonylContact C-O 3.56Å; S141-R361 WeakPolarHBondContact CA-O 3.48Å |
| 142 | S | 92.3 | Very high | 92 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.6 | -40.3 | 179.6 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | L144 L145 A146 N360 R361 | S142-L144 VanDerWaalsContact C-N 3.31Å; S142-L144 PolarHBondContact O-N 3.49Å; S142-L145 PolarHBondContact O-N 3.33Å; S142-A146 VanDerWaalsContact O-CB 3.3Å; S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3.32Å; S142-N360 PolarHBondContact N-OD1 2.91Å; S142-N360 PolarHBondContact OG-OD1 3.38Å; S142-R361 PolarHBondContact N-O 2.94Å; S142-R361 PolarHBondContact OG-N 2.94Å; S142-R361 VanDerWaalsContact OG-N 3.09Å; S142-R361 PolarHBondContact OG-O 3.15Å |
| 143 | A | 90.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 19.5 Ų | 19.5 | 39% | 0.388 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.6 | -32.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | S141 S147 N360 | S141-A143 PolarHBondContact O-N 3.29Å; A143-S147 VanDerWaalsContact O-CB 3.3Å; A143-S147 WeakPolarHBondContact O-CB 3.48Å; A143-S147 PolarHBondContact O-N 2.87Å; A143-N360 PolarHBondContact N-OD1 3.3Å; A143-N360 VanDerWaalsContact N-OD1 3.16Å |
| 144 | L | 90.2 | Very high | 91.6 | Very high | 22 Ų | 22 | 20.5 Ų | 20.5 | 12% | 0.115 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -81.8 | -36.1 | 176.2 | -69.6 | 172.6 | 0 | 0 | 0 | 112.2 | L140 S141 S142 S147 A148 K285 G286 E289 | L140-L144 HydrophobicContact CD1-CB 4.28Å; S141-L144 WeakPolarHBondContact O-CA 3.11Å; S141-L144 WeakPolarHBondContact O-CB 3.42Å; S141-L144 PolarHBondContact O-N 3.5Å; S141-L144 WeakPolarHBondContact OG-CG 3.39Å; S142-L144 VanDerWaalsContact C-N 3.31Å; S142-L144 PolarHBondContact O-N 3.49Å; L144-S147 CarbonylContact O-C 3.59Å; L144-S147 PolarHBondContact O-N 2.69Å; L144-A148 PolarHBondContact O-N 1.83Å; L144-K285 HydrophobicContact CD2-CD 4.19Å; L144-K285 HydrophobicContact CD2-CG 4.15Å; L144-G286 WeakPolarHBondContact O-CA 3.4Å; L144-E289 HydrophobicContact CD1-CB 4.06Å; L144-E289 HydrophobicContact CD1-CG 3.91Å; L144-E289 HydrophobicContact CD2-CG 4.28Å |
| 145 | L | 94 | Very high | 91.3 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 174.2 | -179.8 | 57.4 | 0 | 0 | 0 | 111.3 | L140 S141 S142 S147 A148 I149 L221 L224 E225 I228 V290 | L140-L145 HydrophobicContact CD1-CB 4.49Å; L140-L145 HydrophobicContact CD2-CB 4.46Å; S141-L145 PolarHBondContact O-N 3.5Å; S142-L145 PolarHBondContact O-N 3.33Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.44Å; L145-A148 WeakPolarHBondContact O-CA 3.32Å; L145-A148 VanDerWaalsContact O-CB 3.28Å; L145-A148 WeakPolarHBondContact O-CB 3.43Å; L145-A148 PolarHBondContact O-N 2.73Å; L145-I149 HydrophobicContact CD1-CD1 4.49Å; L145-I149 HydrophobicContact CG-CD1 4.23Å; L145-I149 WeakPolarHBondContact O-CG1 3.21Å; L145-I149 PolarHBondContact O-N 3.23Å; L145-L221 HydrophobicContact CD1-CB 4.15Å; L145-L221 HydrophobicContact CD1-CD2 3.97Å; L145-L224 HydrophobicContact CD1-CD2 4.45Å; L145-L224 HydrophobicContact CD2-CD2 4.41Å; L145-L224 HydrophobicContact CD2-CG 4.15Å; L145-E225 HydrophobicContact CD2-CB 3.91Å; L145-E225 HydrophobicContact CG-CB 4.39Å; L145-I228 HydrophobicContact CD2-CD1 3.83Å; L145-V290 HydrophobicContact CD1-CG2 4.05Å |
| 146 | A | 92.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 15% | 0.149 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.3 | -41 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S142 A148 I149 E150 E225 | S142-A146 VanDerWaalsContact O-CB 3.3Å; S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3.32Å; A146-A148 PolarHBondContact O-N 3.09Å; A146-I149 PolarHBondContact O-N 3.25Å; A146-E150 WeakPolarHBondContact O-CB 3.45Å; A146-E150 PolarHBondContact O-N 3.05Å; A146-E225 WeakPolarHBondContact CB-OE1 3.41Å |
| 147 | S | 90.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 27% | 0.266 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67 | -20.8 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 113.6 | A143 L144 L145 H151 | A143-S147 VanDerWaalsContact O-CB 3.3Å; A143-S147 WeakPolarHBondContact O-CB 3.48Å; A143-S147 PolarHBondContact O-N 2.87Å; L144-S147 CarbonylContact O-C 3.59Å; L144-S147 PolarHBondContact O-N 2.69Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.44Å; S147-H151 WeakPolarHBondContact O-CB 3.47Å; S147-H151 PolarHBondContact O-N 3.22Å |
| 148 | A | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -79.9 | -45.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | L144 L145 A146 E150 H151 V152 L221 L287 V290 | L144-A148 PolarHBondContact O-N 1.83Å; L145-A148 WeakPolarHBondContact O-CA 3.32Å; L145-A148 VanDerWaalsContact O-CB 3.28Å; L145-A148 WeakPolarHBondContact O-CB 3.43Å; L145-A148 PolarHBondContact O-N 2.73Å; A146-A148 PolarHBondContact O-N 3.09Å; A148-E150 PolarHBondContact O-N 3.4Å; A148-H151 WeakPolarHBondContact O-CB 3.2Å; A148-H151 PolarHBondContact O-N 3.02Å; A148-V152 WeakPolarHBondContact O-CG2 3.17Å; A148-V152 PolarHBondContact O-N 2.84Å; A148-L221 HydrophobicContact CB-CD1 4.15Å; A148-L287 HydrophobicContact CB-CD1 4.18Å; A148-V290 HydrophobicContact CB-CG2 3.85Å |
| 149 | I | 93.9 | Very high | 89.9 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 7% | 0.072 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 178.4 | -65.9 | 162.7 | 0 | 0 | 0 | 111 | L145 A146 H151 V152 K153 K218 L221 I222 E225 | L145-I149 HydrophobicContact CD1-CD1 4.49Å; L145-I149 HydrophobicContact CG-CD1 4.23Å; L145-I149 WeakPolarHBondContact O-CG1 3.21Å; L145-I149 PolarHBondContact O-N 3.23Å; A146-I149 PolarHBondContact O-N 3.25Å; I149-H151 VanDerWaalsContact C-N 3.34Å; I149-V152 PolarHBondContact O-N 3.37Å; I149-K153 PolarHBondContact O-N 3.28Å; I149-K218 HydrophobicContact CG2-CG 4.47Å; I149-L221 HydrophobicContact CD1-CB 4.35Å; I149-L221 HydrophobicContact CG1-CB 3.66Å; I149-I222 HydrophobicContact CD1-CG1 4.06Å; I149-I222 HydrophobicContact CG1-CG1 4.2Å; I149-I222 HydrophobicContact CG2-CD1 3.97Å; I149-I222 HydrophobicContact CG2-CG1 3.6Å; I149-E225 HydrophobicContact CD1-CB 3.92Å; I149-E225 HydrophobicContact CD1-CG 4.42Å |
| 150 | E | 90.7 | Very high | 89.4 | Confident | 36 Ų | 36 | 17.7 Ų | 17.7 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.9 | -34.5 | 178.6 | -169.8 | 61.4 | -158.5 | 0 | 0 | 111.8 | A146 A148 K153 C154 | A146-E150 WeakPolarHBondContact O-CB 3.45Å; A146-E150 PolarHBondContact O-N 3.05Å; A148-E150 PolarHBondContact O-N 3.4Å; E150-K153 WeakPolarHBondContact O-CB 3.37Å; E150-K153 PolarHBondContact O-N 2.7Å; E150-K153 IonicContact OE1-NZ 3.05Å; E150-K153 PolarHBondContact OE1-NZ 3.19Å; E150-K153 WeakPolarHBondContact OE2-CD 3.16Å; E150-K153 IonicContact OE2-NZ 3.25Å; E150-C154 PolarHBondContact O-N 2.86Å; E150-C154 PolarHBondContact O-SG 2.83Å; E150-C154 VanDerWaalsContact O-SG 3.38Å |
| 151 | H | 87.7 | Confident | 88.7 | Confident | 8 Ų | 8 | 21.1 Ų | 21.1 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 174.5 | 178.9 | -107.2 | 0 | 0 | 0 | 111.9 | S147 A148 I149 K153 C154 V155 I281 | S147-H151 WeakPolarHBondContact O-CB 3.47Å; S147-H151 PolarHBondContact O-N 3.22Å; A148-H151 WeakPolarHBondContact O-CB 3.2Å; A148-H151 PolarHBondContact O-N 3.02Å; I149-H151 VanDerWaalsContact C-N 3.34Å; H151-K153 VanDerWaalsContact C-N 3.33Å; H151-K153 PolarHBondContact O-N 3.4Å; H151-C154 PolarHBondContact O-N 3.33Å; H151-V155 VanDerWaalsContact O-CG2 3.28Å; H151-V155 WeakPolarHBondContact O-CG2 3.24Å; H151-V155 PolarHBondContact O-N 2.92Å; H151-V155 VanDerWaalsContact O-N 3.1Å; H151-I281 PolarHBondContact CD2-O 2.68Å; H151-I281 PolarHBondContact NE2-O 3.12Å; H151-I281 VanDerWaalsContact NE2-O 3.09Å |
| 152 | V | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 111 | A148 I149 C154 V155 C156 M214 L217 K218 I269 L287 | A148-V152 WeakPolarHBondContact O-CG2 3.17Å; A148-V152 PolarHBondContact O-N 2.84Å; I149-V152 PolarHBondContact O-N 3.37Å; V152-C154 PolarHBondContact O-N 3.2Å; V152-V155 PolarHBondContact O-N 3.12Å; V152-C156 PolarHBondContact O-N 3.1Å; V152-C156 PolarHBondContact O-SG 2.82Å; V152-M214 HydrophobicContact CG1-CB 4.3Å; V152-M214 WeakPolarHBondContact CG1-O 3.39Å; V152-L217 HydrophobicContact CG2-CD2 4.25Å; V152-K218 HydrophobicContact CG1-CB 3.94Å; V152-I269 HydrophobicContact CG1-CD1 4.29Å; V152-I269 HydrophobicContact CG2-CD1 4.17Å; V152-L287 HydrophobicContact CG2-CD1 3.68Å; V152-L287 HydrophobicContact CG2-CD2 4.48Å |
| 153 | K | 90.6 | Very high | 86.9 | Confident | 24 Ų | 24 | 24.9 Ų | 24.9 | 10% | 0.104 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.4 | -53.7 | 172.3 | 174.9 | -165.5 | 150.1 | -153.7 | 0 | 111.5 | I149 E150 H151 V155 C156 E157 K218 | I149-K153 PolarHBondContact O-N 3.28Å; E150-K153 WeakPolarHBondContact O-CB 3.37Å; E150-K153 PolarHBondContact O-N 2.7Å; E150-K153 IonicContact OE1-NZ 3.05Å; E150-K153 PolarHBondContact OE1-NZ 3.19Å; E150-K153 WeakPolarHBondContact OE2-CD 3.16Å; E150-K153 IonicContact OE2-NZ 3.25Å; H151-K153 VanDerWaalsContact C-N 3.33Å; H151-K153 PolarHBondContact O-N 3.4Å; K153-V155 VanDerWaalsContact C-N 3.26Å; K153-V155 PolarHBondContact O-N 2.78Å; K153-C156 WeakPolarHBondContact O-CB 3.45Å; K153-C156 PolarHBondContact O-N 2.97Å; K153-C156 VanDerWaalsContact O-N 3.17Å; K153-E157 WeakPolarHBondContact CE-OE1 3.32Å; K153-E157 WeakPolarHBondContact CG-OE1 3.19Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.11Å; K153-K218 HydrophobicContact CB-CD 4.42Å |
| 154 | C | 87.6 | Confident | 86.1 | Confident | 25 Ų | 25 | 27.5 Ų | 27.5 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -32.5 | -178.9 | -69.1 | 0 | 0 | 0 | 0 | 113.3 | E150 H151 V152 V158 | E150-C154 PolarHBondContact O-N 2.86Å; E150-C154 PolarHBondContact O-SG 2.83Å; E150-C154 VanDerWaalsContact O-SG 3.38Å; H151-C154 PolarHBondContact O-N 3.33Å; V152-C154 PolarHBondContact O-N 3.2Å; C154-V158 WeakPolarHBondContact O-CG2 3.47Å; C154-V158 PolarHBondContact O-N 3.17Å |
| 155 | V | 85.7 | Confident | 85 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -47.6 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | H151 V152 K153 E157 V158 V159 L209 M214 I269 F272 I281 | H151-V155 VanDerWaalsContact O-CG2 3.28Å; H151-V155 WeakPolarHBondContact O-CG2 3.24Å; H151-V155 PolarHBondContact O-N 2.92Å; H151-V155 VanDerWaalsContact O-N 3.1Å; V152-V155 PolarHBondContact O-N 3.12Å; K153-V155 VanDerWaalsContact C-N 3.26Å; K153-V155 PolarHBondContact O-N 2.78Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 2.94Å; V155-V158 PolarHBondContact O-N 3.35Å; V155-V159 WeakPolarHBondContact O-CG2 3.33Å; V155-V159 PolarHBondContact O-N 3.4Å; V155-L209 HydrophobicContact CG1-CD1 4.09Å; V155-M214 HydrophobicContact CB-SD 4.46Å; V155-M214 HydrophobicContact CG1-CE 4.43Å; V155-M214 HydrophobicContact CG1-SD 3.6Å; V155-M214 VanDerWaalsContact CG1-SD 3.6Å; V155-I269 HydrophobicContact CB-CG2 4.47Å; V155-I269 HydrophobicContact CG1-CG1 4.37Å; V155-I269 HydrophobicContact CG1-CG2 4.3Å; V155-I269 HydrophobicContact CG2-CG2 3.77Å; V155-F272 HydrophobicContact CG1-CD1 3.88Å; V155-F272 HydrophobicContact CG1-CE1 3.96Å; V155-I281 HydrophobicContact CG2-CG2 3.43Å; V155-I281 VanDerWaalsContact CG2-CG2 3.43Å |
| 156 | C | 87.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.2 | -43.5 | 175.9 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | V152 K153 V159 L160 M214 L804 | V152-C156 PolarHBondContact O-N 3.1Å; V152-C156 PolarHBondContact O-SG 2.82Å; K153-C156 WeakPolarHBondContact O-CB 3.45Å; K153-C156 PolarHBondContact O-N 2.97Å; K153-C156 VanDerWaalsContact O-N 3.17Å; C156-V159 PolarHBondContact O-N 3.06Å; C156-L160 VanDerWaalsContact O-CB 3.28Å; C156-L160 WeakPolarHBondContact O-CB 3.27Å; C156-L160 WeakPolarHBondContact O-CD1 3.42Å; C156-L160 VanDerWaalsContact O-CG 3.29Å; C156-L160 WeakPolarHBondContact O-CG 3.26Å; C156-L160 PolarHBondContact O-N 3.14Å; C156-M214 VanDerWaalsContact SG-CB 3.53Å; C156-L804 HydrophobicContact CB-CD2 4.35Å |
| 157 | E | 85.3 | Confident | 81.9 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 178.5 | -72 | 170.6 | 171.7 | 0 | 0 | 111.4 | K153 V155 V159 L160 D161 L804 | K153-E157 WeakPolarHBondContact CE-OE1 3.32Å; K153-E157 WeakPolarHBondContact CG-OE1 3.19Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.11Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 2.94Å; E157-V159 PolarHBondContact O-N 3.03Å; E157-L160 PolarHBondContact O-N 3.13Å; E157-D161 PolarHBondContact O-N 3.49Å; E157-L804 HydrophobicContact CG-CD2 3.98Å |
| 158 | V | 83.4 | Confident | 80.4 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.7 | -36.1 | -178.6 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | C154 V155 D161 H162 F272 I281 | C154-V158 WeakPolarHBondContact O-CG2 3.47Å; C154-V158 PolarHBondContact O-N 3.17Å; V155-V158 PolarHBondContact O-N 3.35Å; V158-D161 PolarHBondContact O-N 2.89Å; V158-H162 PolarHBondContact O-N 3.23Å; V158-H162 VanDerWaalsContact O-N 3.16Å; V158-H162 PolarHBondContact O-ND1 3.38Å; V158-F272 HydrophobicContact CG1-CZ 4.25Å; V158-I281 HydrophobicContact CB-CD1 4Å; V158-I281 HydrophobicContact CG1-CD1 4.05Å; V158-I281 HydrophobicContact CG2-CD1 3.82Å; V158-I281 HydrophobicContact CG2-CG1 4.26Å |
| 159 | V | 82.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.8 | -38.6 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | V155 C156 E157 D161 T163 I206 L209 I211 M214 F272 | V155-V159 WeakPolarHBondContact O-CG2 3.33Å; V155-V159 PolarHBondContact O-N 3.4Å; C156-V159 PolarHBondContact O-N 3.06Å; E157-V159 PolarHBondContact O-N 3.03Å; V159-D161 VanDerWaalsContact C-N 3.34Å; V159-T163 PolarHBondContact O-N 3.47Å; V159-T163 VanDerWaalsContact O-N 3.16Å; V159-T163 PolarHBondContact O-OG1 2.91Å; V159-I206 HydrophobicContact CG1-CG2 4.21Å; V159-L209 HydrophobicContact CG2-CB 4.47Å; V159-L209 HydrophobicContact CG2-CD1 3.83Å; V159-I211 HydrophobicContact CG1-CD1 3.91Å; V159-I211 HydrophobicContact CG1-CG1 3.66Å; V159-M214 HydrophobicContact CB-CE 4.19Å; V159-M214 HydrophobicContact CG1-CE 4.22Å; V159-M214 HydrophobicContact CG2-CE 4.13Å; V159-F272 HydrophobicContact CG2-CE1 4.24Å; V159-F272 HydrophobicContact CG2-CZ 4.1Å |
| 160 | L | 82.5 | Confident | 76.8 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -28.9 | 175.6 | -79.1 | 166 | 0 | 0 | 0 | 113.2 | C156 E157 T163 K164 I211 L804 | C156-L160 VanDerWaalsContact O-CB 3.28Å; C156-L160 WeakPolarHBondContact O-CB 3.27Å; C156-L160 WeakPolarHBondContact O-CD1 3.42Å; C156-L160 VanDerWaalsContact O-CG 3.29Å; C156-L160 WeakPolarHBondContact O-CG 3.26Å; C156-L160 PolarHBondContact O-N 3.14Å; E157-L160 PolarHBondContact O-N 3.13Å; L160-T163 WeakPolarHBondContact CA-OG1 3.24Å; L160-T163 PolarHBondContact O-OG1 2.81Å; L160-K164 WeakPolarHBondContact O-CD 3.42Å; L160-K164 WeakPolarHBondContact O-CE 3.44Å; L160-K164 VanDerWaalsContact O-CG 3.28Å; L160-K164 WeakPolarHBondContact O-CG 3.49Å; L160-K164 PolarHBondContact O-N 3.06Å; L160-I211 HydrophobicContact CD2-CD1 3.89Å; L160-I211 HydrophobicContact CD2-CG2 4.43Å; L160-I211 HydrophobicContact CG-CD1 4.3Å; L160-L804 HydrophobicContact CD1-CD1 3.7Å |
| 161 | D | 80.7 | Confident | 75.1 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -77 | -42.4 | 176 | -68.8 | -20.3 | 0 | 0 | 0 | 111.3 | E157 V158 V159 T163 K164 E165 | E157-D161 PolarHBondContact O-N 3.49Å; V158-D161 PolarHBondContact O-N 2.89Å; V159-D161 VanDerWaalsContact C-N 3.34Å; D161-T163 VanDerWaalsContact C-N 3.33Å; D161-T163 PolarHBondContact O-N 2.75Å; D161-K164 PolarHBondContact O-N 2.91Å; D161-K164 IonicContact OD1-NZ 3.59Å; D161-K164 PolarHBondContact OD1-NZ 2.92Å; D161-E165 PolarHBondContact O-N 2.72Å |
| 162 | H | 75.5 | Confident | 73.2 | Confident | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.292 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 174.9 | -77.1 | 75.6 | 0 | 0 | 0 | 113.2 | V158 K164 E165 Q166 I206 | V158-H162 PolarHBondContact O-N 3.23Å; V158-H162 VanDerWaalsContact O-N 3.16Å; V158-H162 PolarHBondContact O-ND1 3.38Å; H162-K164 VanDerWaalsContact C-N 3.33Å; H162-K164 PolarHBondContact O-N 3.26Å; H162-E165 PolarHBondContact O-N 3.15Å; H162-Q166 WeakPolarHBondContact O-CG 3.39Å; H162-Q166 PolarHBondContact O-N 2.87Å; H162-I206 HydrophobicContact CB-CD1 3.96Å; H162-I206 WeakPolarHBondContact CD2-CD1 3.48Å |
| 163 | T | 73.1 | Confident | 71.2 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71 | -26.6 | 178.7 | 44.9 | 0 | 0 | 0 | 0 | 113 | V159 L160 D161 Q167 | V159-T163 PolarHBondContact O-N 3.47Å; V159-T163 VanDerWaalsContact O-N 3.16Å; V159-T163 PolarHBondContact O-OG1 2.91Å; L160-T163 WeakPolarHBondContact CA-OG1 3.24Å; L160-T163 PolarHBondContact O-OG1 2.81Å; D161-T163 VanDerWaalsContact C-N 3.33Å; D161-T163 PolarHBondContact O-N 2.75Å; T163-Q167 WeakPolarHBondContact O-CG 3.5Å; T163-Q167 PolarHBondContact O-N 3.3Å |
| 164 | K | 72.8 | Confident | 69.1 | Low | 101 Ų | 101 | 73.9 Ų | 73.9 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.3 | -46.8 | 168.7 | -64.5 | 161.8 | -154.8 | 153.3 | 0 | 111.3 | L160 D161 H162 Q166 Q167 E168 | L160-K164 WeakPolarHBondContact O-CD 3.42Å; L160-K164 WeakPolarHBondContact O-CE 3.44Å; L160-K164 VanDerWaalsContact O-CG 3.28Å; L160-K164 WeakPolarHBondContact O-CG 3.49Å; L160-K164 PolarHBondContact O-N 3.06Å; D161-K164 PolarHBondContact O-N 2.91Å; D161-K164 IonicContact OD1-NZ 3.59Å; D161-K164 PolarHBondContact OD1-NZ 2.92Å; H162-K164 VanDerWaalsContact C-N 3.33Å; H162-K164 PolarHBondContact O-N 3.26Å; K164-Q166 VanDerWaalsContact C-N 3.26Å; K164-Q166 PolarHBondContact O-N 2.72Å; K164-Q167 PolarHBondContact O-N 2.91Å; K164-E168 PolarHBondContact O-N 2.9Å |
| 165 | E | 66.5 | Low | 66.7 | Low | 114 Ų | 114 | 80.2 Ų | 80.2 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.7 | -41 | 179.1 | -72.6 | 177.9 | -179 | 0 | 0 | 111.3 | D161 H162 E168 I169 | D161-E165 PolarHBondContact O-N 2.72Å; H162-E165 PolarHBondContact O-N 3.15Å; E165-E168 PolarHBondContact O-N 2.89Å; E165-I169 WeakPolarHBondContact O-CD1 3.45Å; E165-I169 VanDerWaalsContact O-CG1 3.22Å; E165-I169 WeakPolarHBondContact O-CG1 3.27Å; E165-I169 PolarHBondContact O-N 2.92Å |
| 166 | Q | 63.1 | Low | 64.3 | Low | 96 Ų | 96 | 85.6 Ų | 85.6 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 172.7 | -74.2 | 180 | -26.7 | 0 | 0 | 113 | H162 K164 I169 E170 | H162-Q166 WeakPolarHBondContact O-CG 3.39Å; H162-Q166 PolarHBondContact O-N 2.87Å; K164-Q166 VanDerWaalsContact C-N 3.26Å; K164-Q166 PolarHBondContact O-N 2.72Å; Q166-I169 PolarHBondContact O-N 3.35Å; Q166-E170 PolarHBondContact O-N 2.86Å; Q166-E170 VanDerWaalsContact O-N 3.12Å |
| 167 | Q | 59.6 | Low | 61.6 | Low | 127 Ų | 127 | 93 Ų | 93 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | 179 | -71.8 | 176.5 | 6 | 0 | 0 | 112.7 | T163 K164 I169 E170 L171 | T163-Q167 WeakPolarHBondContact O-CG 3.5Å; T163-Q167 PolarHBondContact O-N 3.3Å; K164-Q167 PolarHBondContact O-N 2.91Å; Q167-I169 VanDerWaalsContact C-N 3.34Å; Q167-E170 PolarHBondContact O-N 2.89Å; Q167-L171 VanDerWaalsContact O-CG 3.32Å; Q167-L171 WeakPolarHBondContact O-CG 3.29Å; Q167-L171 PolarHBondContact O-N 2.97Å; Q167-L171 VanDerWaalsContact O-N 3.08Å |
| 168 | E | 58.1 | Low | 59.2 | Low | 139 Ų | 139 | 95.8 Ų | 95.8 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -35.4 | 175.7 | -70.6 | -174.2 | -178.2 | 0 | 0 | 111.9 | K164 E165 L171 S172 | K164-E168 PolarHBondContact O-N 2.9Å; E165-E168 PolarHBondContact O-N 2.89Å; E168-L171 PolarHBondContact O-N 3.23Å; E168-S172 WeakPolarHBondContact O-CB 3.36Å; E168-S172 PolarHBondContact O-N 2.95Å |
| 169 | I | 57.7 | Low | 56.7 | Low | 101 Ų | 101 | 101.9 Ų | 101.9 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 173.4 | -70 | 164.2 | 0 | 0 | 0 | 111 | E165 Q166 Q167 L171 S172 D173 | E165-I169 WeakPolarHBondContact O-CD1 3.45Å; E165-I169 VanDerWaalsContact O-CG1 3.22Å; E165-I169 WeakPolarHBondContact O-CG1 3.27Å; E165-I169 PolarHBondContact O-N 2.92Å; Q166-I169 PolarHBondContact O-N 3.35Å; Q167-I169 VanDerWaalsContact C-N 3.34Å; I169-L171 VanDerWaalsContact C-N 3.28Å; I169-L171 PolarHBondContact O-N 2.8Å; I169-S172 PolarHBondContact O-N 3.04Å; I169-S172 PolarHBondContact O-OG 2.7Å; I169-D173 PolarHBondContact O-N 3.11Å; I169-D173 VanDerWaalsContact O-N 3.12Å |
| 170 | E | 52.3 | Low | 54.4 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.5 | -35.3 | 178.1 | -70.7 | -168.1 | 149 | 0 | 0 | 113 | Q166 Q167 S172 S174 | Q166-E170 PolarHBondContact O-N 2.86Å; Q166-E170 VanDerWaalsContact O-N 3.12Å; Q167-E170 PolarHBondContact O-N 2.89Å; E170-S172 VanDerWaalsContact C-N 3.35Å; E170-S174 PolarHBondContact O-OG 3.42Å |
| 171 | L | 53.8 | Low | 52.1 | Low | 128 Ų | 128 | 115.8 Ų | 115.8 | 67% | 0.67 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.1 | -30.7 | 173.6 | -73.3 | 166.8 | 0 | 0 | 0 | 112.7 | Q167 E168 I169 | Q167-L171 VanDerWaalsContact O-CG 3.32Å; Q167-L171 WeakPolarHBondContact O-CG 3.29Å; Q167-L171 PolarHBondContact O-N 2.97Å; Q167-L171 VanDerWaalsContact O-N 3.08Å; E168-L171 PolarHBondContact O-N 3.23Å; I169-L171 VanDerWaalsContact C-N 3.28Å; I169-L171 PolarHBondContact O-N 2.8Å |
| 172 | S | 49.3 | Very low | 49.8 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.8 | -42.3 | -179.8 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | E168 I169 E170 S174 N175 | E168-S172 WeakPolarHBondContact O-CB 3.36Å; E168-S172 PolarHBondContact O-N 2.95Å; I169-S172 PolarHBondContact O-N 3.04Å; I169-S172 PolarHBondContact O-OG 2.7Å; E170-S172 VanDerWaalsContact C-N 3.35Å; S172-S174 PolarHBondContact O-N 2.62Å; S172-N175 PolarHBondContact O-N 3.08Å |
| 173 | D | 47.8 | Very low | 48 | Very low | 120 Ų | 120 | 123 Ų | 123 | 64% | 0.642 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.4 | -19.6 | 177.2 | -91.7 | -12.4 | 0 | 0 | 0 | 112.8 | I169 N175 C176 | I169-D173 PolarHBondContact O-N 3.11Å; I169-D173 VanDerWaalsContact O-N 3.12Å; D173-N175 PolarHBondContact O-N 2.93Å; D173-N175 VanDerWaalsContact O-N 3.09Å; D173-C176 PolarHBondContact O-SG 3.25Å |
| 174 | S | 47 | Very low | 46.3 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -6.8 | -179.8 | -68.3 | 0 | 0 | 0 | 0 | 114.7 | E170 S172 | E170-S174 PolarHBondContact O-OG 3.42Å; S172-S174 PolarHBondContact O-N 2.62Å |
| 175 | N | 36.6 | Very low | 44.7 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 11.8 | -176.6 | -110.5 | -17.8 | 0 | 0 | 0 | 115.2 | S172 D173 | S172-N175 PolarHBondContact O-N 3.08Å; D173-N175 PolarHBondContact O-N 2.93Å; D173-N175 VanDerWaalsContact O-N 3.09Å |
| 176 | C | 35.2 | Very low | 43.1 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -86.1 | 145.5 | 166.2 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | D173 | D173-C176 PolarHBondContact O-SG 3.25Š| ||
| 177 | N | 32 | Very low | 41.6 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -99 | 170.3 | -156.3 | -161.1 | -0.2 | 0 | 0 | 0 | 114 | ||||
| 178 | V | 33.1 | Very low | 40.6 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | trans | 93.7 | 118.9 | 166.3 | -170.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 179 | N | 32.3 | Very low | 39.7 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | trans | -34.6 | 125.8 | 163.4 | -50.3 | -43.2 | 0 | 0 | 0 | 115.8 | ||||
| 180 | Q | 33.2 | Very low | 38.4 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | trans | -169.8 | 142.8 | 130.7 | -105 | 158.2 | 33.2 | 0 | 0 | 113.3 | ||||
| 181 | N | 34.7 | Very low | 37.5 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 22.9 | 110.7 | 165.7 | -60.3 | 0.1 | 0 | 0 | 0 | 119.7 | E183 | N181-E183 VanDerWaalsContact C-N 3.27Å; N181-E183 PolarHBondContact O-N 3.24Å; N181-E183 VanDerWaalsContact O-N 3.12Å | ||
| 182 | S | 32.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -8.3 | -177 | 45.3 | 0 | 0 | 0 | 0 | 117.1 | ||
| 183 | E | 37.9 | Very low | 35.8 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -21.9 | -175.5 | -64.5 | -173.2 | 138.6 | 0 | 0 | 114.2 | N181 | N181-E183 VanDerWaalsContact C-N 3.27Å; N181-E183 PolarHBondContact O-N 3.24Å; N181-E183 VanDerWaalsContact O-N 3.12Å |
| 184 | Q | 37.9 | Very low | 34.8 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -84.1 | -11.4 | 178.9 | -74.1 | -174.1 | -23.5 | 0 | 0 | 114 | L186 S187 | Q184-L186 VanDerWaalsContact C-N 3.32Å; Q184-L186 PolarHBondContact O-N 2.95Å; Q184-S187 PolarHBondContact O-OG 2.89Å |
| 185 | K | 38.2 | Very low | 34 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -69.6 | -30 | 179.5 | -134.1 | 175.7 | -174.3 | -177.5 | 0 | 112.5 | I189 | K185-I189 WeakPolarHBondContact O-CD1 3.25Å; K185-I189 VanDerWaalsContact O-CG1 3.32Å; K185-I189 WeakPolarHBondContact O-CG1 3.41Å; K185-I189 PolarHBondContact O-N 3.17Å |
| 186 | L | 33.7 | Very low | 33.6 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 59% | 0.592 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -73.9 | -37 | -175 | -156 | 72.1 | 0 | 0 | 0 | 113.2 | Q184 I189 M190 | Q184-L186 VanDerWaalsContact C-N 3.32Å; Q184-L186 PolarHBondContact O-N 2.95Å; L186-I189 PolarHBondContact O-N 3.24Å; L186-M190 WeakPolarHBondContact O-CG 3.35Å; L186-M190 PolarHBondContact O-N 2.95Å |
| 187 | S | 31.6 | Very low | 33.4 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 44% | 0.441 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -72.2 | -33.8 | 179.6 | 55.5 | 0 | 0 | 0 | 0 | 113 | Q184 N191 | Q184-S187 PolarHBondContact O-OG 2.89Å; S187-N191 WeakPolarHBondContact O-CB 3.35Å; S187-N191 PolarHBondContact O-N 2.89Å |
| 188 | V | 36.9 | Very low | 33.6 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -68.7 | -39.4 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | R192 | V188-R192 PolarHBondContact O-N 2.7Å |
| 189 | I | 39.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 57% | 0.569 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -67.1 | -42.5 | 176.1 | -68.3 | 168.6 | 0 | 0 | 0 | 111 | K185 L186 R192 | K185-I189 WeakPolarHBondContact O-CD1 3.25Å; K185-I189 VanDerWaalsContact O-CG1 3.32Å; K185-I189 WeakPolarHBondContact O-CG1 3.41Å; K185-I189 PolarHBondContact O-N 3.17Å; L186-I189 PolarHBondContact O-N 3.24Å; I189-R192 PolarHBondContact O-N 3.42Å |
| 190 | M | 31.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -66.5 | -38.1 | 176.8 | -73.9 | -171.5 | 171.5 | 0 | 0 | 113.1 | L186 R192 K193 | L186-M190 WeakPolarHBondContact O-CG 3.35Å; L186-M190 PolarHBondContact O-N 2.95Å; M190-R192 VanDerWaalsContact C-N 3.28Å; M190-R192 PolarHBondContact O-N 3.08Å; M190-K193 PolarHBondContact O-N 3.38Å |
| 191 | N | 33.4 | Very low | 34.7 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.7 | -11.2 | -178.8 | -79.6 | -13.4 | 0 | 0 | 0 | 115 | S187 | S187-N191 WeakPolarHBondContact O-CB 3.35Å; S187-N191 PolarHBondContact O-N 2.89Å |
| 192 | R | 35.7 | Very low | 35.1 | Very low | 218 Ų | 218 | 129.8 Ų | 129.8 | 82% | 0.823 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -75.9 | -20 | 171.3 | -91.9 | -173.6 | 170.3 | 177.9 | -2.9 | 113.8 | V188 I189 M190 G194 | V188-R192 PolarHBondContact O-N 2.7Å; I189-R192 PolarHBondContact O-N 3.42Å; M190-R192 VanDerWaalsContact C-N 3.28Å; M190-R192 PolarHBondContact O-N 3.08Å; R192-G194 PolarHBondContact O-N 3.15Å; R192-G194 VanDerWaalsContact O-N 3.11Å |
| 193 | K | 31.2 | Very low | 35.8 | Very low | 202 Ų | 202 | 125.8 Ų | 125.8 | 88% | 0.878 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -78.3 | 17 | 178.2 | -70.1 | -164 | 170.2 | -168 | 0 | 114.8 | M190 | M190-K193 PolarHBondContact O-N 3.38Š|
| 194 | G | 26.6 | Very low | 36.2 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -116.2 | 0.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | R192 | R192-G194 PolarHBondContact O-N 3.15Å; R192-G194 VanDerWaalsContact O-N 3.11Å |
| 195 | L | 29.4 | Very low | 37.1 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | trans | -128.1 | 115 | -173.7 | -162.9 | 70.1 | 0 | 0 | 0 | 112 | D197 | L195-D197 PolarHBondContact O-N 3.42Å; L195-D197 VanDerWaalsContact O-N 3.09Å | ||
| 196 | F | 28.8 | Very low | 38.2 | Very low | 190 Ų | 190 | 108 Ų | 108 | 83% | 0.833 | 57% | 0.57 | S | S | * | * | trans | -66.3 | 102.5 | 170.1 | -83.9 | -101.4 | 0 | 0 | 0 | 109.8 | M198 | F196-M198 PolarHBondContact O-N 2.88Š| ||
| 197 | D | 32.1 | Very low | 39.5 | Very low | 76 Ų | 76 | 110.2 Ų | 110.2 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | trans | -73.9 | 109.4 | 170.2 | -168 | -11.6 | 0 | 0 | 0 | 110.2 | L195 T199 N204 | L195-D197 PolarHBondContact O-N 3.42Å; L195-D197 VanDerWaalsContact O-N 3.09Å; D197-T199 VanDerWaalsContact C-N 3.27Å; D197-T199 VanDerWaalsContact CG-OG1 3.3Å; D197-T199 WeakPolarHBondContact OD1-CB 3.18Å; D197-T199 PolarHBondContact OD1-N 3.31Å; D197-T199 PolarHBondContact OD1-OG1 3.4Å; D197-T199 PolarHBondContact OD2-OG1 3.11Å; D197-N204 PolarHBondContact O-ND2 3.45Å | ||
| 198 | M | 35.2 | Very low | 41 | Very low | 172 Ų | 172 | 110 Ų | 110 | 85% | 0.847 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -78.4 | -5.9 | 177.5 | -79.7 | -73 | -65.6 | 0 | 0 | 113.6 | F196 | F196-M198 PolarHBondContact O-N 2.88Š|
| 199 | T | 40 | Very low | 42.8 | Very low | 100 Ų | 100 | 105.9 Ų | 105.9 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -92.5 | -26.4 | -173.2 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | D197 P201 | D197-T199 VanDerWaalsContact C-N 3.27Å; D197-T199 VanDerWaalsContact CG-OG1 3.3Å; D197-T199 WeakPolarHBondContact OD1-CB 3.18Å; D197-T199 PolarHBondContact OD1-N 3.31Å; D197-T199 PolarHBondContact OD1-OG1 3.4Å; D197-T199 PolarHBondContact OD2-OG1 3.11Å; T199-P201 WeakPolarHBondContact O-CD 3.26Å |
| 200 | H | 41.6 | Very low | 44.9 | Very low | 135 Ų | 135 | 102.5 Ų | 102.5 | 63% | 0.625 | 54% | 0.541 | S | S | * | . | trans | -122.1 | 79.3 | -179.3 | -75.4 | -79.3 | 0 | 0 | 0 | 112.8 | E202 G203 | H200-E202 PolarHBondContact O-N 2.85Å; H200-G203 PolarHBondContact O-N 2.69Å | ||
| 201 | P | 39.3 | Very low | 47.4 | Very low | 87 Ų | 87 | 98.2 Ų | 98.2 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.3 | -16.4 | -176.3 | 28.3 | -36.3 | 0 | 0 | 0 | 114.7 | T199 A205 | T199-P201 WeakPolarHBondContact O-CD 3.26Å; P201-A205 WeakPolarHBondContact O-CB 3.44Å |
| 202 | E | 45 | Very low | 50 | Low | 66 Ų | 66 | 98.8 Ų | 98.8 | 31% | 0.308 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 177.9 | -67.4 | -177.2 | 134.6 | 0 | 0 | 111.8 | H200 A205 I206 T276 H277 | H200-E202 PolarHBondContact O-N 2.85Å; E202-A205 PolarHBondContact O-N 3.36Å; E202-I206 WeakPolarHBondContact O-CG1 3.05Å; E202-I206 PolarHBondContact O-N 3.22Å; E202-T276 HydrophobicContact CG-CG2 4.22Å; E202-T276 VanDerWaalsContact OE1-CA 3.24Å; E202-T276 WeakPolarHBondContact OE1-CA 3.35Å; E202-H277 IonicContact OE1-CD2 3.72Å; E202-H277 PolarHBondContact OE1-N 2.99Å |
| 203 | G | 46.8 | Very low | 52.6 | Low | 31 Ų | 31 | 91.9 Ų | 91.9 | 32% | 0.32 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -52 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H200 A205 I206 E207 | H200-G203 PolarHBondContact O-N 2.69Å; G203-A205 PolarHBondContact O-N 3.48Å; G203-A205 VanDerWaalsContact O-N 3.12Å; G203-I206 PolarHBondContact O-N 3.39Å; G203-E207 PolarHBondContact O-N 2.9Å |
| 204 | N | 46.6 | Very low | 55.4 | Low | 81 Ų | 81 | 82.2 Ų | 82.2 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60 | -24.4 | 177.4 | -61.7 | -33.5 | 0 | 0 | 0 | 112.9 | D197 | D197-N204 PolarHBondContact O-ND2 3.45Å |
| 205 | A | 56.6 | Low | 58.3 | Low | 21 Ų | 21 | 81.4 Ų | 81.4 | 17% | 0.174 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -82.3 | -21.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P201 E202 G203 F272 | P201-A205 WeakPolarHBondContact O-CB 3.44Å; E202-A205 PolarHBondContact O-N 3.36Å; G203-A205 PolarHBondContact O-N 3.48Å; G203-A205 VanDerWaalsContact O-N 3.12Å; A205-F272 HydrophobicContact CB-CD2 4.14Å |
| 206 | I | 60.9 | Low | 61.4 | Low | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -78.7 | -43 | 176.2 | -67.7 | 162.5 | 0 | 0 | 0 | 110.3 | V159 H162 E202 G203 A208 L209 F272 | V159-I206 HydrophobicContact CG1-CG2 4.21Å; H162-I206 HydrophobicContact CB-CD1 3.96Å; H162-I206 WeakPolarHBondContact CD2-CD1 3.48Å; E202-I206 WeakPolarHBondContact O-CG1 3.05Å; E202-I206 PolarHBondContact O-N 3.22Å; G203-I206 PolarHBondContact O-N 3.39Å; I206-A208 PolarHBondContact O-N 2.93Å; I206-A208 VanDerWaalsContact O-N 3.13Å; I206-L209 PolarHBondContact O-N 3.13Å; I206-F272 HydrophobicContact CD1-CE2 4.28Å; I206-F272 HydrophobicContact CG1-CD2 4.21Å; I206-F272 HydrophobicContact CG1-CE2 3.47Å; I206-F272 VanDerWaalsContact CG1-CE2 3.47Å; I206-F272 HydrophobicContact CG1-CZ 4.26Å |
| 207 | E | 60.6 | Low | 64.5 | Low | 158 Ų | 158 | 68.7 Ų | 68.7 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24 | 178.2 | -65.9 | -168 | 177.5 | 0 | 0 | 113.5 | G203 | G203-E207 PolarHBondContact O-N 2.9Š|
| 208 | A | 63.7 | Low | 67.4 | Low | 60 Ų | 60 | 66 Ų | 66 | 50% | 0.496 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I206 | I206-A208 PolarHBondContact O-N 2.93Å; I206-A208 VanDerWaalsContact O-N 3.13Å |
| 209 | L | 74.2 | Confident | 70.2 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | trans | -92.6 | 102.7 | -174.9 | -79.8 | 175.8 | 0 | 0 | 0 | 112.6 | V155 V159 I206 I211 M214 E268 I269 F272 | V155-L209 HydrophobicContact CG1-CD1 4.09Å; V159-L209 HydrophobicContact CG2-CB 4.47Å; V159-L209 HydrophobicContact CG2-CD1 3.83Å; I206-L209 PolarHBondContact O-N 3.13Å; L209-I211 PolarHBondContact O-N 2.96Å; L209-M214 HydrophobicContact CB-CE 4.15Å; L209-M214 HydrophobicContact CB-SD 4.42Å; L209-M214 HydrophobicContact CD1-SD 4.33Å; L209-M214 HydrophobicContact CD2-SD 3.93Å; L209-M214 HydrophobicContact CG-SD 4.49Å; L209-E268 HydrophobicContact CD2-CB 3.84Å; L209-I269 HydrophobicContact CD2-CG1 3.97Å; L209-F272 HydrophobicContact CD1-CB 3.58Å; L209-F272 HydrophobicContact CD1-CD1 3.54Å; L209-F272 HydrophobicContact CD1-CD2 3.9Å; L209-F272 HydrophobicContact CD1-CE1 4.15Å; L209-F272 HydrophobicContact CD1-CE2 4.47Å; L209-F272 HydrophobicContact CD1-CG 3.38Å; L209-F272 HydrophobicContact CG-CB 4.36Å | ||
| 210 | S | 83.8 | Confident | 72.9 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | trans | -71.1 | 111 | 170.6 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | E212 K213 M214 | S210-E212 VanDerWaalsContact C-N 3.26Å; S210-E212 PolarHBondContact O-N 2.71Å; S210-K213 WeakPolarHBondContact O-CB 3.42Å; S210-K213 PolarHBondContact O-N 2.82Å; S210-K213 PolarHBondContact OG-N 2.78Å; S210-M214 WeakPolarHBondContact O-CG 3.13Å; S210-M214 PolarHBondContact O-N 3.31Å; S210-M214 VanDerWaalsContact O-N 3.1Å | ||
| 211 | I | 84.7 | Confident | 75.5 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55 | -41.9 | 176.2 | -60.1 | 169.9 | 0 | 0 | 0 | 111.1 | V159 L160 L209 K213 M214 I215 | V159-I211 HydrophobicContact CG1-CD1 3.91Å; V159-I211 HydrophobicContact CG1-CG1 3.66Å; L160-I211 HydrophobicContact CD2-CD1 3.89Å; L160-I211 HydrophobicContact CD2-CG2 4.43Å; L160-I211 HydrophobicContact CG-CD1 4.3Å; L209-I211 PolarHBondContact O-N 2.96Å; I211-K213 PolarHBondContact O-N 3.09Å; I211-M214 HydrophobicContact CG1-CE 4.23Å; I211-M214 PolarHBondContact O-N 3.08Å; I211-M214 VanDerWaalsContact O-N 3.14Å; I211-I215 HydrophobicContact CG2-CD1 3.73Å; I211-I215 HydrophobicContact CG2-CG1 4.25Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.12Å |
| 212 | E | 86.1 | Confident | 78.2 | Confident | 150 Ų | 150 | 48.9 Ų | 48.9 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | 177.6 | -175.1 | -176.7 | -172 | 0 | 0 | 112.3 | S210 M214 I215 T216 | S210-E212 VanDerWaalsContact C-N 3.26Å; S210-E212 PolarHBondContact O-N 2.71Å; E212-M214 VanDerWaalsContact C-N 3.34Å; E212-M214 PolarHBondContact O-N 2.62Å; E212-I215 PolarHBondContact O-N 2.81Å; E212-T216 WeakPolarHBondContact O-CB 2.8Å; E212-T216 PolarHBondContact O-N 3.43Å; E212-T216 PolarHBondContact O-OG1 3.31Å |
| 213 | K | 90.7 | Very high | 80.6 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 32% | 0.317 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174 | -67.2 | -174.5 | -150.1 | 162.4 | 0 | 111.4 | S210 I211 T216 L217 V265 E268 | S210-K213 WeakPolarHBondContact O-CB 3.42Å; S210-K213 PolarHBondContact O-N 2.82Å; S210-K213 PolarHBondContact OG-N 2.78Å; I211-K213 PolarHBondContact O-N 3.09Å; K213-T216 WeakPolarHBondContact O-CB 3.4Å; K213-T216 PolarHBondContact O-N 3.41Å; K213-L217 PolarHBondContact O-N 2.99Å; K213-V265 HydrophobicContact CB-CG1 4.33Å; K213-V265 HydrophobicContact CB-CG2 3.67Å; K213-V265 HydrophobicContact CD-CG2 3.44Å; K213-V265 VanDerWaalsContact CD-CG2 3.44Å; K213-V265 HydrophobicContact CG-CG2 4.08Å; K213-E268 IonicContact NZ-OE1 3.26Å; K213-E268 PolarHBondContact NZ-OE1 3.48Å; K213-E268 IonicContact NZ-OE2 2.85Å; K213-E268 PolarHBondContact NZ-OE2 2.69Å |
| 214 | M | 89.7 | Confident | 83 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -40.6 | -179.2 | -62.2 | -166 | -73.1 | 0 | 0 | 112.5 | V152 V155 C156 V159 L209 S210 I211 E212 T216 L217 K218 V265 I269 | V152-M214 HydrophobicContact CG1-CB 4.3Å; V152-M214 WeakPolarHBondContact CG1-O 3.39Å; V155-M214 HydrophobicContact CB-SD 4.46Å; V155-M214 HydrophobicContact CG1-CE 4.43Å; V155-M214 HydrophobicContact CG1-SD 3.6Å; V155-M214 VanDerWaalsContact CG1-SD 3.6Å; C156-M214 VanDerWaalsContact SG-CB 3.53Å; V159-M214 HydrophobicContact CB-CE 4.19Å; V159-M214 HydrophobicContact CG1-CE 4.22Å; V159-M214 HydrophobicContact CG2-CE 4.13Å; L209-M214 HydrophobicContact CB-CE 4.15Å; L209-M214 HydrophobicContact CB-SD 4.42Å; L209-M214 HydrophobicContact CD1-SD 4.33Å; L209-M214 HydrophobicContact CD2-SD 3.93Å; L209-M214 HydrophobicContact CG-SD 4.49Å; S210-M214 WeakPolarHBondContact O-CG 3.13Å; S210-M214 PolarHBondContact O-N 3.31Å; S210-M214 VanDerWaalsContact O-N 3.1Å; I211-M214 HydrophobicContact CG1-CE 4.23Å; I211-M214 PolarHBondContact O-N 3.08Å; I211-M214 VanDerWaalsContact O-N 3.14Å; E212-M214 VanDerWaalsContact C-N 3.34Å; E212-M214 PolarHBondContact O-N 2.62Å; M214-T216 VanDerWaalsContact C-N 3.33Å; M214-L217 PolarHBondContact O-N 3.07Å; M214-K218 WeakPolarHBondContact O-CB 3.29Å; M214-K218 PolarHBondContact O-N 3.29Å; M214-V265 HydrophobicContact CG-CG1 4.41Å; M214-I269 HydrophobicContact CG-CD1 3.98Å; M214-I269 HydrophobicContact CG-CG1 4.18Å; M214-I269 HydrophobicContact SD-CD1 4.15Å; M214-I269 HydrophobicContact SD-CG1 3.89Å |
| 215 | I | 89.5 | Confident | 85.3 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 26% | 0.256 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -41.2 | 174 | -69.4 | 173.9 | 0 | 0 | 0 | 110.2 | I211 E212 K218 G219 | I211-I215 HydrophobicContact CG2-CD1 3.73Å; I211-I215 HydrophobicContact CG2-CG1 4.25Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.12Å; E212-I215 PolarHBondContact O-N 2.81Å; I215-K218 PolarHBondContact O-N 2.82Å; I215-G219 PolarHBondContact O-N 3.03Å |
| 216 | T | 92.8 | Very high | 87.2 | Confident | 77 Ų | 77 | 49 Ų | 49 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | E212 K213 M214 K218 G219 Q220 | E212-T216 WeakPolarHBondContact O-CB 2.8Å; E212-T216 PolarHBondContact O-N 3.43Å; E212-T216 PolarHBondContact O-OG1 3.31Å; K213-T216 WeakPolarHBondContact O-CB 3.4Å; K213-T216 PolarHBondContact O-N 3.41Å; M214-T216 VanDerWaalsContact C-N 3.33Å; T216-K218 PolarHBondContact O-N 3.26Å; T216-G219 PolarHBondContact O-N 2.93Å; T216-Q220 WeakPolarHBondContact O-CG 3.4Å; T216-Q220 PolarHBondContact O-N 3.46Å |
| 217 | L | 94.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 175.7 | 176.8 | 60.3 | 0 | 0 | 0 | 111.9 | V152 K213 M214 G219 Q220 L221 I262 V265 I266 I269 L287 | V152-L217 HydrophobicContact CG2-CD2 4.25Å; K213-L217 PolarHBondContact O-N 2.99Å; M214-L217 PolarHBondContact O-N 3.07Å; L217-G219 VanDerWaalsContact C-N 3.27Å; L217-G219 PolarHBondContact O-N 3.26Å; L217-Q220 PolarHBondContact O-N 3.43Å; L217-L221 HydrophobicContact CD1-CD1 4.08Å; L217-L221 HydrophobicContact CD1-CD2 4.49Å; L217-L221 HydrophobicContact CD1-CG 4.06Å; L217-L221 HydrophobicContact CG-CD1 4.19Å; L217-L221 WeakPolarHBondContact O-CG 3.15Å; L217-L221 PolarHBondContact O-N 3.31Å; L217-I262 HydrophobicContact CD1-CG1 4.3Å; L217-I262 HydrophobicContact CD1-CG2 3.83Å; L217-V265 HydrophobicContact CB-CG1 4.33Å; L217-V265 HydrophobicContact CD2-CB 4.35Å; L217-V265 HydrophobicContact CD2-CG1 3.69Å; L217-I266 HydrophobicContact CD2-CG1 3.79Å; L217-I269 HydrophobicContact CD2-CD1 4.03Å; L217-L287 HydrophobicContact CD2-CD1 4.45Å |
| 218 | K | 93.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -42 | 175.9 | -173.1 | -174.6 | 176.4 | -172.3 | 0 | 111.2 | I149 V152 K153 M214 I215 T216 L221 I222 L803 | I149-K218 HydrophobicContact CG2-CG 4.47Å; V152-K218 HydrophobicContact CG1-CB 3.94Å; K153-K218 HydrophobicContact CB-CD 4.42Å; M214-K218 WeakPolarHBondContact O-CB 3.29Å; M214-K218 PolarHBondContact O-N 3.29Å; I215-K218 PolarHBondContact O-N 2.82Å; T216-K218 PolarHBondContact O-N 3.26Å; K218-L221 PolarHBondContact O-N 3.04Å; K218-I222 HydrophobicContact CG-CD1 3.93Å; K218-I222 WeakPolarHBondContact O-CB 3.41Å; K218-I222 VanDerWaalsContact O-CG1 3.27Å; K218-I222 WeakPolarHBondContact O-CG1 3.43Å; K218-I222 PolarHBondContact O-N 3.38Å; K218-L803 PolarHBondContact NZ-O 3.41Å |
| 219 | G | 93.5 | Very high | 91.7 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I215 T216 L217 L221 I222 E223 | I215-G219 PolarHBondContact O-N 3.03Å; T216-G219 PolarHBondContact O-N 2.93Å; L217-G219 VanDerWaalsContact C-N 3.27Å; L217-G219 PolarHBondContact O-N 3.26Å; G219-L221 VanDerWaalsContact C-N 3.34Å; G219-L221 PolarHBondContact O-N 3.2Å; G219-I222 PolarHBondContact O-N 2.89Å; G219-E223 PolarHBondContact O-N 3.12Å |
| 220 | Q | 96.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.5 | -70 | 169.3 | -54.9 | 0 | 0 | 112 | T216 L217 E223 L224 A252 G253 I254 | T216-Q220 WeakPolarHBondContact O-CG 3.4Å; T216-Q220 PolarHBondContact O-N 3.46Å; L217-Q220 PolarHBondContact O-N 3.43Å; Q220-E223 PolarHBondContact O-N 3.36Å; Q220-L224 WeakPolarHBondContact O-CB 3.4Å; Q220-L224 PolarHBondContact O-N 3.16Å; Q220-A252 WeakPolarHBondContact CA-O 3.22Å; Q220-A252 WeakPolarHBondContact CG-O 3.15Å; Q220-G253 PolarHBondContact NE2-O 2.89Å; Q220-I254 HydrophobicContact CB-CD1 4.15Å; Q220-I254 HydrophobicContact CB-CG1 3.94Å; Q220-I254 HydrophobicContact CG-CG1 4.36Å |
| 221 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 178.7 | -63.7 | -179.9 | 0 | 0 | 0 | 113 | L145 A148 I149 L217 K218 G219 L224 E225 L287 V290 | L145-L221 HydrophobicContact CD1-CB 4.15Å; L145-L221 HydrophobicContact CD1-CD2 3.97Å; A148-L221 HydrophobicContact CB-CD1 4.15Å; I149-L221 HydrophobicContact CD1-CB 4.35Å; I149-L221 HydrophobicContact CG1-CB 3.66Å; L217-L221 HydrophobicContact CD1-CD1 4.08Å; L217-L221 HydrophobicContact CD1-CD2 4.49Å; L217-L221 HydrophobicContact CD1-CG 4.06Å; L217-L221 HydrophobicContact CG-CD1 4.19Å; L217-L221 WeakPolarHBondContact O-CG 3.15Å; L217-L221 PolarHBondContact O-N 3.31Å; K218-L221 PolarHBondContact O-N 3.04Å; G219-L221 VanDerWaalsContact C-N 3.34Å; G219-L221 PolarHBondContact O-N 3.2Å; L221-L224 PolarHBondContact O-N 3.29Å; L221-E225 PolarHBondContact O-N 2.9Å; L221-L287 HydrophobicContact CD1-CD1 4.34Å; L221-V290 HydrophobicContact CD2-CG1 3.75Å |
| 222 | I | 96 | Very high | 93.3 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 35% | 0.349 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 173.4 | -71.8 | 167.6 | 0 | 0 | 0 | 111.2 | I149 K218 G219 L224 E225 R226 | I149-I222 HydrophobicContact CD1-CG1 4.06Å; I149-I222 HydrophobicContact CG1-CG1 4.2Å; I149-I222 HydrophobicContact CG2-CD1 3.97Å; I149-I222 HydrophobicContact CG2-CG1 3.6Å; K218-I222 HydrophobicContact CG-CD1 3.93Å; K218-I222 WeakPolarHBondContact O-CB 3.41Å; K218-I222 VanDerWaalsContact O-CG1 3.27Å; K218-I222 WeakPolarHBondContact O-CG1 3.43Å; K218-I222 PolarHBondContact O-N 3.38Å; G219-I222 PolarHBondContact O-N 2.89Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-E225 PolarHBondContact O-N 3.18Å; I222-R226 PolarHBondContact O-N 3.04Å |
| 223 | E | 96.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 176.5 | -177.9 | 65.2 | 176.3 | 0 | 0 | 111.3 | G219 Q220 R226 L227 A252 | G219-E223 PolarHBondContact O-N 3.12Å; Q220-E223 PolarHBondContact O-N 3.36Å; E223-R226 PolarHBondContact O-N 3.28Å; E223-R226 IonicContact OE1-CZ 2.68Å; E223-R226 IonicContact OE1-NE 2.71Å; E223-R226 PolarHBondContact OE1-NE 3.3Å; E223-R226 IonicContact OE1-NH2 3.19Å; E223-R226 PolarHBondContact OE1-NH2 2.86Å; E223-R226 IonicContact OE2-CZ 3.92Å; E223-R226 IonicContact OE2-NE 2.75Å; E223-R226 PolarHBondContact OE2-NE 2.91Å; E223-R226 IonicContact OE2-NH2 2.95Å; E223-L227 HydrophobicContact CG-CD1 3.98Å; E223-L227 HydrophobicContact CG-CG 4.49Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 WeakPolarHBondContact O-CD1 3.29Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.35Å; E223-L227 PolarHBondContact O-N 2.97Å; E223-A252 HydrophobicContact CG-CB 4.38Å |
| 224 | L | 95.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 170 | -176.7 | 58.2 | 0 | 0 | 0 | 111.8 | L145 Q220 L221 I222 R226 L227 I228 L248 L249 A252 I254 | L145-L224 HydrophobicContact CD1-CD2 4.45Å; L145-L224 HydrophobicContact CD2-CD2 4.41Å; L145-L224 HydrophobicContact CD2-CG 4.15Å; Q220-L224 WeakPolarHBondContact O-CB 3.4Å; Q220-L224 PolarHBondContact O-N 3.16Å; L221-L224 PolarHBondContact O-N 3.29Å; I222-L224 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 2.88Å; L224-L227 PolarHBondContact O-N 3.23Å; L224-I228 HydrophobicContact CD1-CD1 3.8Å; L224-I228 HydrophobicContact CD1-CG1 4.11Å; L224-I228 HydrophobicContact CG-CD1 3.74Å; L224-I228 HydrophobicContact CG-CG1 4.44Å; L224-I228 WeakPolarHBondContact O-CB 3.33Å; L224-I228 WeakPolarHBondContact O-CD1 3.21Å; L224-I228 WeakPolarHBondContact O-CG1 3.24Å; L224-I228 PolarHBondContact O-N 3.46Å; L224-L248 HydrophobicContact CD1-CG 4.38Å; L224-L249 HydrophobicContact CD1-CD2 3.9Å; L224-L249 HydrophobicContact CD2-CD2 3.9Å; L224-A252 HydrophobicContact CB-CB 3.8Å; L224-A252 HydrophobicContact CD1-CB 4.28Å; L224-I254 HydrophobicContact CD2-CD1 4.21Å |
| 225 | E | 95.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.3 | -174.7 | 176.8 | -115.8 | 0 | 0 | 111.5 | L145 A146 I149 L221 I222 I228 D229 | L145-E225 HydrophobicContact CD2-CB 3.91Å; L145-E225 HydrophobicContact CG-CB 4.39Å; A146-E225 WeakPolarHBondContact CB-OE1 3.41Å; I149-E225 HydrophobicContact CD1-CB 3.92Å; I149-E225 HydrophobicContact CD1-CG 4.42Å; L221-E225 PolarHBondContact O-N 2.9Å; I222-E225 PolarHBondContact O-N 3.18Å; E225-I228 PolarHBondContact O-N 2.92Å; E225-D229 PolarHBondContact O-N 3.23Å |
| 226 | R | 95.7 | Very high | 93.5 | Very high | 100 Ų | 100 | 54.1 Ų | 54.1 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 175.6 | -172.7 | -171.7 | 72 | 79.4 | 6.2 | 112 | I222 E223 L224 I228 D229 E230 | I222-R226 PolarHBondContact O-N 3.04Å; E223-R226 PolarHBondContact O-N 3.28Å; E223-R226 IonicContact OE1-CZ 2.68Å; E223-R226 IonicContact OE1-NE 2.71Å; E223-R226 PolarHBondContact OE1-NE 3.3Å; E223-R226 IonicContact OE1-NH2 3.19Å; E223-R226 PolarHBondContact OE1-NH2 2.86Å; E223-R226 IonicContact OE2-CZ 3.92Å; E223-R226 IonicContact OE2-NE 2.75Å; E223-R226 PolarHBondContact OE2-NE 2.91Å; E223-R226 IonicContact OE2-NH2 2.95Å; L224-R226 PolarHBondContact O-N 2.88Å; R226-I228 PolarHBondContact O-N 2.97Å; R226-D229 PolarHBondContact O-N 2.95Å; R226-E230 WeakPolarHBondContact CG-OE1 3.33Å; R226-E230 IonicContact CZ-OE1 3.78Å; R226-E230 IonicContact CZ-OE2 3.48Å; R226-E230 IonicContact NH1-OE1 2.83Å; R226-E230 PolarHBondContact NH1-OE1 3.36Å; R226-E230 IonicContact NH1-OE2 2.69Å; R226-E230 PolarHBondContact NH1-OE2 2.71Å; R226-E230 WeakPolarHBondContact O-CB 3.39Å; R226-E230 WeakPolarHBondContact O-CG 3.48Å; R226-E230 PolarHBondContact O-N 3.47Å |
| 227 | L | 95.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -29.8 | -179.4 | -72.8 | 166.7 | 0 | 0 | 0 | 112.6 | E223 L224 L231 L248 R251 A252 | E223-L227 HydrophobicContact CG-CD1 3.98Å; E223-L227 HydrophobicContact CG-CG 4.49Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 WeakPolarHBondContact O-CD1 3.29Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.35Å; E223-L227 PolarHBondContact O-N 2.97Å; L224-L227 PolarHBondContact O-N 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L248 HydrophobicContact CB-CD1 3.91Å; L227-R251 HydrophobicContact CD1-CB 3.65Å; L227-R251 HydrophobicContact CD2-CB 4.41Å; L227-A252 HydrophobicContact CD1-CB 4.02Å |
| 228 | I | 93.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.6 | -43.4 | 175.6 | -72.6 | 172.1 | 0 | 0 | 0 | 111.7 | L145 L224 E225 R226 E230 L231 L248 R361 I363 | L145-I228 HydrophobicContact CD2-CD1 3.83Å; L224-I228 HydrophobicContact CD1-CD1 3.8Å; L224-I228 HydrophobicContact CD1-CG1 4.11Å; L224-I228 HydrophobicContact CG-CD1 3.74Å; L224-I228 HydrophobicContact CG-CG1 4.44Å; L224-I228 WeakPolarHBondContact O-CB 3.33Å; L224-I228 WeakPolarHBondContact O-CD1 3.21Å; L224-I228 WeakPolarHBondContact O-CG1 3.24Å; L224-I228 PolarHBondContact O-N 3.46Å; E225-I228 PolarHBondContact O-N 2.92Å; R226-I228 PolarHBondContact O-N 2.97Å; I228-E230 VanDerWaalsContact C-N 3.32Å; I228-L231 PolarHBondContact O-N 3.47Å; I228-L248 HydrophobicContact CG1-CD2 4.28Å; I228-R361 HydrophobicContact CG2-CG 4.07Å; I228-R361 WeakPolarHBondContact O-CD 3.35Å; I228-R361 PolarHBondContact O-NH1 3.3Å; I228-I363 HydrophobicContact CB-CD1 4.25Å; I228-I363 HydrophobicContact CD1-CD1 3.64Å; I228-I363 HydrophobicContact CG1-CD1 3.51Å; I228-I363 HydrophobicContact CG2-CD1 3.85Å; I228-I363 HydrophobicContact CG2-CG1 4.47Å |
| 229 | D | 90.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.2 | -29.6 | 178.2 | -93.1 | 5.2 | 0 | 0 | 0 | 111.9 | E225 R226 L231 R361 R811 | E225-D229 PolarHBondContact O-N 3.23Å; R226-D229 PolarHBondContact O-N 2.95Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 3.3Å; D229-R361 PolarHBondContact O-NH1 2.78Å; D229-R361 VanDerWaalsContact O-NH1 3.14Å; D229-R811 IonicContact OD2-NH1 3.61Å |
| 230 | E | 92.3 | Very high | 93.7 | Very high | 117 Ų | 117 | 55.4 Ų | 55.4 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.2 | 176.1 | -79.5 | 174.7 | -170.5 | 0 | 0 | 115 | R226 I228 N232 | R226-E230 WeakPolarHBondContact CG-OE1 3.33Å; R226-E230 IonicContact CZ-OE1 3.78Å; R226-E230 IonicContact CZ-OE2 3.48Å; R226-E230 IonicContact NH1-OE1 2.83Å; R226-E230 PolarHBondContact NH1-OE1 3.36Å; R226-E230 IonicContact NH1-OE2 2.69Å; R226-E230 PolarHBondContact NH1-OE2 2.71Å; R226-E230 WeakPolarHBondContact O-CB 3.39Å; R226-E230 WeakPolarHBondContact O-CG 3.48Å; R226-E230 PolarHBondContact O-N 3.47Å; I228-E230 VanDerWaalsContact C-N 3.32Å; E230-N232 PolarHBondContact O-N 3.39Å |
| 231 | L | 92.7 | Very high | 93.6 | Very high | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -69.8 | 127.5 | 175 | -62.2 | 175.2 | 0 | 0 | 0 | 110.7 | L227 I228 D229 V233 L238 F244 L248 I330 R361 | L227-L231 WeakPolarHBondContact O-CG 3.44Å; I228-L231 PolarHBondContact O-N 3.47Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 3.3Å; L231-V233 HydrophobicContact CB-CG2 4.23Å; L231-V233 PolarHBondContact O-N 2.71Å; L231-L238 HydrophobicContact CB-CD2 4.48Å; L231-F244 HydrophobicContact CD2-CE1 4.43Å; L231-F244 HydrophobicContact CD2-CZ 4.11Å; L231-L248 HydrophobicContact CD1-CD1 4.39Å; L231-L248 HydrophobicContact CD1-CD2 4.39Å; L231-I330 HydrophobicContact CD1-CD1 3.44Å; L231-I330 VanDerWaalsContact CD1-CD1 3.44Å; L231-R361 PolarHBondContact O-NH1 2.78Å; L231-R361 PolarHBondContact O-NH2 2.84Å |
| 232 | N | 92.5 | Very high | 93.2 | Very high | 149 Ų | 149 | 58 Ų | 58 | 80% | 0.797 | 30% | 0.301 | S | S | * | . | trans | -76.6 | 108.4 | 170.6 | -170.1 | 9.7 | 0 | 0 | 0 | 109.2 | E230 | E230-N232 PolarHBondContact O-N 3.39Š| ||
| 233 | V | 92.8 | Very high | 93 | Very high | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | trans | -111.8 | 116.9 | -174.9 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | L231 L238 I330 | L231-V233 HydrophobicContact CB-CG2 4.23Å; L231-V233 PolarHBondContact O-N 2.71Å; V233-L238 HydrophobicContact CG1-CB 4.36Å; V233-L238 HydrophobicContact CG2-CB 4.21Å; V233-I330 WeakPolarHBondContact CG1-O 3.41Å; V233-I330 HydrophobicContact CG2-CG2 3.75Å | ||
| 234 | P | 92.7 | Very high | 92.8 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | trans | -77.6 | 167.2 | 177.7 | 35.7 | -37.2 | 0 | 0 | 0 | 111.2 | E236 G237 | P234-E236 VanDerWaalsContact C-N 3.25Å; P234-E236 WeakPolarHBondContact CB-OE1 3.35Å; P234-E236 HydrophobicContact CG-CG 4.29Å; P234-E236 WeakPolarHBondContact CG-OE1 3.4Å; P234-E236 PolarHBondContact O-N 3.25Å; P234-E236 VanDerWaalsContact O-N 3.17Å; P234-G237 WeakPolarHBondContact O-CA 3.48Å; P234-G237 PolarHBondContact O-N 3.02Å | ||
| 235 | P | 87.5 | Confident | 92.7 | Very high | 127 Ų | 127 | 57.3 Ų | 57.3 | 83% | 0.825 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.4 | -174.7 | -27.1 | 36.3 | 0 | 0 | 0 | 115.3 | G237 | P235-G237 VanDerWaalsContact C-N 3.29Š|
| 236 | E | 87 | Confident | 92.6 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.8 | 175.8 | 65.4 | -81.1 | -174 | 0 | 0 | 114.2 | P234 | P234-E236 VanDerWaalsContact C-N 3.25Å; P234-E236 WeakPolarHBondContact CB-OE1 3.35Å; P234-E236 HydrophobicContact CG-CG 4.29Å; P234-E236 WeakPolarHBondContact CG-OE1 3.4Å; P234-E236 PolarHBondContact O-N 3.25Å; P234-E236 VanDerWaalsContact O-N 3.17Å |
| 237 | G | 92.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 56 Ų | 56 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | trans | 91.6 | 144.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P234 P235 I330 | P234-G237 WeakPolarHBondContact O-CA 3.48Å; P234-G237 PolarHBondContact O-N 3.02Å; P235-G237 VanDerWaalsContact C-N 3.29Å; G237-I330 CarbonylContact C-O 3.53Å; G237-I330 WeakPolarHBondContact CA-O 3.47Å | ||
| 238 | L | 95.3 | Very high | 92.2 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.6 | 177.8 | 179.2 | 66.7 | 0 | 0 | 0 | 109.9 | L231 V233 I330 | L231-L238 HydrophobicContact CB-CD2 4.48Å; V233-L238 HydrophobicContact CG1-CB 4.36Å; V233-L238 HydrophobicContact CG2-CB 4.21Å; L238-I330 HydrophobicContact CB-CB 4.38Å; L238-I330 PolarHBondContact N-O 2.8Å; L238-I330 PolarHBondContact O-N 3.17Å |
| 239 | T | 96.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.2 | 171.9 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | R327 L328 H329 L568 | T239-R327 HydrophobicContact CG2-CB 4.46Å; T239-L328 CarbonylContact C-O 3.59Å; T239-L328 WeakPolarHBondContact CA-O 3.41Å; T239-H329 PolarHBondContact OG1-ND1 3.23Å; T239-L568 HydrophobicContact CG2-CD1 3.6Å; T239-L568 HydrophobicContact CG2-CD2 3.81Å; T239-L568 HydrophobicContact CG2-CG 4.36Å |
| 240 | K | 95.1 | Very high | 92.4 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 161.2 | 172.9 | -64.1 | -64.6 | -178.9 | -172.2 | 0 | 110.8 | F244 L328 | K240-F244 HydrophobicContact CB-CB 3.74Å; K240-F244 HydrophobicContact CB-CD1 4.09Å; K240-F244 HydrophobicContact CB-CG 3.91Å; K240-F244 HydrophobicContact CG-CB 4.32Å; K240-F244 HydrophobicContact CG-CD1 3.95Å; K240-F244 HydrophobicContact CG-CD2 4.33Å; K240-F244 HydrophobicContact CG-CE1 4.35Å; K240-F244 HydrophobicContact CG-CG 3.93Å; K240-L328 HydrophobicContact CB-CB 4.45Å; K240-L328 PolarHBondContact N-O 3.23Å; K240-L328 PolarHBondContact O-N 3.33Å |
| 241 | D | 92.6 | Very high | 92.5 | Very high | 82 Ų | 82 | 54.9 Ų | 54.9 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 153.6 | 168.8 | -68.8 | -76.2 | 0 | 0 | 0 | 112.6 | S243 F244 R327 | D241-S243 PolarHBondContact O-N 3.26Å; D241-S243 VanDerWaalsContact O-N 3.08Å; D241-F244 WeakPolarHBondContact O-CB 3.13Å; D241-F244 PolarHBondContact O-N 3.06Å; D241-R327 IonicContact OD1-NE 2.68Å |
| 242 | G | 89.7 | Confident | 92.5 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F244 I245 Y326 Y365 | G242-F244 VanDerWaalsContact C-N 3.33Å; G242-F244 PolarHBondContact O-N 2.97Å; G242-I245 WeakPolarHBondContact O-CG2 3.42Å; G242-Y326 WeakPolarHBondContact CA-O 3.4Å; G242-Y326 PolarHBondContact N-O 3.48Å; G242-Y326 VanDerWaalsContact N-O 3.13Å; G242-Y365 WeakPolarHBondContact O-CE2 3.29Å |
| 243 | S | 90.2 | Very high | 92.5 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 46% | 0.462 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.3 | 176.3 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | D241 I245 F246 | D241-S243 PolarHBondContact O-N 3.26Å; D241-S243 VanDerWaalsContact O-N 3.08Å; S243-I245 PolarHBondContact O-N 3.25Å; S243-F246 WeakPolarHBondContact O-CD2 3.42Å; S243-F246 PolarHBondContact O-N 2.88Å; S243-F246 VanDerWaalsContact O-N 3.11Å |
| 244 | F | 93.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -25.7 | -175.4 | -178.3 | -96.3 | 0 | 0 | 0 | 113.2 | L231 K240 D241 G242 F246 D247 L248 L328 | L231-F244 HydrophobicContact CD2-CE1 4.43Å; L231-F244 HydrophobicContact CD2-CZ 4.11Å; K240-F244 HydrophobicContact CB-CB 3.74Å; K240-F244 HydrophobicContact CB-CD1 4.09Å; K240-F244 HydrophobicContact CB-CG 3.91Å; K240-F244 HydrophobicContact CG-CB 4.32Å; K240-F244 HydrophobicContact CG-CD1 3.95Å; K240-F244 HydrophobicContact CG-CD2 4.33Å; K240-F244 HydrophobicContact CG-CE1 4.35Å; K240-F244 HydrophobicContact CG-CG 3.93Å; D241-F244 WeakPolarHBondContact O-CB 3.13Å; D241-F244 PolarHBondContact O-N 3.06Å; G242-F244 VanDerWaalsContact C-N 3.33Å; G242-F244 PolarHBondContact O-N 2.97Å; F244-F246 PolarHBondContact O-N 3.41Å; F244-D247 PolarHBondContact O-N 3.18Å; F244-L248 HydrophobicContact CE1-CB 4.35Å; F244-L248 HydrophobicContact CE1-CD2 4.46Å; F244-L248 PolarHBondContact O-N 3.36Å; F244-L248 VanDerWaalsContact O-N 3.13Å; F244-L328 HydrophobicContact CD1-CD2 3.74Å; F244-L328 HydrophobicContact CE1-CD2 4.43Å |
| 245 | I | 93.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -27.2 | 178 | -162 | 50.3 | 0 | 0 | 0 | 112.5 | G242 S243 L248 L249 F293 V297 L328 Y365 | G242-I245 WeakPolarHBondContact O-CG2 3.42Å; S243-I245 PolarHBondContact O-N 3.25Å; I245-L248 HydrophobicContact CD1-CD2 4.09Å; I245-L249 HydrophobicContact CD1-CD1 4.33Å; I245-L249 HydrophobicContact CD1-CG 4.24Å; I245-L249 HydrophobicContact CG1-CD1 3.91Å; I245-L249 HydrophobicContact CG1-CG 4.3Å; I245-L249 VanDerWaalsContact O-CB 3.3Å; I245-L249 WeakPolarHBondContact O-CB 3.4Å; I245-L249 VanDerWaalsContact O-CG 3.23Å; I245-L249 WeakPolarHBondContact O-CG 3.36Å; I245-L249 PolarHBondContact O-N 2.89Å; I245-F293 HydrophobicContact CD1-CE1 4.01Å; I245-F293 HydrophobicContact CD1-CZ 3.86Å; I245-F293 HydrophobicContact CG1-CE1 4.26Å; I245-F293 HydrophobicContact CG1-CZ 4.21Å; I245-V297 HydrophobicContact CG1-CG1 4.25Å; I245-V297 HydrophobicContact CG1-CG2 4.11Å; I245-V297 HydrophobicContact CG2-CG1 3.81Å; I245-L328 HydrophobicContact CB-CD1 4.22Å; I245-L328 HydrophobicContact CB-CD2 4.42Å; I245-L328 HydrophobicContact CD1-CD1 3.96Å; I245-L328 HydrophobicContact CD1-CD2 4.13Å; I245-L328 HydrophobicContact CG1-CD1 4.21Å; I245-Y365 HydrophobicContact CB-CE2 4.47Å; I245-Y365 HydrophobicContact CG2-CD2 4.29Å; I245-Y365 HydrophobicContact CG2-CE2 3.81Å |
| 246 | F | 92.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.9 | -31.9 | 179.9 | -56.9 | -66 | 0 | 0 | 0 | 112.6 | S243 F244 S250 V297 F298 L301 I323 | S243-F246 WeakPolarHBondContact O-CD2 3.42Å; S243-F246 PolarHBondContact O-N 2.88Å; S243-F246 VanDerWaalsContact O-N 3.11Å; F244-F246 PolarHBondContact O-N 3.41Å; F246-S250 WeakPolarHBondContact O-CB 3.45Å; F246-S250 PolarHBondContact O-N 2.99Å; F246-S250 PolarHBondContact O-OG 3.06Å; F246-S250 VanDerWaalsContact O-OG 3.14Å; F246-V297 HydrophobicContact CD1-CG1 4.14Å; F246-V297 HydrophobicContact CE1-CG1 3.56Å; F246-V297 HydrophobicContact CZ-CG1 4.2Å; F246-F298 HydrophobicContact CD1-CD1 4.38Å; F246-F298 AromaticContact CD1-CE1 3.84Å; F246-F298 HydrophobicContact CD1-CE1 3.84Å; F246-F298 HydrophobicContact CE1-CD1 4.12Å; F246-F298 HydrophobicContact CE1-CE1 4.04Å; F246-L301 HydrophobicContact CE1-CD1 4.04Å; F246-L301 HydrophobicContact CZ-CD1 4.47Å; F246-L301 HydrophobicContact CZ-CD2 4.36Å; F246-I323 HydrophobicContact CE2-CD1 3.83Å; F246-I323 HydrophobicContact CE2-CG1 4.22Å |
| 247 | D | 91.1 | Very high | 92.3 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -49.8 | 167.8 | 174 | 72.9 | 0 | 0 | 0 | 110.8 | F244 L249 S250 R251 | F244-D247 PolarHBondContact O-N 3.18Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 PolarHBondContact O-N 2.95Å; D247-S250 PolarHBondContact O-N 3.42Å; D247-S250 PolarHBondContact O-OG 2.81Å; D247-S250 VanDerWaalsContact O-OG 3.14Å; D247-R251 VanDerWaalsContact CG-CD 3.43Å; D247-R251 WeakPolarHBondContact O-CB 3.47Å; D247-R251 WeakPolarHBondContact O-CD 3.48Å; D247-R251 VanDerWaalsContact O-CG 3.27Å; D247-R251 WeakPolarHBondContact O-CG 3.47Å; D247-R251 PolarHBondContact O-N 2.78Å; D247-R251 VanDerWaalsContact OD1-CD 3.23Å; D247-R251 WeakPolarHBondContact OD1-CD 3.34Å; D247-R251 WeakPolarHBondContact OD2-CD 3.3Å; D247-R251 IonicContact OD2-CZ 3.8Å; D247-R251 IonicContact OD2-NE 2.65Å; D247-R251 IonicContact OD2-NH1 3.86Å; D247-R251 PolarHBondContact OD2-NH1 2.87Å |
| 248 | L | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | -177.8 | -172.5 | 66.7 | 0 | 0 | 0 | 111.8 | L224 L227 I228 L231 F244 I245 I363 | L224-L248 HydrophobicContact CD1-CG 4.38Å; L227-L248 HydrophobicContact CB-CD1 3.91Å; I228-L248 HydrophobicContact CG1-CD2 4.28Å; L231-L248 HydrophobicContact CD1-CD1 4.39Å; L231-L248 HydrophobicContact CD1-CD2 4.39Å; F244-L248 HydrophobicContact CE1-CB 4.35Å; F244-L248 HydrophobicContact CE1-CD2 4.46Å; F244-L248 PolarHBondContact O-N 3.36Å; F244-L248 VanDerWaalsContact O-N 3.13Å; I245-L248 HydrophobicContact CD1-CD2 4.09Å; L248-I363 HydrophobicContact CD2-CD1 4.16Å |
| 249 | L | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.6 | -42.3 | 175.9 | -69.3 | 172.7 | 0 | 0 | 0 | 112.4 | L224 I245 D247 R251 A252 G253 I254 L294 V297 F298 | L224-L249 HydrophobicContact CD1-CD2 3.9Å; L224-L249 HydrophobicContact CD2-CD2 3.9Å; I245-L249 HydrophobicContact CD1-CD1 4.33Å; I245-L249 HydrophobicContact CD1-CG 4.24Å; I245-L249 HydrophobicContact CG1-CD1 3.91Å; I245-L249 HydrophobicContact CG1-CG 4.3Å; I245-L249 VanDerWaalsContact O-CB 3.3Å; I245-L249 WeakPolarHBondContact O-CB 3.4Å; I245-L249 VanDerWaalsContact O-CG 3.23Å; I245-L249 WeakPolarHBondContact O-CG 3.36Å; I245-L249 PolarHBondContact O-N 2.89Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 PolarHBondContact O-N 2.95Å; L249-R251 VanDerWaalsContact C-N 3.27Å; L249-R251 PolarHBondContact O-N 3.3Å; L249-A252 CarbonylContact O-C 2.97Å; L249-A252 WeakPolarHBondContact O-CA 3.38Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 3.36Å; L249-G253 PolarHBondContact O-N 2.95Å; L249-I254 CarbonylContact C-O 3.54Å; L249-I254 HydrophobicContact CB-CB 4.13Å; L249-I254 HydrophobicContact CB-CG2 4.36Å; L249-I254 VanDerWaalsContact CB-O 3.26Å; L249-I254 WeakPolarHBondContact CB-O 3.4Å; L249-I254 HydrophobicContact CD2-CB 4.32Å; L249-I254 HydrophobicContact CD2-CD1 4.28Å; L249-I254 HydrophobicContact CD2-CG2 4.25Å; L249-I254 CarbonylContact O-C 3.56Å; L249-I254 WeakPolarHBondContact O-CA 3.23Å; L249-I254 WeakPolarHBondContact O-CB 3.39Å; L249-I254 PolarHBondContact O-N 3.3Å; L249-L294 HydrophobicContact CD1-CD2 4.05Å; L249-L294 HydrophobicContact CD2-CD2 3.86Å; L249-V297 HydrophobicContact CD1-CG1 3.78Å; L249-F298 HydrophobicContact CB-CZ 4.35Å; L249-F298 HydrophobicContact CD1-CE2 3.83Å; L249-F298 HydrophobicContact CD1-CZ 3.83Å |
| 250 | S | 92.8 | Very high | 91.5 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -35.3 | -177.8 | 72.8 | 0 | 0 | 0 | 0 | 112.1 | F246 D247 A252 G253 I254 | F246-S250 WeakPolarHBondContact O-CB 3.45Å; F246-S250 PolarHBondContact O-N 2.99Å; F246-S250 PolarHBondContact O-OG 3.06Å; F246-S250 VanDerWaalsContact O-OG 3.14Å; D247-S250 PolarHBondContact O-N 3.42Å; D247-S250 PolarHBondContact O-OG 2.81Å; D247-S250 VanDerWaalsContact O-OG 3.14Å; S250-A252 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 3.41Å; S250-G253 WeakPolarHBondContact O-CA 3.41Å; S250-G253 PolarHBondContact O-N 3.16Å; S250-I254 WeakPolarHBondContact CA-O 3.11Å; S250-I254 PolarHBondContact N-O 3.36Å |
| 251 | R | 93 | Very high | 91.2 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 48% | 0.475 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -32.7 | 172.6 | -71.5 | 163.9 | 59.1 | -176.3 | -0.3 | 112.8 | L227 D247 L249 G253 | L227-R251 HydrophobicContact CD1-CB 3.65Å; L227-R251 HydrophobicContact CD2-CB 4.41Å; D247-R251 VanDerWaalsContact CG-CD 3.43Å; D247-R251 WeakPolarHBondContact O-CB 3.47Å; D247-R251 WeakPolarHBondContact O-CD 3.48Å; D247-R251 VanDerWaalsContact O-CG 3.27Å; D247-R251 WeakPolarHBondContact O-CG 3.47Å; D247-R251 PolarHBondContact O-N 2.78Å; D247-R251 VanDerWaalsContact OD1-CD 3.23Å; D247-R251 WeakPolarHBondContact OD1-CD 3.34Å; D247-R251 WeakPolarHBondContact OD2-CD 3.3Å; D247-R251 IonicContact OD2-CZ 3.8Å; D247-R251 IonicContact OD2-NE 2.65Å; D247-R251 IonicContact OD2-NH1 3.86Å; D247-R251 PolarHBondContact OD2-NH1 2.87Å; L249-R251 VanDerWaalsContact C-N 3.27Å; L249-R251 PolarHBondContact O-N 3.3Å; R251-G253 PolarHBondContact O-N 2.93Å |
| 252 | A | 94.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 1.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q220 E223 L224 L227 L249 S250 I254 | Q220-A252 WeakPolarHBondContact CA-O 3.22Å; Q220-A252 WeakPolarHBondContact CG-O 3.15Å; E223-A252 HydrophobicContact CG-CB 4.38Å; L224-A252 HydrophobicContact CB-CB 3.8Å; L224-A252 HydrophobicContact CD1-CB 4.28Å; L227-A252 HydrophobicContact CD1-CB 4.02Å; L249-A252 CarbonylContact O-C 2.97Å; L249-A252 WeakPolarHBondContact O-CA 3.38Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 3.36Å; S250-A252 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 3.41Å; A252-I254 VanDerWaalsContact C-N 3.3Å; A252-I254 HydrophobicContact CB-CD1 4.3Å; A252-I254 HydrophobicContact CB-CG1 4.28Å |
| 253 | G | 92.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 16.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q220 L249 S250 R251 | Q220-G253 PolarHBondContact NE2-O 2.89Å; L249-G253 PolarHBondContact O-N 2.95Å; S250-G253 WeakPolarHBondContact O-CA 3.41Å; S250-G253 PolarHBondContact O-N 3.16Å; R251-G253 PolarHBondContact O-N 2.93Å |
| 254 | I | 94 | Very high | 91 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -108.6 | 107.3 | -178.5 | -55.4 | 176.5 | 0 | 0 | 0 | 109.3 | Q220 L224 L249 S250 A252 I262 L294 F298 | Q220-I254 HydrophobicContact CB-CD1 4.15Å; Q220-I254 HydrophobicContact CB-CG1 3.94Å; Q220-I254 HydrophobicContact CG-CG1 4.36Å; L224-I254 HydrophobicContact CD2-CD1 4.21Å; L249-I254 CarbonylContact C-O 3.54Å; L249-I254 HydrophobicContact CB-CB 4.13Å; L249-I254 HydrophobicContact CB-CG2 4.36Å; L249-I254 VanDerWaalsContact CB-O 3.26Å; L249-I254 WeakPolarHBondContact CB-O 3.4Å; L249-I254 HydrophobicContact CD2-CB 4.32Å; L249-I254 HydrophobicContact CD2-CD1 4.28Å; L249-I254 HydrophobicContact CD2-CG2 4.25Å; L249-I254 CarbonylContact O-C 3.56Å; L249-I254 WeakPolarHBondContact O-CA 3.23Å; L249-I254 WeakPolarHBondContact O-CB 3.39Å; L249-I254 PolarHBondContact O-N 3.3Å; S250-I254 WeakPolarHBondContact CA-O 3.11Å; S250-I254 PolarHBondContact N-O 3.36Å; A252-I254 VanDerWaalsContact C-N 3.3Å; A252-I254 HydrophobicContact CB-CD1 4.3Å; A252-I254 HydrophobicContact CB-CG1 4.28Å; I254-I262 HydrophobicContact CB-CD1 4.34Å; I254-I262 HydrophobicContact CG1-CD1 3.99Å; I254-I262 HydrophobicContact CG2-CD1 3.87Å; I254-L294 HydrophobicContact CG2-CD1 4.4Å; I254-L294 HydrophobicContact CG2-CD2 3.87Å; I254-F298 HydrophobicContact CG2-CE2 3.87Å; I254-F298 HydrophobicContact CG2-CZ 4.26Å | ||
| 255 | N | 91.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | trans | -132.3 | 174.1 | 176.6 | 62 | 50.2 | 0 | 0 | 0 | 111 | W257 T258 N259 | N255-W257 VanDerWaalsContact C-N 3.27Å; N255-W257 PolarHBondContact O-N 3.17Å; N255-W257 WeakPolarHBondContact OD1-CB 3.21Å; N255-W257 PolarHBondContact OD1-N 3.48Å; N255-W257 VanDerWaalsContact OD1-N 3.11Å; N255-T258 PolarHBondContact N-OG1 3.09Å; N255-T258 PolarHBondContact O-N 2.75Å; N255-T258 VanDerWaalsContact O-N 3.15Å; N255-T258 PolarHBondContact O-OG1 3.44Å; N255-T258 PolarHBondContact OD1-N 2.78Å; N255-T258 PolarHBondContact OD1-OG1 2.82Å; N255-N259 WeakPolarHBondContact O-CB 3.48Å; N255-N259 PolarHBondContact O-N 2.81Å | ||
| 256 | H | 84.8 | Confident | 90.5 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -50.1 | -43.5 | -178.7 | -178.1 | -100.4 | 0 | 0 | 0 | 113.5 | N259 F298 L301 | H256-N259 PolarHBondContact O-N 3.15Å; H256-F298 HydrophobicContact CB-CD1 4.05Å; H256-F298 HydrophobicContact CB-CE1 4.39Å; H256-L301 HydrophobicContact CB-CD1 4.3Å |
| 257 | W | 85.9 | Confident | 90 | Very high | 193 Ų | 193 | 47.4 Ų | 47.4 | 73% | 0.731 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66 | -49.2 | -179.9 | -34.2 | 109.1 | 0 | 0 | 0 | 111.5 | N255 N259 | N255-W257 VanDerWaalsContact C-N 3.27Å; N255-W257 PolarHBondContact O-N 3.17Å; N255-W257 WeakPolarHBondContact OD1-CB 3.21Å; N255-W257 PolarHBondContact OD1-N 3.48Å; N255-W257 VanDerWaalsContact OD1-N 3.11Å; W257-N259 VanDerWaalsContact C-N 3.31Å; W257-N259 PolarHBondContact O-N 3.25Å |
| 258 | T | 90.7 | Very high | 89.6 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -25.1 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | N255 N260 T261 I262 | N255-T258 PolarHBondContact N-OG1 3.09Å; N255-T258 PolarHBondContact O-N 2.75Å; N255-T258 VanDerWaalsContact O-N 3.15Å; N255-T258 PolarHBondContact O-OG1 3.44Å; N255-T258 PolarHBondContact OD1-N 2.78Å; N255-T258 PolarHBondContact OD1-OG1 2.82Å; T258-N260 VanDerWaalsContact C-N 3.26Å; T258-N260 PolarHBondContact O-N 3.22Å; T258-T261 PolarHBondContact O-N 2.8Å; T258-I262 WeakPolarHBondContact O-CG1 3.15Å; T258-I262 PolarHBondContact O-N 3.47Å |
| 259 | N | 89.2 | Confident | 89.2 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -42.2 | -178.7 | 171.1 | 66.8 | 0 | 0 | 0 | 110.8 | N255 H256 W257 T261 I262 Q263 F298 | N255-N259 WeakPolarHBondContact O-CB 3.48Å; N255-N259 PolarHBondContact O-N 2.81Å; H256-N259 PolarHBondContact O-N 3.15Å; W257-N259 VanDerWaalsContact C-N 3.31Å; W257-N259 PolarHBondContact O-N 3.25Å; N259-T261 PolarHBondContact O-N 3.25Å; N259-I262 CarbonylContact O-C 3.6Å; N259-I262 WeakPolarHBondContact O-CB 3.48Å; N259-I262 PolarHBondContact O-N 2.97Å; N259-I262 VanDerWaalsContact O-N 3.13Å; N259-Q263 VanDerWaalsContact O-CG 3.32Å; N259-Q263 WeakPolarHBondContact O-CG 3.4Å; N259-Q263 PolarHBondContact O-N 3.15Å; N259-Q263 PolarHBondContact OD1-NE2 2.8Å; N259-F298 HydrophobicContact CB-CB 4.45Å; N259-F298 HydrophobicContact CB-CD2 3.75Å; N259-F298 HydrophobicContact CB-CE2 4.22Å; N259-F298 HydrophobicContact CB-CG 4.14Å |
| 260 | N | 86.6 | Confident | 88.4 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 179.3 | -69.7 | -2.6 | 0 | 0 | 0 | 111.3 | T258 I262 Q263 T264 | T258-N260 VanDerWaalsContact C-N 3.26Å; T258-N260 PolarHBondContact O-N 3.22Å; N260-I262 PolarHBondContact O-N 3.01Å; N260-Q263 PolarHBondContact O-N 3.16Å; N260-T264 PolarHBondContact O-N 3.33Å; N260-T264 PolarHBondContact O-OG1 3.19Å |
| 261 | T | 89.5 | Confident | 87.5 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 173.5 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | T258 N259 Q263 T264 V265 | T258-T261 PolarHBondContact O-N 2.8Å; N259-T261 PolarHBondContact O-N 3.25Å; T261-Q263 PolarHBondContact O-N 3.46Å; T261-T264 PolarHBondContact O-N 3.35Å; T261-V265 HydrophobicContact CG2-CG2 4.48Å; T261-V265 VanDerWaalsContact O-CG2 3.24Å; T261-V265 WeakPolarHBondContact O-CG2 3.46Å; T261-V265 PolarHBondContact O-N 2.87Å |
| 262 | I | 91.9 | Very high | 86.8 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 177.1 | -71.5 | 163.1 | 0 | 0 | 0 | 111.1 | L217 I254 T258 N259 N260 V265 I266 L294 | L217-I262 HydrophobicContact CD1-CG1 4.3Å; L217-I262 HydrophobicContact CD1-CG2 3.83Å; I254-I262 HydrophobicContact CB-CD1 4.34Å; I254-I262 HydrophobicContact CG1-CD1 3.99Å; I254-I262 HydrophobicContact CG2-CD1 3.87Å; T258-I262 WeakPolarHBondContact O-CG1 3.15Å; T258-I262 PolarHBondContact O-N 3.47Å; N259-I262 CarbonylContact O-C 3.6Å; N259-I262 WeakPolarHBondContact O-CB 3.48Å; N259-I262 PolarHBondContact O-N 2.97Å; N259-I262 VanDerWaalsContact O-N 3.13Å; N260-I262 PolarHBondContact O-N 3.01Å; I262-V265 PolarHBondContact O-N 2.81Å; I262-I266 HydrophobicContact CG2-CD1 3.66Å; I262-I266 HydrophobicContact CG2-CG1 4.39Å; I262-I266 WeakPolarHBondContact O-CB 3.31Å; I262-I266 VanDerWaalsContact O-CG1 3.24Å; I262-I266 WeakPolarHBondContact O-CG1 3.36Å; I262-I266 PolarHBondContact O-N 2.88Å; I262-L294 HydrophobicContact CG2-CD1 3.8Å |
| 263 | Q | 88 | Confident | 85.8 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 176.2 | -61.9 | -54.8 | -32.5 | 0 | 0 | 111 | N259 N260 T261 V265 I266 D267 S291 K295 | N259-Q263 VanDerWaalsContact O-CG 3.32Å; N259-Q263 WeakPolarHBondContact O-CG 3.4Å; N259-Q263 PolarHBondContact O-N 3.15Å; N259-Q263 PolarHBondContact OD1-NE2 2.8Å; N260-Q263 PolarHBondContact O-N 3.16Å; T261-Q263 PolarHBondContact O-N 3.46Å; Q263-V265 VanDerWaalsContact C-N 3.34Å; Q263-V265 PolarHBondContact O-N 3.38Å; Q263-I266 PolarHBondContact O-N 3.27Å; Q263-D267 WeakPolarHBondContact O-CB 3.23Å; Q263-D267 PolarHBondContact O-N 3.06Å; Q263-S291 PolarHBondContact NE2-O 3.22Å; Q263-S291 PolarHBondContact OE1-OG 2.69Å; Q263-K295 HydrophobicContact CG-CG 4.41Å |
| 264 | T | 87.6 | Confident | 84.6 | Confident | 76 Ų | 76 | 42.5 Ų | 42.5 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 175.8 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | N260 T261 D267 E268 | N260-T264 PolarHBondContact O-N 3.33Å; N260-T264 PolarHBondContact O-OG1 3.19Å; T261-T264 PolarHBondContact O-N 3.35Å; T264-D267 PolarHBondContact O-N 3.12Å; T264-E268 HydrophobicContact CG2-CG 4.44Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.33Å; T264-E268 WeakPolarHBondContact O-CB 3.47Å; T264-E268 VanDerWaalsContact O-CG 3.24Å; T264-E268 WeakPolarHBondContact O-CG 3.15Å; T264-E268 PolarHBondContact O-N 3.24Å |
| 265 | V | 89.8 | Confident | 83.2 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 178.2 | 177 | 0 | 0 | 0 | 0 | 111.9 | K213 M214 L217 T261 I262 Q263 I269 | K213-V265 HydrophobicContact CB-CG1 4.33Å; K213-V265 HydrophobicContact CB-CG2 3.67Å; K213-V265 HydrophobicContact CD-CG2 3.44Å; K213-V265 VanDerWaalsContact CD-CG2 3.44Å; K213-V265 HydrophobicContact CG-CG2 4.08Å; M214-V265 HydrophobicContact CG-CG1 4.41Å; L217-V265 HydrophobicContact CB-CG1 4.33Å; L217-V265 HydrophobicContact CD2-CB 4.35Å; L217-V265 HydrophobicContact CD2-CG1 3.69Å; T261-V265 HydrophobicContact CG2-CG2 4.48Å; T261-V265 VanDerWaalsContact O-CG2 3.24Å; T261-V265 WeakPolarHBondContact O-CG2 3.46Å; T261-V265 PolarHBondContact O-N 2.87Å; I262-V265 PolarHBondContact O-N 2.81Å; Q263-V265 VanDerWaalsContact C-N 3.34Å; Q263-V265 PolarHBondContact O-N 3.38Å; V265-I269 HydrophobicContact CG1-CD1 3.85Å; V265-I269 HydrophobicContact CG1-CG1 4.43Å; V265-I269 WeakPolarHBondContact O-CB 3.24Å; V265-I269 WeakPolarHBondContact O-CD1 3.14Å; V265-I269 WeakPolarHBondContact O-CG1 3.31Å; V265-I269 PolarHBondContact O-N 3.02Å |
| 266 | I | 88.1 | Confident | 82 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.9 | -71.4 | 169.8 | 0 | 0 | 0 | 110.7 | L217 I262 Q263 I269 M270 L287 V290 | L217-I266 HydrophobicContact CD2-CG1 3.79Å; I262-I266 HydrophobicContact CG2-CD1 3.66Å; I262-I266 HydrophobicContact CG2-CG1 4.39Å; I262-I266 WeakPolarHBondContact O-CB 3.31Å; I262-I266 VanDerWaalsContact O-CG1 3.24Å; I262-I266 WeakPolarHBondContact O-CG1 3.36Å; I262-I266 PolarHBondContact O-N 2.88Å; Q263-I266 PolarHBondContact O-N 3.27Å; I266-I269 PolarHBondContact O-N 2.91Å; I266-M270 HydrophobicContact CG2-CE 3.68Å; I266-M270 HydrophobicContact CG2-CG 4.42Å; I266-M270 HydrophobicContact CG2-SD 4.23Å; I266-M270 WeakPolarHBondContact O-CB 3.3Å; I266-M270 VanDerWaalsContact O-CG 3.28Å; I266-M270 WeakPolarHBondContact O-CG 3.18Å; I266-M270 PolarHBondContact O-N 2.84Å; I266-L287 HydrophobicContact CB-CD2 4.37Å; I266-L287 HydrophobicContact CB-CG 4.33Å; I266-L287 HydrophobicContact CD1-CD1 4.34Å; I266-L287 HydrophobicContact CD1-CG 4.49Å; I266-L287 HydrophobicContact CG1-CD1 3.93Å; I266-L287 HydrophobicContact CG1-CD2 4.25Å; I266-L287 HydrophobicContact CG1-CG 3.93Å; I266-L287 HydrophobicContact CG2-CD2 3.97Å; I266-L287 HydrophobicContact CG2-CG 3.77Å; I266-V290 HydrophobicContact CD1-CG1 4.36Å |
| 267 | D | 81.4 | Confident | 80.8 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.8 | -37.1 | 177.7 | -70.9 | -35.6 | 0 | 0 | 0 | 111.9 | Q263 T264 M270 S271 K295 | Q263-D267 WeakPolarHBondContact O-CB 3.23Å; Q263-D267 PolarHBondContact O-N 3.06Å; T264-D267 PolarHBondContact O-N 3.12Å; D267-M270 PolarHBondContact O-N 3.17Å; D267-M270 WeakPolarHBondContact OD1-CE 3.44Å; D267-S271 VanDerWaalsContact O-CB 3.31Å; D267-S271 WeakPolarHBondContact O-CB 3.39Å; D267-S271 PolarHBondContact O-N 3.29Å; D267-K295 IonicContact OD2-NZ 2.87Å |
| 268 | E | 83.2 | Confident | 79.8 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -54.7 | 168.3 | -76.8 | 167.4 | -168 | 0 | 0 | 110.4 | L209 K213 T264 M270 S271 F272 | L209-E268 HydrophobicContact CD2-CB 3.84Å; K213-E268 IonicContact NZ-OE1 3.26Å; K213-E268 PolarHBondContact NZ-OE1 3.48Å; K213-E268 IonicContact NZ-OE2 2.85Å; K213-E268 PolarHBondContact NZ-OE2 2.69Å; T264-E268 HydrophobicContact CG2-CG 4.44Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.33Å; T264-E268 WeakPolarHBondContact O-CB 3.47Å; T264-E268 VanDerWaalsContact O-CG 3.24Å; T264-E268 WeakPolarHBondContact O-CG 3.15Å; T264-E268 PolarHBondContact O-N 3.24Å; E268-M270 PolarHBondContact O-N 3.14Å; E268-S271 WeakPolarHBondContact O-CB 3.32Å; E268-S271 PolarHBondContact O-N 2.79Å; E268-F272 PolarHBondContact O-N 3.04Å; E268-F272 VanDerWaalsContact O-N 3.07Å |
| 269 | I | 84 | Confident | 78.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 179.1 | -71.6 | 168.8 | 0 | 0 | 0 | 111.6 | V152 V155 L209 M214 L217 V265 I266 S271 F272 T273 L287 | V152-I269 HydrophobicContact CG1-CD1 4.29Å; V152-I269 HydrophobicContact CG2-CD1 4.17Å; V155-I269 HydrophobicContact CB-CG2 4.47Å; V155-I269 HydrophobicContact CG1-CG1 4.37Å; V155-I269 HydrophobicContact CG1-CG2 4.3Å; V155-I269 HydrophobicContact CG2-CG2 3.77Å; L209-I269 HydrophobicContact CD2-CG1 3.97Å; M214-I269 HydrophobicContact CG-CD1 3.98Å; M214-I269 HydrophobicContact CG-CG1 4.18Å; M214-I269 HydrophobicContact SD-CD1 4.15Å; M214-I269 HydrophobicContact SD-CG1 3.89Å; L217-I269 HydrophobicContact CD2-CD1 4.03Å; V265-I269 HydrophobicContact CG1-CD1 3.85Å; V265-I269 HydrophobicContact CG1-CG1 4.43Å; V265-I269 WeakPolarHBondContact O-CB 3.24Å; V265-I269 WeakPolarHBondContact O-CD1 3.14Å; V265-I269 WeakPolarHBondContact O-CG1 3.31Å; V265-I269 PolarHBondContact O-N 3.02Å; I266-I269 PolarHBondContact O-N 2.91Å; I269-S271 VanDerWaalsContact C-N 3.32Å; I269-S271 PolarHBondContact O-N 3.22Å; I269-F272 PolarHBondContact O-N 3.33Å; I269-T273 WeakPolarHBondContact O-CB 3.48Å; I269-T273 PolarHBondContact O-N 2.77Å; I269-T273 PolarHBondContact O-OG1 2.79Å; I269-L287 HydrophobicContact CB-CD2 4.03Å; I269-L287 HydrophobicContact CD1-CD2 4.39Å; I269-L287 HydrophobicContact CG2-CD2 3.56Å |
| 270 | M | 79.3 | Confident | 76.9 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 178.5 | -75.3 | -169.7 | -56.4 | 0 | 0 | 111.7 | I266 D267 E268 N274 L287 H288 | I266-M270 HydrophobicContact CG2-CE 3.68Å; I266-M270 HydrophobicContact CG2-CG 4.42Å; I266-M270 HydrophobicContact CG2-SD 4.23Å; I266-M270 WeakPolarHBondContact O-CB 3.3Å; I266-M270 VanDerWaalsContact O-CG 3.28Å; I266-M270 WeakPolarHBondContact O-CG 3.18Å; I266-M270 PolarHBondContact O-N 2.84Å; D267-M270 PolarHBondContact O-N 3.17Å; D267-M270 WeakPolarHBondContact OD1-CE 3.44Å; E268-M270 PolarHBondContact O-N 3.14Å; M270-N274 WeakPolarHBondContact O-CB 3.32Å; M270-N274 PolarHBondContact O-N 3.06Å; M270-N274 VanDerWaalsContact O-N 3.1Å; M270-N274 PolarHBondContact O-ND2 3Å; M270-L287 HydrophobicContact CG-CD2 4.38Å; M270-H288 HydrophobicContact SD-CB 4.38Å |
| 271 | S | 74.2 | Confident | 75.9 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.6 | -53.4 | 174.6 | -166.7 | 0 | 0 | 0 | 0 | 111 | D267 E268 I269 T273 N274 S275 | D267-S271 VanDerWaalsContact O-CB 3.31Å; D267-S271 WeakPolarHBondContact O-CB 3.39Å; D267-S271 PolarHBondContact O-N 3.29Å; E268-S271 WeakPolarHBondContact O-CB 3.32Å; E268-S271 PolarHBondContact O-N 2.79Å; I269-S271 VanDerWaalsContact C-N 3.32Å; I269-S271 PolarHBondContact O-N 3.22Å; S271-T273 PolarHBondContact O-N 3.06Å; S271-N274 WeakPolarHBondContact O-CB 3.49Å; S271-N274 PolarHBondContact O-N 3.43Å; S271-N274 VanDerWaalsContact O-N 3.07Å; S271-S275 PolarHBondContact O-N 3.16Å |
| 272 | F | 77.2 | Confident | 74.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 175.9 | 170 | -103.4 | 0 | 0 | 0 | 113.5 | V155 V158 V159 A205 I206 L209 E268 I269 N274 S275 T276 I281 | V155-F272 HydrophobicContact CG1-CD1 3.88Å; V155-F272 HydrophobicContact CG1-CE1 3.96Å; V158-F272 HydrophobicContact CG1-CZ 4.25Å; V159-F272 HydrophobicContact CG2-CE1 4.24Å; V159-F272 HydrophobicContact CG2-CZ 4.1Å; A205-F272 HydrophobicContact CB-CD2 4.14Å; I206-F272 HydrophobicContact CD1-CE2 4.28Å; I206-F272 HydrophobicContact CG1-CD2 4.21Å; I206-F272 HydrophobicContact CG1-CE2 3.47Å; I206-F272 VanDerWaalsContact CG1-CE2 3.47Å; I206-F272 HydrophobicContact CG1-CZ 4.26Å; L209-F272 HydrophobicContact CD1-CB 3.58Å; L209-F272 HydrophobicContact CD1-CD1 3.54Å; L209-F272 HydrophobicContact CD1-CD2 3.9Å; L209-F272 HydrophobicContact CD1-CE1 4.15Å; L209-F272 HydrophobicContact CD1-CE2 4.47Å; L209-F272 HydrophobicContact CD1-CG 3.38Å; L209-F272 HydrophobicContact CG-CB 4.36Å; E268-F272 PolarHBondContact O-N 3.04Å; E268-F272 VanDerWaalsContact O-N 3.07Å; I269-F272 PolarHBondContact O-N 3.33Å; F272-N274 PolarHBondContact O-N 3.19Å; F272-S275 WeakPolarHBondContact CA-OG 3.43Å; F272-S275 PolarHBondContact O-N 3.3Å; F272-S275 PolarHBondContact O-OG 3.34Å; F272-S275 VanDerWaalsContact O-OG 3.07Å; F272-T276 HydrophobicContact CD2-CG2 3.76Å; F272-T276 HydrophobicContact CE1-CG2 4.28Å; F272-T276 HydrophobicContact CE2-CG2 3.28Å; F272-T276 HydrophobicContact CG-CG2 4.42Å; F272-T276 HydrophobicContact CZ-CG2 3.6Å; F272-T276 WeakPolarHBondContact O-CB 3.22Å; F272-T276 PolarHBondContact O-N 2.92Å; F272-T276 PolarHBondContact O-OG1 3.41Å; F272-I281 HydrophobicContact CE1-CD1 4.06Å |
| 273 | T | 74.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.3 | -21.3 | 178 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | I269 S271 I281 T284 | I269-T273 WeakPolarHBondContact O-CB 3.48Å; I269-T273 PolarHBondContact O-N 2.77Å; I269-T273 PolarHBondContact O-OG1 2.79Å; S271-T273 PolarHBondContact O-N 3.06Å; T273-I281 HydrophobicContact CG2-CB 4.12Å; T273-I281 HydrophobicContact CG2-CG2 3.73Å; T273-I281 WeakPolarHBondContact CG2-O 3.48Å; T273-T284 HydrophobicContact CG2-CG2 3.47Å; T273-T284 VanDerWaalsContact CG2-CG2 3.47Å |
| 274 | N | 66.1 | Low | 72.4 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.4 | -27.9 | 174.4 | -68.2 | -35.9 | 0 | 0 | 0 | 113 | M270 S271 F272 | M270-N274 WeakPolarHBondContact O-CB 3.32Å; M270-N274 PolarHBondContact O-N 3.06Å; M270-N274 VanDerWaalsContact O-N 3.1Å; M270-N274 PolarHBondContact O-ND2 3Å; S271-N274 WeakPolarHBondContact O-CB 3.49Å; S271-N274 PolarHBondContact O-N 3.43Å; S271-N274 VanDerWaalsContact O-N 3.07Å; F272-N274 PolarHBondContact O-N 3.19Å |
| 275 | S | 65.3 | Low | 71.8 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -80.8 | -35.1 | 176 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | S271 F272 | S271-S275 PolarHBondContact O-N 3.16Å; F272-S275 WeakPolarHBondContact CA-OG 3.43Å; F272-S275 PolarHBondContact O-N 3.3Å; F272-S275 PolarHBondContact O-OG 3.34Å; F272-S275 VanDerWaalsContact O-OG 3.07Å |
| 276 | T | 66.5 | Low | 71.6 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | trans | -76.5 | 141.6 | -175 | 47 | 0 | 0 | 0 | 0 | 114.6 | E202 F272 N278 | E202-T276 HydrophobicContact CG-CG2 4.22Å; E202-T276 VanDerWaalsContact OE1-CA 3.24Å; E202-T276 WeakPolarHBondContact OE1-CA 3.35Å; F272-T276 HydrophobicContact CD2-CG2 3.76Å; F272-T276 HydrophobicContact CE1-CG2 4.28Å; F272-T276 HydrophobicContact CE2-CG2 3.28Å; F272-T276 HydrophobicContact CG-CG2 4.42Å; F272-T276 HydrophobicContact CZ-CG2 3.6Å; F272-T276 WeakPolarHBondContact O-CB 3.22Å; F272-T276 PolarHBondContact O-N 2.92Å; F272-T276 PolarHBondContact O-OG1 3.41Å; T276-N278 VanDerWaalsContact C-N 3.3Å; T276-N278 PolarHBondContact O-N 3.25Å | ||
| 277 | H | 59.7 | Low | 71.5 | Confident | 120 Ų | 120 | 51.2 Ų | 51.2 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | trans | -78.3 | -8.1 | 177.1 | -72.5 | -62.4 | 0 | 0 | 0 | 114.2 | E202 V279 R282 | E202-H277 IonicContact OE1-CD2 3.72Å; E202-H277 PolarHBondContact OE1-N 2.99Å; H277-V279 PolarHBondContact O-N 2.72Å; H277-R282 PolarHBondContact O-NH2 3.37Å | ||
| 278 | N | 64.3 | Low | 71.7 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | trans | -66.1 | 117.2 | -175.1 | -170.8 | -24.3 | 0 | 0 | 0 | 113.4 | T276 K280 I281 R282 | T276-N278 VanDerWaalsContact C-N 3.3Å; T276-N278 PolarHBondContact O-N 3.25Å; N278-K280 VanDerWaalsContact C-N 3.33Å; N278-K280 PolarHBondContact O-N 3.38Å; N278-K280 WeakPolarHBondContact OD1-CB 3.3Å; N278-K280 PolarHBondContact OD1-N 3.17Å; N278-I281 HydrophobicContact CB-CD1 3.93Å; N278-I281 HydrophobicContact CB-CG1 4.03Å; N278-R282 WeakPolarHBondContact O-CG 3.27Å | ||
| 279 | V | 59.9 | Low | 71.8 | Confident | 110 Ų | 110 | 50.6 Ų | 50.6 | 67% | 0.667 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27 | -176.4 | -179.8 | 0 | 0 | 0 | 0 | 113.2 | H277 I281 | H277-V279 PolarHBondContact O-N 2.72Å; V279-I281 VanDerWaalsContact C-N 3.33Å; V279-I281 PolarHBondContact O-N 2.97Å |
| 280 | K | 59.1 | Low | 72.3 | Confident | 174 Ų | 174 | 50.7 Ų | 50.7 | 76% | 0.757 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -39.4 | -179.1 | -68.1 | -176.1 | 176.9 | -179.3 | 0 | 112.4 | N278 | N278-K280 VanDerWaalsContact C-N 3.33Å; N278-K280 PolarHBondContact O-N 3.38Å; N278-K280 WeakPolarHBondContact OD1-CB 3.3Å; N278-K280 PolarHBondContact OD1-N 3.17Å |
| 281 | I | 65.2 | Low | 72.8 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -20.7 | -170.4 | -37.2 | 179.8 | 0 | 0 | 0 | 112 | H151 V155 V158 F272 T273 N278 V279 K283 | H151-I281 PolarHBondContact CD2-O 2.68Å; H151-I281 PolarHBondContact NE2-O 3.12Å; H151-I281 VanDerWaalsContact NE2-O 3.09Å; V155-I281 HydrophobicContact CG2-CG2 3.43Å; V155-I281 VanDerWaalsContact CG2-CG2 3.43Å; V158-I281 HydrophobicContact CB-CD1 4Å; V158-I281 HydrophobicContact CG1-CD1 4.05Å; V158-I281 HydrophobicContact CG2-CD1 3.82Å; V158-I281 HydrophobicContact CG2-CG1 4.26Å; F272-I281 HydrophobicContact CE1-CD1 4.06Å; T273-I281 HydrophobicContact CG2-CB 4.12Å; T273-I281 HydrophobicContact CG2-CG2 3.73Å; T273-I281 WeakPolarHBondContact CG2-O 3.48Å; N278-I281 HydrophobicContact CB-CD1 3.93Å; N278-I281 HydrophobicContact CB-CG1 4.03Å; V279-I281 VanDerWaalsContact C-N 3.33Å; V279-I281 PolarHBondContact O-N 2.97Å; I281-K283 PolarHBondContact O-N 3.31Å |
| 282 | R | 59.6 | Low | 73.3 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | trans | -60.3 | 6.3 | -165.8 | -71.8 | -172 | -166.5 | -178.1 | 7.1 | 118.3 | Y31 H277 N278 T284 | Y31-R282 HydrophobicContact CE1-CB 4.49Å; Y31-R282 WeakPolarHBondContact OH-CB 3.36Å; Y31-R282 WeakPolarHBondContact OH-CG 3.47Å; Y31-R282 PolarHBondContact OH-O 3.43Å; H277-R282 PolarHBondContact O-NH2 3.37Å; N278-R282 WeakPolarHBondContact O-CG 3.27Å; R282-T284 PolarHBondContact O-N 2.91Å | ||
| 283 | K | 64.4 | Low | 74.1 | Confident | 132 Ų | 132 | 47.4 Ų | 47.4 | 57% | 0.574 | 23% | 0.229 | S | C | * | . | trans | -96.2 | 56.6 | -179 | -68.1 | -175.7 | 179.2 | 176.7 | 0 | 113.1 | I281 K285 | I281-K283 PolarHBondContact O-N 3.31Å; K283-K285 PolarHBondContact O-N 3.37Å | ||
| 284 | T | 70.6 | Confident | 75 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8.8 | -178.5 | 57.9 | 0 | 0 | 0 | 0 | 115.5 | T273 R282 G286 L287 H288 | T273-T284 HydrophobicContact CG2-CG2 3.47Å; T273-T284 VanDerWaalsContact CG2-CG2 3.47Å; R282-T284 PolarHBondContact O-N 2.91Å; T284-G286 PolarHBondContact O-N 3.49Å; T284-L287 PolarHBondContact O-N 3.3Å; T284-H288 PolarHBondContact O-N 2.77Å |
| 285 | K | 75.7 | Confident | 76 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.6 | -47.3 | -171.1 | -175.9 | 173.7 | 178.3 | 170.2 | 0 | 113.2 | S27 L144 K283 L287 H288 E289 | S27-K285 PolarHBondContact OG-NZ 3.16Å; L144-K285 HydrophobicContact CD2-CD 4.19Å; L144-K285 HydrophobicContact CD2-CG 4.15Å; K283-K285 PolarHBondContact O-N 3.37Å; K285-L287 VanDerWaalsContact C-N 3.32Å; K285-L287 PolarHBondContact O-N 3.42Å; K285-H288 PolarHBondContact O-N 2.73Å; K285-E289 WeakPolarHBondContact CE-OE1 3.48Å; K285-E289 HydrophobicContact CG-CG 4.02Å; K285-E289 IonicContact NZ-OE1 2.86Å; K285-E289 PolarHBondContact NZ-OE1 3.47Å; K285-E289 VanDerWaalsContact NZ-OE1 3.16Å; K285-E289 WeakPolarHBondContact O-CG 3.49Å; K285-E289 PolarHBondContact O-N 3.11Å |
| 286 | G | 85.1 | Confident | 77 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L144 T284 H288 E289 V290 | L144-G286 WeakPolarHBondContact O-CA 3.4Å; T284-G286 PolarHBondContact O-N 3.49Å; G286-H288 PolarHBondContact O-N 2.55Å; G286-E289 PolarHBondContact O-N 3.16Å; G286-V290 WeakPolarHBondContact O-CG2 3.3Å; G286-V290 PolarHBondContact O-N 3.17Å |
| 287 | L | 87.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | -178.7 | -158.5 | 69.3 | 0 | 0 | 0 | 112.6 | A148 V152 L217 L221 I266 I269 M270 T284 K285 V290 S291 | A148-L287 HydrophobicContact CB-CD1 4.18Å; V152-L287 HydrophobicContact CG2-CD1 3.68Å; V152-L287 HydrophobicContact CG2-CD2 4.48Å; L217-L287 HydrophobicContact CD2-CD1 4.45Å; L221-L287 HydrophobicContact CD1-CD1 4.34Å; I266-L287 HydrophobicContact CB-CD2 4.37Å; I266-L287 HydrophobicContact CB-CG 4.33Å; I266-L287 HydrophobicContact CD1-CD1 4.34Å; I266-L287 HydrophobicContact CD1-CG 4.49Å; I266-L287 HydrophobicContact CG1-CD1 3.93Å; I266-L287 HydrophobicContact CG1-CD2 4.25Å; I266-L287 HydrophobicContact CG1-CG 3.93Å; I266-L287 HydrophobicContact CG2-CD2 3.97Å; I266-L287 HydrophobicContact CG2-CG 3.77Å; I269-L287 HydrophobicContact CB-CD2 4.03Å; I269-L287 HydrophobicContact CD1-CD2 4.39Å; I269-L287 HydrophobicContact CG2-CD2 3.56Å; M270-L287 HydrophobicContact CG-CD2 4.38Å; T284-L287 PolarHBondContact O-N 3.3Å; K285-L287 VanDerWaalsContact C-N 3.32Å; K285-L287 PolarHBondContact O-N 3.42Å; L287-V290 PolarHBondContact O-N 3.27Å; L287-S291 WeakPolarHBondContact O-CB 3.19Å; L287-S291 PolarHBondContact O-N 3.3Å |
| 288 | H | 83.9 | Confident | 79.4 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 26% | 0.259 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 172.5 | -174.2 | -58.3 | 0 | 0 | 0 | 111.6 | M270 T284 K285 G286 V290 S291 E292 | M270-H288 HydrophobicContact SD-CB 4.38Å; T284-H288 PolarHBondContact O-N 2.77Å; K285-H288 PolarHBondContact O-N 2.73Å; G286-H288 PolarHBondContact O-N 2.55Å; H288-V290 VanDerWaalsContact C-N 3.29Å; H288-V290 PolarHBondContact O-N 2.95Å; H288-S291 WeakPolarHBondContact O-CB 3.42Å; H288-S291 PolarHBondContact O-N 2.85Å; H288-E292 WeakPolarHBondContact ND1-CG 3.2Å; H288-E292 WeakPolarHBondContact O-CB 3.47Å; H288-E292 VanDerWaalsContact O-CG 3.24Å; H288-E292 WeakPolarHBondContact O-CG 3.48Å; H288-E292 PolarHBondContact O-N 3.25Å |
| 289 | E | 87.3 | Confident | 79.8 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -30.8 | -178.6 | -58 | -89.1 | -152.8 | 0 | 0 | 111.3 | L144 K285 G286 F293 | L144-E289 HydrophobicContact CD1-CB 4.06Å; L144-E289 HydrophobicContact CD1-CG 3.91Å; L144-E289 HydrophobicContact CD2-CG 4.28Å; K285-E289 WeakPolarHBondContact CE-OE1 3.48Å; K285-E289 HydrophobicContact CG-CG 4.02Å; K285-E289 IonicContact NZ-OE1 2.86Å; K285-E289 PolarHBondContact NZ-OE1 3.47Å; K285-E289 VanDerWaalsContact NZ-OE1 3.16Å; K285-E289 WeakPolarHBondContact O-CG 3.49Å; K285-E289 PolarHBondContact O-N 3.11Å; G286-E289 PolarHBondContact O-N 3.16Å; E289-F293 WeakPolarHBondContact O-CB 3.46Å; E289-F293 PolarHBondContact O-N 3.48Å |
| 290 | V | 92.8 | Very high | 79.9 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -46.6 | 169 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | L140 L145 A148 L221 I266 G286 L287 H288 E292 F293 L294 | L140-V290 HydrophobicContact CD1-CG2 3.87Å; L140-V290 HydrophobicContact CD2-CG2 4.42Å; L145-V290 HydrophobicContact CD1-CG2 4.05Å; A148-V290 HydrophobicContact CB-CG2 3.85Å; L221-V290 HydrophobicContact CD2-CG1 3.75Å; I266-V290 HydrophobicContact CD1-CG1 4.36Å; G286-V290 WeakPolarHBondContact O-CG2 3.3Å; G286-V290 PolarHBondContact O-N 3.17Å; L287-V290 PolarHBondContact O-N 3.27Å; H288-V290 VanDerWaalsContact C-N 3.29Å; H288-V290 PolarHBondContact O-N 2.95Å; V290-E292 VanDerWaalsContact C-N 3.29Å; V290-E292 PolarHBondContact O-N 2.92Å; V290-F293 PolarHBondContact O-N 2.92Å; V290-L294 HydrophobicContact CG1-CD1 4Å; V290-L294 HydrophobicContact CG1-CG 4.46Å; V290-L294 WeakPolarHBondContact O-CG 2.75Å; V290-L294 PolarHBondContact O-N 2.68Å |
| 291 | S | 89.9 | Confident | 79.4 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.5 | -47.6 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | Q263 L287 H288 L294 K295 | Q263-S291 PolarHBondContact NE2-O 3.22Å; Q263-S291 PolarHBondContact OE1-OG 2.69Å; L287-S291 WeakPolarHBondContact O-CB 3.19Å; L287-S291 PolarHBondContact O-N 3.3Å; H288-S291 WeakPolarHBondContact O-CB 3.42Å; H288-S291 PolarHBondContact O-N 2.85Å; S291-L294 PolarHBondContact O-N 3.24Å; S291-K295 VanDerWaalsContact O-CB 3.31Å; S291-K295 WeakPolarHBondContact O-CB 3.27Å; S291-K295 VanDerWaalsContact O-CG 3.32Å; S291-K295 WeakPolarHBondContact O-CG 3.28Å; S291-K295 PolarHBondContact O-N 2.98Å; S291-K295 WeakPolarHBondContact OG-CE 3.5Å; S291-K295 PolarHBondContact OG-NZ 3.35Å |
| 292 | E | 86.3 | Confident | 77.9 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.5 | -73 | -65.1 | 130.5 | 0 | 0 | 112.7 | R106 H288 V290 L294 K295 T296 | R106-E292 WeakPolarHBondContact CD-OE2 3.43Å; R106-E292 IonicContact CZ-OE2 3.91Å; R106-E292 IonicContact NE-OE2 3.77Å; R106-E292 PolarHBondContact NE-OE2 3.15Å; R106-E292 IonicContact NH1-OE2 4Å; R106-E292 PolarHBondContact NH1-OE2 2.95Å; H288-E292 WeakPolarHBondContact ND1-CG 3.2Å; H288-E292 WeakPolarHBondContact O-CB 3.47Å; H288-E292 VanDerWaalsContact O-CG 3.24Å; H288-E292 WeakPolarHBondContact O-CG 3.48Å; H288-E292 PolarHBondContact O-N 3.25Å; V290-E292 VanDerWaalsContact C-N 3.29Å; V290-E292 PolarHBondContact O-N 2.92Å; E292-L294 PolarHBondContact O-N 3.03Å; E292-K295 PolarHBondContact O-N 3.44Å; E292-T296 PolarHBondContact O-N 3.07Å; E292-T296 PolarHBondContact O-OG1 3.37Å |
| 293 | F | 92.7 | Very high | 76.7 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 175.5 | -173 | -92.7 | 0 | 0 | 0 | 111.7 | V138 L140 I245 E289 V290 T296 V297 I363 | V138-F293 HydrophobicContact CB-CD2 4.41Å; V138-F293 HydrophobicContact CG1-CD2 3.57Å; V138-F293 HydrophobicContact CG1-CE2 3.99Å; V138-F293 HydrophobicContact CG1-CG 4.24Å; V138-F293 HydrophobicContact CG2-CB 4.22Å; V138-F293 HydrophobicContact CG2-CD2 4.12Å; L140-F293 HydrophobicContact CB-CB 4.37Å; L140-F293 HydrophobicContact CB-CD2 3.53Å; L140-F293 HydrophobicContact CB-CE2 3.89Å; L140-F293 HydrophobicContact CB-CG 3.92Å; L140-F293 HydrophobicContact CD2-CD1 4.36Å; L140-F293 HydrophobicContact CD2-CG 4.35Å; I245-F293 HydrophobicContact CD1-CE1 4.01Å; I245-F293 HydrophobicContact CD1-CZ 3.86Å; I245-F293 HydrophobicContact CG1-CE1 4.26Å; I245-F293 HydrophobicContact CG1-CZ 4.21Å; E289-F293 WeakPolarHBondContact O-CB 3.46Å; E289-F293 PolarHBondContact O-N 3.48Å; V290-F293 PolarHBondContact O-N 2.92Å; F293-T296 PolarHBondContact O-N 3.47Å; F293-V297 HydrophobicContact CD1-CG2 4.2Å; F293-V297 HydrophobicContact CE1-CG2 3.91Å; F293-V297 HydrophobicContact CZ-CG2 4.19Å; F293-V297 VanDerWaalsContact O-CG2 3.31Å; F293-V297 WeakPolarHBondContact O-CG2 3.47Å; F293-V297 PolarHBondContact O-N 3.49Å; F293-I363 HydrophobicContact CE2-CG2 4.31Å; F293-I363 HydrophobicContact CZ-CG2 4.08Å |
| 294 | L | 92.7 | Very high | 75.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.1 | -37 | -179.6 | -61.9 | 177.2 | 0 | 0 | 0 | 112.3 | L249 I254 I262 V290 S291 E292 V297 F298 | L249-L294 HydrophobicContact CD1-CD2 4.05Å; L249-L294 HydrophobicContact CD2-CD2 3.86Å; I254-L294 HydrophobicContact CG2-CD1 4.4Å; I254-L294 HydrophobicContact CG2-CD2 3.87Å; I262-L294 HydrophobicContact CG2-CD1 3.8Å; V290-L294 HydrophobicContact CG1-CD1 4Å; V290-L294 HydrophobicContact CG1-CG 4.46Å; V290-L294 WeakPolarHBondContact O-CG 2.75Å; V290-L294 PolarHBondContact O-N 2.68Å; S291-L294 PolarHBondContact O-N 3.24Å; E292-L294 PolarHBondContact O-N 3.03Å; L294-V297 PolarHBondContact O-N 3.43Å; L294-F298 HydrophobicContact CB-CD2 4.42Å; L294-F298 HydrophobicContact CD2-CE2 4.07Å; L294-F298 WeakPolarHBondContact O-CD2 3.24Å; L294-F298 PolarHBondContact O-N 2.98Å |
| 295 | K | 87.1 | Confident | 73.1 | Confident | 70 Ų | 70 | 40.5 Ų | 40.5 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.2 | -81.9 | 164.4 | 174.9 | 153.2 | 0 | 111.6 | Q263 D267 S291 E292 G299 | Q263-K295 HydrophobicContact CG-CG 4.41Å; D267-K295 IonicContact OD2-NZ 2.87Å; S291-K295 VanDerWaalsContact O-CB 3.31Å; S291-K295 WeakPolarHBondContact O-CB 3.27Å; S291-K295 VanDerWaalsContact O-CG 3.32Å; S291-K295 WeakPolarHBondContact O-CG 3.28Å; S291-K295 PolarHBondContact O-N 2.98Å; S291-K295 WeakPolarHBondContact OG-CE 3.5Å; S291-K295 PolarHBondContact OG-NZ 3.35Å; E292-K295 PolarHBondContact O-N 3.44Å; K295-G299 VanDerWaalsContact O-CA 3.3Å; K295-G299 WeakPolarHBondContact O-CA 3.39Å; K295-G299 PolarHBondContact O-N 3.03Å |
| 296 | T | 86.8 | Confident | 70.7 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.2 | -32.1 | 176.6 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | V138 E292 F293 Y300 | V138-T296 HydrophobicContact CB-CG2 3.92Å; V138-T296 HydrophobicContact CG1-CG2 3.74Å; E292-T296 PolarHBondContact O-N 3.07Å; E292-T296 PolarHBondContact O-OG1 3.37Å; F293-T296 PolarHBondContact O-N 3.47Å; T296-Y300 WeakPolarHBondContact O-CD2 3.4Å |
| 297 | V | 90.2 | Very high | 68.1 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.7 | -45.9 | 176.9 | 169.6 | 0 | 0 | 0 | 0 | 112.4 | I245 F246 L249 F293 L294 Y365 | I245-V297 HydrophobicContact CG1-CG1 4.25Å; I245-V297 HydrophobicContact CG1-CG2 4.11Å; I245-V297 HydrophobicContact CG2-CG1 3.81Å; F246-V297 HydrophobicContact CD1-CG1 4.14Å; F246-V297 HydrophobicContact CE1-CG1 3.56Å; F246-V297 HydrophobicContact CZ-CG1 4.2Å; L249-V297 HydrophobicContact CD1-CG1 3.78Å; F293-V297 HydrophobicContact CD1-CG2 4.2Å; F293-V297 HydrophobicContact CE1-CG2 3.91Å; F293-V297 HydrophobicContact CZ-CG2 4.19Å; F293-V297 VanDerWaalsContact O-CG2 3.31Å; F293-V297 WeakPolarHBondContact O-CG2 3.47Å; F293-V297 PolarHBondContact O-N 3.49Å; L294-V297 PolarHBondContact O-N 3.43Å; V297-Y365 HydrophobicContact CB-CE1 4.46Å; V297-Y365 HydrophobicContact CG2-CD1 3.69Å; V297-Y365 HydrophobicContact CG2-CE1 3.95Å; V297-Y365 HydrophobicContact CG2-CG 4.24Å |
| 298 | F | 87.4 | Confident | 65.1 | Low | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -95.4 | -29.4 | -174 | -68.2 | -67.1 | 0 | 0 | 0 | 114.9 | F246 L249 I254 H256 N259 L294 Y300 L301 | F246-F298 HydrophobicContact CD1-CD1 4.38Å; F246-F298 AromaticContact CD1-CE1 3.84Å; F246-F298 HydrophobicContact CD1-CE1 3.84Å; F246-F298 HydrophobicContact CE1-CD1 4.12Å; F246-F298 HydrophobicContact CE1-CE1 4.04Å; L249-F298 HydrophobicContact CB-CZ 4.35Å; L249-F298 HydrophobicContact CD1-CE2 3.83Å; L249-F298 HydrophobicContact CD1-CZ 3.83Å; I254-F298 HydrophobicContact CG2-CE2 3.87Å; I254-F298 HydrophobicContact CG2-CZ 4.26Å; H256-F298 HydrophobicContact CB-CD1 4.05Å; H256-F298 HydrophobicContact CB-CE1 4.39Å; N259-F298 HydrophobicContact CB-CB 4.45Å; N259-F298 HydrophobicContact CB-CD2 3.75Å; N259-F298 HydrophobicContact CB-CE2 4.22Å; N259-F298 HydrophobicContact CB-CG 4.14Å; L294-F298 HydrophobicContact CB-CD2 4.42Å; L294-F298 HydrophobicContact CD2-CE2 4.07Å; L294-F298 WeakPolarHBondContact O-CD2 3.24Å; L294-F298 PolarHBondContact O-N 2.98Å; F298-Y300 PolarHBondContact O-N 3.15Å; F298-L301 HydrophobicContact CD1-CD1 3.91Å; F298-L301 PolarHBondContact O-N 3.22Å; F298-L301 VanDerWaalsContact O-N 3.16Å |
| 299 | G | 72.5 | Confident | 62.5 | Low | 56 Ų | 56 | 56.8 Ų | 56.8 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 20 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | K295 | K295-G299 VanDerWaalsContact O-CA 3.3Å; K295-G299 WeakPolarHBondContact O-CA 3.39Å; K295-G299 PolarHBondContact O-N 3.03Å |
| 300 | Y | 60.6 | Low | 59.6 | Low | 52 Ų | 52 | 62.2 Ų | 62.2 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | 0.6 | -179.6 | -66.6 | -90.7 | 0 | 0 | 0 | 113.6 | T296 F298 Q376 | T296-Y300 WeakPolarHBondContact O-CD2 3.4Å; F298-Y300 PolarHBondContact O-N 3.15Å; Y300-Q376 HydrophobicContact CE1-CG 4.28Å; Y300-Q376 PolarHBondContact OH-NE2 3.26Å; Y300-Q376 PolarHBondContact OH-OE1 3.34Å |
| 301 | L | 48.5 | Very low | 56.7 | Low | 52 Ų | 52 | 68.9 Ų | 68.9 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -70.6 | 145.5 | 174.3 | -73.3 | 167.6 | 0 | 0 | 0 | 110.2 | F246 H256 F298 G303 I323 | F246-L301 HydrophobicContact CE1-CD1 4.04Å; F246-L301 HydrophobicContact CZ-CD1 4.47Å; F246-L301 HydrophobicContact CZ-CD2 4.36Å; H256-L301 HydrophobicContact CB-CD1 4.3Å; F298-L301 HydrophobicContact CD1-CD1 3.91Å; F298-L301 PolarHBondContact O-N 3.22Å; F298-L301 VanDerWaalsContact O-N 3.16Å; L301-G303 PolarHBondContact O-N 3.21Å; L301-I323 HydrophobicContact CD2-CD1 4.35Å |
| 302 | P | 34.4 | Very low | 54.1 | Low | 78 Ų | 78 | 79 Ų | 79 | 51% | 0.506 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -73.4 | 113.1 | -174.1 | 28.1 | -33.2 | 0 | 0 | 0 | 111.5 | H319 | P302-H319 HydrophobicContact CB-CB 4.12Å; P302-H319 HydrophobicContact CG-CB 4.5Å |
| 303 | G | 34.4 | Very low | 51.7 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -154.1 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | L301 | L301-G303 PolarHBondContact O-N 3.21Š|
| 304 | E | 30.4 | Very low | 48.8 | Very low | 190 Ų | 190 | 89.5 Ų | 89.5 | 89% | 0.888 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -104.1 | -1.3 | -167.2 | -59.5 | -174 | 159 | 0 | 0 | 114.9 | N306 | E304-N306 PolarHBondContact O-N 3.24Š|
| 305 | A | 30 | Very low | 46.1 | Very low | 57 Ų | 57 | 94 Ų | 94 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | trans | -100.5 | 45.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V307 | A305-V307 PolarHBondContact O-N 3.07Š| ||
| 306 | N | 25.5 | Very low | 43.5 | Very low | 161 Ų | 161 | 99.5 Ų | 99.5 | 86% | 0.861 | 54% | 0.536 | S | S | * | . | trans | -74.3 | 52.3 | 174.8 | -94.1 | -22.5 | 0 | 0 | 0 | 112.9 | E304 | E304-N306 PolarHBondContact O-N 3.24Š| ||
| 307 | V | 30.1 | Very low | 41.3 | Very low | 91 Ų | 91 | 102.5 Ų | 102.5 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | trans | -121.9 | 87 | 177.7 | -162.6 | 0 | 0 | 0 | 0 | 110.7 | A305 F309 | A305-V307 PolarHBondContact O-N 3.07Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 HydrophobicContact CB-CD2 4.11Å; V307-F309 HydrophobicContact CB-CE2 3.87Å; V307-F309 HydrophobicContact CG1-CD1 4.41Å; V307-F309 HydrophobicContact CG1-CD2 3.61Å; V307-F309 HydrophobicContact CG1-CE1 4.15Å; V307-F309 HydrophobicContact CG1-CE2 3.29Å; V307-F309 HydrophobicContact CG1-CG 4.18Å; V307-F309 HydrophobicContact CG1-CZ 3.6Å; V307-F309 PolarHBondContact O-N 2.9Å | ||
| 308 | T | 24.2 | Very low | 38.7 | Very low | 117 Ų | 117 | 108.9 Ų | 108.9 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | trans | -71.5 | 77.7 | 175 | -49.3 | 0 | 0 | 0 | 0 | 110.6 | N310 | T308-N310 PolarHBondContact O-N 3.23Š| ||
| 309 | F | 29.4 | Very low | 36.4 | Very low | 107 Ų | 107 | 113 Ų | 113 | 47% | 0.469 | 60% | 0.601 | S | S | . | * | trans | -64.9 | 117.1 | 178.4 | -81 | -75.6 | 0 | 0 | 0 | 111.8 | V307 F311 | V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 HydrophobicContact CB-CD2 4.11Å; V307-F309 HydrophobicContact CB-CE2 3.87Å; V307-F309 HydrophobicContact CG1-CD1 4.41Å; V307-F309 HydrophobicContact CG1-CD2 3.61Å; V307-F309 HydrophobicContact CG1-CE1 4.15Å; V307-F309 HydrophobicContact CG1-CE2 3.29Å; V307-F309 HydrophobicContact CG1-CG 4.18Å; V307-F309 HydrophobicContact CG1-CZ 3.6Å; V307-F309 PolarHBondContact O-N 2.9Å; F309-F311 PolarHBondContact O-N 2.97Å | ||
| 310 | N | 26.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 116.8 Ų | 116.8 | 88% | 0.877 | 61% | 0.608 | S | S | * | * | trans | -75.6 | 61.3 | 176.3 | -83.8 | -33.4 | 0 | 0 | 0 | 112.8 | T308 | T308-N310 PolarHBondContact O-N 3.23Š| ||
| 311 | F | 32.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 118 Ų | 118 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | trans | -77.8 | 139.4 | 160.3 | -95.5 | -92.3 | 0 | 0 | 0 | 110.3 | F309 T313 | F309-F311 PolarHBondContact O-N 2.97Å; F311-T313 PolarHBondContact O-N 3.2Å | ||
| 312 | K | 34.2 | Very low | 35.4 | Very low | 217 Ų | 217 | 116.7 Ų | 116.7 | 94% | 0.943 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -75.4 | 39 | 173.9 | -74 | -172.4 | 173.3 | -178.1 | 0 | 113.1 | ||
| 313 | T | 35.7 | Very low | 37.6 | Very low | 79 Ų | 79 | 115.4 Ų | 115.4 | 49% | 0.485 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -123.3 | 131.3 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 108 | F311 F315 | F311-T313 PolarHBondContact O-N 3.2Å; T313-F315 PolarHBondContact O-N 2.85Å |
| 314 | N | 31.2 | Very low | 40 | Very low | 175 Ų | 175 | 114.3 Ų | 114.3 | 94% | 0.936 | 58% | 0.584 | S | S | * | * | trans | -74.9 | 55.3 | -174.6 | -69.6 | -9.4 | 0 | 0 | 0 | 112.8 | K316 | N314-K316 PolarHBondContact O-N 3.17Š| ||
| 315 | F | 37.7 | Very low | 42.9 | Very low | 94 Ų | 94 | 105.8 Ų | 105.8 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | trans | -100.9 | 74 | -171.1 | -101.1 | -89.8 | 0 | 0 | 0 | 111.8 | T313 N403 | T313-F315 PolarHBondContact O-N 2.85Å; F315-N403 HydrophobicContact CE1-CB 4.26Å; F315-N403 VanDerWaalsContact CE1-CG 3.48Å; F315-N403 WeakPolarHBondContact CE1-O 3.41Å; F315-N403 WeakPolarHBondContact CE1-OD1 3.28Å; F315-N403 WeakPolarHBondContact CZ-O 3.42Å; F315-N403 WeakPolarHBondContact CZ-OD1 3.17Å | ||
| 316 | K | 32.2 | Very low | 46 | Very low | 187 Ų | 187 | 103.1 Ų | 103.1 | 81% | 0.813 | 52% | 0.523 | S | S | * | . | trans | -113.8 | 86.7 | 164.9 | -74.5 | -171.2 | 174.7 | -175.2 | 0 | 109.9 | N314 Q318 | N314-K316 PolarHBondContact O-N 3.17Å; K316-Q318 PolarHBondContact O-N 3.41Å | ||
| 317 | L | 39.4 | Very low | 49.3 | Very low | 68 Ų | 68 | 96.2 Ų | 96.2 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | trans | -63 | 124.2 | 148 | -85.6 | 166.1 | 0 | 0 | 0 | 106.7 | ||||
| 318 | Q | 37.1 | Very low | 52.4 | Low | 137 Ų | 137 | 91.9 Ų | 91.9 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | trans | -70.5 | 132.9 | 173.7 | -62.9 | -170.6 | 6.5 | 0 | 0 | 107.9 | K316 N320 D321 | K316-Q318 PolarHBondContact O-N 3.41Å; Q318-N320 PolarHBondContact O-N 2.85Å; Q318-D321 PolarHBondContact O-N 3.17Å | ||
| 319 | H | 38.4 | Very low | 55.9 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -57.6 | -22.4 | -173.1 | -90.7 | -97.6 | 0 | 0 | 0 | 113.7 | P302 S322 | P302-H319 HydrophobicContact CB-CB 4.12Å; P302-H319 HydrophobicContact CG-CB 4.5Å; H319-S322 VanDerWaalsContact O-CB 3.22Å; H319-S322 WeakPolarHBondContact O-CB 3.06Å; H319-S322 PolarHBondContact O-N 3.26Å; H319-S322 PolarHBondContact O-OG 2.99Å |
| 320 | N | 37.3 | Very low | 59.1 | Low | 136 Ų | 136 | 81.5 Ų | 81.5 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -72 | -28.1 | 177.9 | -63.9 | -1.5 | 0 | 0 | 0 | 113.6 | Q318 S322 | Q318-N320 PolarHBondContact O-N 2.85Å; N320-S322 PolarHBondContact O-N 3.47Å |
| 321 | D | 54.7 | Low | 62.3 | Low | 78 Ų | 78 | 76.9 Ų | 76.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -67.9 | -16.8 | 178.3 | -74.9 | -48.4 | 0 | 0 | 0 | 112.8 | Q318 I323 S324 | Q318-D321 PolarHBondContact O-N 3.17Å; D321-I323 VanDerWaalsContact C-N 3.31Å; D321-I323 PolarHBondContact O-N 3.34Å; D321-S324 WeakPolarHBondContact O-CB 3.31Å; D321-S324 PolarHBondContact O-N 3.38Å; D321-S324 PolarHBondContact O-OG 3.06Å |
| 322 | S | 67.8 | Low | 65.2 | Low | 23 Ų | 23 | 72.5 Ų | 72.5 | 16% | 0.161 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -54.1 | -40.3 | -172.1 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | H319 N320 S324 C325 R372 | H319-S322 VanDerWaalsContact O-CB 3.22Å; H319-S322 WeakPolarHBondContact O-CB 3.06Å; H319-S322 PolarHBondContact O-N 3.26Å; H319-S322 PolarHBondContact O-OG 2.99Å; N320-S322 PolarHBondContact O-N 3.47Å; S322-S324 VanDerWaalsContact C-N 3.35Å; S322-C325 WeakPolarHBondContact O-CB 3.44Å; S322-R372 VanDerWaalsContact C-NH1 3.33Å; S322-R372 PolarHBondContact O-NH1 3.31Å |
| 323 | I | 81.5 | Confident | 67.4 | Low | 51 Ų | 51 | 65.4 Ų | 65.4 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -71.5 | -29.3 | 178.8 | -65.4 | 171 | 0 | 0 | 0 | 111.4 | F246 L301 D321 C325 Y326 | F246-I323 HydrophobicContact CE2-CD1 3.83Å; F246-I323 HydrophobicContact CE2-CG1 4.22Å; L301-I323 HydrophobicContact CD2-CD1 4.35Å; D321-I323 VanDerWaalsContact C-N 3.31Å; D321-I323 PolarHBondContact O-N 3.34Å; I323-C325 PolarHBondContact O-N 3.2Å; I323-C325 VanDerWaalsContact O-N 3.14Å; I323-Y326 PolarHBondContact O-N 3.2Å |
| 324 | S | 85.2 | Confident | 69 | Low | 33 Ų | 33 | 67.8 Ų | 67.8 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -65.3 | -19.1 | -180 | 83 | 0 | 0 | 0 | 0 | 113.3 | D321 S322 Y326 R327 | D321-S324 WeakPolarHBondContact O-CB 3.31Å; D321-S324 PolarHBondContact O-N 3.38Å; D321-S324 PolarHBondContact O-OG 3.06Å; S322-S324 VanDerWaalsContact C-N 3.35Å; S324-Y326 PolarHBondContact O-N 3.43Å; S324-R327 PolarHBondContact O-NH1 2.93Å |
| 325 | C | 91 | Very high | 70.2 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -69.4 | -11 | 172.1 | -57.8 | 0 | 0 | 0 | 0 | 114.4 | S322 I323 F368 S369 | S322-C325 WeakPolarHBondContact O-CB 3.44Å; I323-C325 PolarHBondContact O-N 3.2Å; I323-C325 VanDerWaalsContact O-N 3.14Å; C325-F368 PolarHBondContact O-N 3.3Å; C325-S369 WeakPolarHBondContact SG-CB 3.41Å |
| 326 | Y | 94 | Very high | 70.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.4 | -170.8 | -75.3 | -108.1 | 0 | 0 | 0 | 113.3 | S136 G242 I323 S324 Y365 W366 C367 R372 | S136-Y326 WeakPolarHBondContact O-CE1 3.42Å; S136-Y326 PolarHBondContact O-OH 3.3Å; G242-Y326 WeakPolarHBondContact CA-O 3.4Å; G242-Y326 PolarHBondContact N-O 3.48Å; G242-Y326 VanDerWaalsContact N-O 3.13Å; I323-Y326 PolarHBondContact O-N 3.2Å; S324-Y326 PolarHBondContact O-N 3.43Å; Y326-Y365 AromaticContact CD1-CD1 3.48Å; Y326-Y365 HydrophobicContact CD1-CD1 3.48Å; Y326-Y365 VanDerWaalsContact CD1-CD1 3.48Å; Y326-Y365 AromaticContact CD1-CD2 3.94Å; Y326-Y365 HydrophobicContact CD1-CD2 3.94Å; Y326-Y365 AromaticContact CD1-CE1 3.2Å; Y326-Y365 HydrophobicContact CD1-CE1 3.2Å; Y326-Y365 AromaticContact CD1-CE2 3.69Å; Y326-Y365 HydrophobicContact CD1-CE2 3.69Å; Y326-Y365 AromaticContact CD1-CG 3.84Å; Y326-Y365 HydrophobicContact CD1-CG 3.84Å; Y326-Y365 AromaticContact CD1-CZ 3.31Å; Y326-Y365 AromaticContact CE1-CD1 3.68Å; Y326-Y365 HydrophobicContact CE1-CD1 3.68Å; Y326-Y365 AromaticContact CE1-CE1 3.44Å; Y326-Y365 HydrophobicContact CE1-CE1 3.44Å; Y326-Y365 VanDerWaalsContact CE1-CE1 3.44Å; Y326-Y365 HydrophobicContact CE1-CG 4.42Å; Y326-Y365 AromaticContact CG-CE1 3.97Å; Y326-Y365 HydrophobicContact CG-CE1 3.97Å; Y326-Y365 AromaticContact CG-CE2 3.95Å; Y326-Y365 HydrophobicContact CG-CE2 3.95Å; Y326-Y365 AromaticContact CG-CZ 3.63Å; Y326-W366 VanDerWaalsContact CA-O 3.24Å; Y326-W366 WeakPolarHBondContact CA-O 3.44Å; Y326-C367 HydrophobicContact CD1-CB 4.24Å; Y326-C367 HydrophobicContact CD2-CB 4.45Å; Y326-C367 HydrophobicContact CE1-CB 3.69Å; Y326-C367 HydrophobicContact CE2-CB 3.83Å; Y326-C367 VanDerWaalsContact CZ-CB 3.46Å; Y326-R372 PolarHBondContact OH-NH2 2.68Å |
| 327 | R | 95.9 | Very high | 70.5 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 6% | 0.06 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.2 | 163.7 | -61.8 | -64.5 | 176.4 | -80.2 | -1.7 | 109.5 | T239 D241 S324 W366 F368 L568 E575 | T239-R327 HydrophobicContact CG2-CB 4.46Å; D241-R327 IonicContact OD1-NE 2.68Å; S324-R327 PolarHBondContact O-NH1 2.93Å; R327-W366 PolarHBondContact N-O 3.19Å; R327-W366 PolarHBondContact O-N 3.24Å; R327-F368 HydrophobicContact CB-CE2 4.06Å; R327-F368 HydrophobicContact CG-CD2 4.27Å; R327-F368 HydrophobicContact CG-CE2 3.95Å; R327-L568 HydrophobicContact CB-CD1 4.38Å; R327-E575 IonicContact CZ-OE1 3.42Å; R327-E575 IonicContact NH2-OE1 3.83Å; R327-E575 PolarHBondContact NH2-OE1 3.36Å; R327-E575 IonicContact NH2-OE2 3.18Å; R327-E575 PolarHBondContact NH2-OE2 3.41Å |
| 328 | L | 95.7 | Very high | 70.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.9 | 169.5 | -163.2 | 75.9 | 0 | 0 | 0 | 108.3 | T239 K240 F244 I245 I330 I363 S364 Y365 | T239-L328 CarbonylContact C-O 3.59Å; T239-L328 WeakPolarHBondContact CA-O 3.41Å; K240-L328 HydrophobicContact CB-CB 4.45Å; K240-L328 PolarHBondContact N-O 3.23Å; K240-L328 PolarHBondContact O-N 3.33Å; F244-L328 HydrophobicContact CD1-CD2 3.74Å; F244-L328 HydrophobicContact CE1-CD2 4.43Å; I245-L328 HydrophobicContact CB-CD1 4.22Å; I245-L328 HydrophobicContact CB-CD2 4.42Å; I245-L328 HydrophobicContact CD1-CD1 3.96Å; I245-L328 HydrophobicContact CD1-CD2 4.13Å; I245-L328 HydrophobicContact CG1-CD1 4.21Å; L328-I330 HydrophobicContact CD2-CD1 3.96Å; L328-I330 HydrophobicContact CD2-CG1 4.35Å; L328-I330 HydrophobicContact CG-CD1 4.47Å; L328-I330 HydrophobicContact CG-CG1 4.33Å; L328-I363 HydrophobicContact CD1-CG2 3.6Å; L328-I363 HydrophobicContact CD2-CG2 4.33Å; L328-I363 HydrophobicContact CG-CG2 4.09Å; L328-S364 CarbonylContact C-O 3.57Å; L328-S364 WeakPolarHBondContact CA-O 3.43Å; L328-Y365 HydrophobicContact CD1-CD2 3.9Å; L328-Y365 HydrophobicContact CD1-CG 4.41Å |
| 329 | H | 97.1 | Very high | 70 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.028 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.1 | 174.5 | -177.1 | 73.1 | 0 | 0 | 0 | 109.8 | T239 S364 W366 P564 L568 | T239-H329 PolarHBondContact OG1-ND1 3.23Å; H329-S364 PolarHBondContact N-O 2.67Å; H329-S364 PolarHBondContact O-N 3.04Å; H329-W366 HydrophobicContact CB-CE3 3.94Å; H329-W366 HydrophobicContact CB-CH2 4Å; H329-W366 HydrophobicContact CB-CZ3 3.53Å; H329-W366 AromaticContact CD2-CH2 3.61Å; H329-W366 AromaticContact CD2-CZ3 3.9Å; H329-W366 AromaticContact CG-CH2 3.96Å; H329-W366 AromaticContact CG-CZ3 3.75Å; H329-P564 VanDerWaalsContact CE1-CB 3.44Å; H329-P564 WeakPolarHBondContact CE1-CB 3.22Å; H329-L568 HydrophobicContact CB-CD1 4.46Å |
| 330 | I | 96.2 | Very high | 69.8 | Low | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.2 | -173 | -54.8 | -178 | 0 | 0 | 0 | 108.8 | L231 V233 G237 L238 L328 R361 T362 I363 | L231-I330 HydrophobicContact CD1-CD1 3.44Å; L231-I330 VanDerWaalsContact CD1-CD1 3.44Å; V233-I330 WeakPolarHBondContact CG1-O 3.41Å; V233-I330 HydrophobicContact CG2-CG2 3.75Å; G237-I330 CarbonylContact C-O 3.53Å; G237-I330 WeakPolarHBondContact CA-O 3.47Å; L238-I330 HydrophobicContact CB-CB 4.38Å; L238-I330 PolarHBondContact N-O 2.8Å; L238-I330 PolarHBondContact O-N 3.17Å; L328-I330 HydrophobicContact CD2-CD1 3.96Å; L328-I330 HydrophobicContact CD2-CG1 4.35Å; L328-I330 HydrophobicContact CG-CD1 4.47Å; L328-I330 HydrophobicContact CG-CG1 4.33Å; I330-R361 HydrophobicContact CG2-CG 3.98Å; I330-T362 VanDerWaalsContact CA-O 3.28Å; I330-T362 WeakPolarHBondContact CA-O 3.48Å; I330-I363 HydrophobicContact CD1-CD1 3.93Å; I330-I363 HydrophobicContact CD1-CG1 4.16Å; I330-I363 HydrophobicContact CG1-CB 4.46Å; I330-I363 HydrophobicContact CG1-CD1 4.31Å; I330-I363 HydrophobicContact CG1-CG1 3.98Å; I330-I363 HydrophobicContact CG1-CG2 4.28Å; I330-I363 HydrophobicContact CG2-CG1 4.07Å |
| 331 | K | 94.1 | Very high | 69.4 | Low | 66 Ų | 66 | 56.1 Ų | 56.1 | 29% | 0.287 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.7 | -172.8 | -176.9 | 163.9 | 175.3 | -88.2 | 0 | 111.9 | D333 R361 T362 | K331-D333 IonicContact NZ-OD1 3.62Å; K331-D333 PolarHBondContact NZ-OD1 2.78Å; K331-R361 WeakPolarHBondContact O-CA 3.46Å; K331-T362 PolarHBondContact N-O 2.92Å; K331-T362 PolarHBondContact O-N 2.91Å; K331-T362 PolarHBondContact O-OG1 3.38Å |
| 332 | D | 92 | Very high | 68.6 | Low | 50 Ų | 50 | 58.7 Ų | 58.7 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 101.3 | 173.5 | -75.7 | -23.9 | 0 | 0 | 0 | 110.1 | T359 R361 | D332-T359 HydrophobicContact CB-CG2 4.35Å; D332-R361 VanDerWaalsContact OD1-CA 3.3Å; D332-R361 WeakPolarHBondContact OD1-CA 3.49Å; D332-R361 WeakPolarHBondContact OD1-CB 3.43Å; D332-R361 VanDerWaalsContact OD1-CG 3.31Å; D332-R361 WeakPolarHBondContact OD1-CG 3.32Å; D332-R361 IonicContact OD1-CZ 2.73Å; D332-R361 IonicContact OD1-NE 3.45Å; D332-R361 PolarHBondContact OD1-NE 3.27Å; D332-R361 IonicContact OD1-NH2 3.96Å; D332-R361 IonicContact OD2-CZ 2.82Å; D332-R361 IonicContact OD2-NE 3.5Å; D332-R361 PolarHBondContact OD2-NE 3.41Å; D332-R361 IonicContact OD2-NH2 3.09Å; D332-R361 PolarHBondContact OD2-NH2 2.96Å |
| 333 | D | 81.9 | Confident | 66.8 | Low | 67 Ų | 67 | 66.4 Ų | 66.4 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.8 | 173.6 | -80.8 | -32.2 | 0 | 0 | 0 | 110.7 | K331 L335 T359 N360 | K331-D333 IonicContact NZ-OD1 3.62Å; K331-D333 PolarHBondContact NZ-OD1 2.78Å; D333-L335 PolarHBondContact O-N 3.14Å; D333-T359 CarbonylContact O-C 2.85Å; D333-T359 WeakPolarHBondContact O-CA 3.4Å; D333-N360 PolarHBondContact N-O 3.46Å; D333-N360 VanDerWaalsContact N-O 3.08Å; D333-N360 PolarHBondContact O-N 3.14Å |
| 334 | I | 68.3 | Low | 64.3 | Low | 129 Ų | 129 | 66.6 Ų | 66.6 | 66% | 0.662 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 118.3 | 174.5 | -57 | 174.5 | 0 | 0 | 0 | 108.8 | S336 T359 | I334-S336 VanDerWaalsContact C-N 3.28Å; I334-S336 PolarHBondContact O-N 3.01Å; I334-T359 HydrophobicContact CG1-CG2 4.41Å |
| 335 | L | 57.5 | Low | 61.4 | Low | 79 Ų | 79 | 73.3 Ų | 73.3 | 41% | 0.414 | 39% | 0.394 | S | S | . | . | trans | -71.2 | 84.8 | 172.3 | -63.6 | 174.9 | 0 | 0 | 0 | 110.1 | D333 A337 T358 N360 | D333-L335 PolarHBondContact O-N 3.14Å; L335-A337 PolarHBondContact O-N 3.33Å; L335-T358 VanDerWaalsContact CB-O 3.24Å; L335-T358 WeakPolarHBondContact CB-O 3.38Å; L335-T358 VanDerWaalsContact CG-O 3.29Å; L335-T358 WeakPolarHBondContact CG-O 3.46Å; L335-T358 PolarHBondContact N-O 2.77Å; L335-N360 HydrophobicContact CD1-CB 4.3Å; L335-N360 HydrophobicContact CD2-CB 4.25Å; L335-N360 HydrophobicContact CG-CB 4.18Å | ||
| 336 | S | 39.4 | Very low | 58.5 | Low | 76 Ų | 76 | 77.9 Ų | 77.9 | 53% | 0.531 | 42% | 0.417 | S | S | . | . | trans | -58.3 | 135.5 | 173.4 | -178 | 0 | 0 | 0 | 0 | 110.9 | I334 N338 N339 | I334-S336 VanDerWaalsContact C-N 3.28Å; I334-S336 PolarHBondContact O-N 3.01Å; S336-N338 PolarHBondContact O-N 2.99Å; S336-N339 PolarHBondContact O-N 3.41Å | ||
| 337 | A | 37 | Very low | 55.4 | Low | 70 Ų | 70 | 82.1 Ų | 82.1 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -54.4 | -27.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L335 N339 C340 | L335-A337 PolarHBondContact O-N 3.33Å; A337-N339 PolarHBondContact O-N 3.29Å; A337-N339 VanDerWaalsContact O-N 3.15Å; A337-C340 WeakPolarHBondContact O-CB 3.46Å; A337-C340 PolarHBondContact O-N 2.78Å; A337-C340 PolarHBondContact O-SG 2.8Å |
| 338 | N | 34.4 | Very low | 52.1 | Low | 147 Ų | 147 | 90.1 Ų | 90.1 | 79% | 0.786 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -65.6 | -15.2 | 180 | -64.1 | -9.4 | 0 | 0 | 0 | 114.1 | S336 | S336-N338 PolarHBondContact O-N 2.99Š|
| 339 | N | 31.6 | Very low | 49 | Very low | 81 Ų | 81 | 96.4 Ų | 96.4 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -91.3 | -6 | 172.6 | -89.4 | -40.7 | 0 | 0 | 0 | 114.4 | S336 A337 N341 K342 | S336-N339 PolarHBondContact O-N 3.41Å; A337-N339 PolarHBondContact O-N 3.29Å; A337-N339 VanDerWaalsContact O-N 3.15Å; N339-N341 PolarHBondContact O-N 3Å; N339-N341 VanDerWaalsContact O-N 3.12Å; N339-K342 WeakPolarHBondContact O-CB 3.4Å; N339-K342 PolarHBondContact O-N 3.17Å; N339-K342 PolarHBondContact OD1-NZ 2.8Å |
| 340 | C | 32.4 | Very low | 45.7 | Very low | 86 Ų | 86 | 102.3 Ų | 102.3 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -59.6 | -28.6 | -175.4 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | A337 K342 Y343 | A337-C340 WeakPolarHBondContact O-CB 3.46Å; A337-C340 PolarHBondContact O-N 2.78Å; A337-C340 PolarHBondContact O-SG 2.8Å; C340-K342 PolarHBondContact O-N 2.99Å; C340-K342 VanDerWaalsContact O-N 3.1Å; C340-Y343 PolarHBondContact O-N 2.98Å |
| 341 | N | 30.2 | Very low | 42.6 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 58% | 0.578 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -62.7 | -14.9 | 177.2 | -73.4 | -50.3 | 0 | 0 | 0 | 114.4 | N339 K345 | N339-N341 PolarHBondContact O-N 3Å; N339-N341 VanDerWaalsContact O-N 3.12Å; N341-K345 WeakPolarHBondContact OD1-CE 3.43Å |
| 342 | K | 36.4 | Very low | 39.7 | Very low | 131 Ų | 131 | 113.7 Ų | 113.7 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -81.9 | -9.1 | -177.6 | -71 | 174.8 | 179.8 | 160.3 | 0 | 114.8 | N339 C340 | N339-K342 WeakPolarHBondContact O-CB 3.4Å; N339-K342 PolarHBondContact O-N 3.17Å; N339-K342 PolarHBondContact OD1-NZ 2.8Å; C340-K342 PolarHBondContact O-N 2.99Å; C340-K342 VanDerWaalsContact O-N 3.1Å |
| 343 | Y | 30.1 | Very low | 36.7 | Very low | 186 Ų | 186 | 118.5 Ų | 118.5 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -124.4 | 66.3 | 175.4 | -76.2 | -83.9 | 0 | 0 | 0 | 111.4 | C340 | C340-Y343 PolarHBondContact O-N 2.98Š|
| 344 | G | 29.4 | Very low | 34.2 | Very low | 55 Ų | 55 | 121.6 Ų | 121.6 | 57% | 0.567 | 67% | 0.666 | S | S | * | * | trans | 58.5 | 100.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116 | N346 | G344-N346 PolarHBondContact O-N 3.39Š| ||
| 345 | K | 24.8 | Very low | 32.6 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | trans | -57.7 | 94.5 | 171.6 | -74.7 | -173.4 | 175.7 | -177.3 | 0 | 112.1 | N341 A347 | N341-K345 WeakPolarHBondContact OD1-CE 3.43Å; K345-A347 PolarHBondContact O-N 2.81Å | ||
| 346 | N | 30.2 | Very low | 32 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | trans | -75.9 | 110.9 | 160.8 | -73.8 | -17.7 | 0 | 0 | 0 | 107.9 | G344 W348 | G344-N346 PolarHBondContact O-N 3.39Å; N346-W348 PolarHBondContact O-N 3.01Å | ||
| 347 | A | 28.6 | Very low | 32.7 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 42.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K345 | K345-A347 PolarHBondContact O-N 2.81Š|
| 348 | W | 27.4 | Very low | 33.9 | Very low | 183 Ų | 183 | 123.3 Ų | 123.3 | 69% | 0.693 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | -9.5 | -168 | -74 | 70.8 | 0 | 0 | 0 | 115.7 | N346 T350 | N346-W348 PolarHBondContact O-N 3.01Å; W348-T350 PolarHBondContact O-N 2.83Å |
| 349 | D | 30 | Very low | 36 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | trans | -76.1 | 94.6 | 177.5 | -83.4 | -37.1 | 0 | 0 | 0 | 112.5 | ||||
| 350 | T | 28.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 115.6 Ų | 115.6 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | trans | -121.6 | 55.4 | 175.8 | -44.3 | 0 | 0 | 0 | 0 | 111.9 | W348 | W348-T350 PolarHBondContact O-N 2.83Š| ||
| 351 | Q | 30.8 | Very low | 41.6 | Very low | 178 Ų | 178 | 112.7 Ų | 112.7 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | trans | -143.3 | 110.6 | 163.2 | -76.4 | -157.4 | -5.6 | 0 | 0 | 112.5 | N353 | Q351-N353 PolarHBondContact O-N 3.01Š| ||
| 352 | P | 32.2 | Very low | 44.6 | Very low | 127 Ų | 127 | 108.6 Ų | 108.6 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | trans | -90.3 | 83.2 | 174.3 | 34.4 | -31.3 | 0 | 0 | 0 | 110.8 | ||||
| 353 | N | 28.7 | Very low | 47.5 | Very low | 152 Ų | 152 | 102.5 Ų | 102.5 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | trans | -157.4 | 42.2 | 177.1 | -114.1 | -19.9 | 0 | 0 | 0 | 118.1 | Q351 | Q351-N353 PolarHBondContact O-N 3.01Š| ||
| 354 | T | 30.3 | Very low | 50.6 | Low | 131 Ų | 131 | 94 Ų | 94 | 80% | 0.804 | 54% | 0.542 | S | S | * | . | trans | -160.6 | 108.8 | 148.8 | 17.8 | 0 | 0 | 0 | 0 | 111 | V356 | T354-V356 VanDerWaalsContact C-N 3.27Å; T354-V356 PolarHBondContact O-N 3.5Å; T354-V356 VanDerWaalsContact O-N 3.08Å | ||
| 355 | T | 34.6 | Very low | 53.8 | Low | 153 Ų | 153 | 91.8 Ų | 91.8 | 94% | 0.939 | 52% | 0.517 | S | S | * | . | trans | -85.6 | 61.4 | 175.8 | 50.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 356 | V | 43.7 | Very low | 57.2 | Low | 122 Ų | 122 | 85 Ų | 85 | 74% | 0.739 | 49% | 0.486 | S | S | * | . | trans | -101.4 | 99.3 | 164.7 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | T354 T358 | T354-V356 VanDerWaalsContact C-N 3.27Å; T354-V356 PolarHBondContact O-N 3.5Å; T354-V356 VanDerWaalsContact O-N 3.08Å; V356-T358 PolarHBondContact O-N 2.94Å | ||
| 357 | G | 54.3 | Low | 60.3 | Low | 46 Ų | 46 | 79.9 Ų | 79.9 | 47% | 0.474 | 46% | 0.459 | S | S | . | . | trans | -59.7 | 121.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T359 | G357-T359 PolarHBondContact O-N 3.41Š| ||
| 358 | T | 63.5 | Low | 63.4 | Low | 69 Ų | 69 | 75.6 Ų | 75.6 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | trans | -64.8 | 107.3 | 178.3 | 42.2 | 0 | 0 | 0 | 0 | 109.7 | L335 V356 | L335-T358 VanDerWaalsContact CB-O 3.24Å; L335-T358 WeakPolarHBondContact CB-O 3.38Å; L335-T358 VanDerWaalsContact CG-O 3.29Å; L335-T358 WeakPolarHBondContact CG-O 3.46Å; L335-T358 PolarHBondContact N-O 2.77Å; V356-T358 PolarHBondContact O-N 2.94Å | ||
| 359 | T | 77.8 | Confident | 66.5 | Low | 43 Ų | 43 | 67.6 Ų | 67.6 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 151.5 | 168.9 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | D332 D333 I334 G357 R811 | D332-T359 HydrophobicContact CB-CG2 4.35Å; D333-T359 CarbonylContact O-C 2.85Å; D333-T359 WeakPolarHBondContact O-CA 3.4Å; I334-T359 HydrophobicContact CG1-CG2 4.41Å; G357-T359 PolarHBondContact O-N 3.41Å; T359-R811 PolarHBondContact O-NE 3Å; T359-R811 PolarHBondContact O-NH2 3.39Å; T359-R811 PolarHBondContact OG1-NH2 2.97Å |
| 360 | N | 87.8 | Confident | 69.4 | Low | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 108.2 | 166.8 | -178.6 | 29.1 | 0 | 0 | 0 | 107.6 | S142 A143 D333 L335 T362 | S142-N360 PolarHBondContact N-OD1 2.91Å; S142-N360 PolarHBondContact OG-OD1 3.38Å; A143-N360 PolarHBondContact N-OD1 3.3Å; A143-N360 VanDerWaalsContact N-OD1 3.16Å; D333-N360 PolarHBondContact N-O 3.46Å; D333-N360 VanDerWaalsContact N-O 3.08Å; D333-N360 PolarHBondContact O-N 3.14Å; L335-N360 HydrophobicContact CD1-CB 4.3Å; L335-N360 HydrophobicContact CD2-CB 4.25Å; L335-N360 HydrophobicContact CG-CB 4.18Å; N360-T362 PolarHBondContact O-N 3.34Å |
| 361 | R | 93.5 | Very high | 72.3 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 126.7 | 175 | -171.2 | 158.2 | -74.3 | -170.8 | -4.3 | 109 | S141 S142 I228 D229 L231 I330 K331 D332 | S141-R361 CarbonylContact C-O 3.56Å; S141-R361 WeakPolarHBondContact CA-O 3.48Å; S142-R361 PolarHBondContact N-O 2.94Å; S142-R361 PolarHBondContact OG-N 2.94Å; S142-R361 VanDerWaalsContact OG-N 3.09Å; S142-R361 PolarHBondContact OG-O 3.15Å; I228-R361 HydrophobicContact CG2-CG 4.07Å; I228-R361 WeakPolarHBondContact O-CD 3.35Å; I228-R361 PolarHBondContact O-NH1 3.3Å; D229-R361 PolarHBondContact O-NH1 2.78Å; D229-R361 VanDerWaalsContact O-NH1 3.14Å; L231-R361 PolarHBondContact O-NH1 2.78Å; L231-R361 PolarHBondContact O-NH2 2.84Å; I330-R361 HydrophobicContact CG2-CG 3.98Å; K331-R361 WeakPolarHBondContact O-CA 3.46Å; D332-R361 VanDerWaalsContact OD1-CA 3.3Å; D332-R361 WeakPolarHBondContact OD1-CA 3.49Å; D332-R361 WeakPolarHBondContact OD1-CB 3.43Å; D332-R361 VanDerWaalsContact OD1-CG 3.31Å; D332-R361 WeakPolarHBondContact OD1-CG 3.32Å; D332-R361 IonicContact OD1-CZ 2.73Å; D332-R361 IonicContact OD1-NE 3.45Å; D332-R361 PolarHBondContact OD1-NE 3.27Å; D332-R361 IonicContact OD1-NH2 3.96Å; D332-R361 IonicContact OD2-CZ 2.82Å; D332-R361 IonicContact OD2-NE 3.5Å; D332-R361 PolarHBondContact OD2-NE 3.41Å; D332-R361 IonicContact OD2-NH2 3.09Å; D332-R361 PolarHBondContact OD2-NH2 2.96Å |
| 362 | T | 94.2 | Very high | 74.9 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.7 | 174.1 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | L140 I330 K331 N360 | L140-T362 WeakPolarHBondContact O-CA 3.32Å; I330-T362 VanDerWaalsContact CA-O 3.28Å; I330-T362 WeakPolarHBondContact CA-O 3.48Å; K331-T362 PolarHBondContact N-O 2.92Å; K331-T362 PolarHBondContact O-N 2.91Å; K331-T362 PolarHBondContact O-OG1 3.38Å; N360-T362 PolarHBondContact O-N 3.34Å |
| 363 | I | 95.8 | Very high | 77.6 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 110.1 | 173.2 | -62.2 | -163.2 | 0 | 0 | 0 | 108 | T139 L140 I228 L248 F293 L328 I330 | T139-I363 CarbonylContact C-O 3.41Å; T139-I363 VanDerWaalsContact CA-O 3.27Å; T139-I363 WeakPolarHBondContact CA-O 3.44Å; L140-I363 PolarHBondContact N-O 2.98Å; L140-I363 PolarHBondContact O-N 2.88Å; I228-I363 HydrophobicContact CB-CD1 4.25Å; I228-I363 HydrophobicContact CD1-CD1 3.64Å; I228-I363 HydrophobicContact CG1-CD1 3.51Å; I228-I363 HydrophobicContact CG2-CD1 3.85Å; I228-I363 HydrophobicContact CG2-CG1 4.47Å; L248-I363 HydrophobicContact CD2-CD1 4.16Å; F293-I363 HydrophobicContact CE2-CG2 4.31Å; F293-I363 HydrophobicContact CZ-CG2 4.08Å; L328-I363 HydrophobicContact CD1-CG2 3.6Å; L328-I363 HydrophobicContact CD2-CG2 4.33Å; L328-I363 HydrophobicContact CG-CG2 4.09Å; I330-I363 HydrophobicContact CD1-CD1 3.93Å; I330-I363 HydrophobicContact CD1-CG1 4.16Å; I330-I363 HydrophobicContact CG1-CB 4.46Å; I330-I363 HydrophobicContact CG1-CD1 4.31Å; I330-I363 HydrophobicContact CG1-CG1 3.98Å; I330-I363 HydrophobicContact CG1-CG2 4.28Å; I330-I363 HydrophobicContact CG2-CG1 4.07Å |
| 364 | S | 96.8 | Very high | 80.5 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.9 | 179 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | T139 L328 H329 W366 | T139-S364 VanDerWaalsContact CG2-OG 3.31Å; T139-S364 WeakPolarHBondContact CG2-OG 3.43Å; T139-S364 WeakPolarHBondContact OG1-CA 3.33Å; T139-S364 WeakPolarHBondContact OG1-CB 3.4Å; T139-S364 PolarHBondContact OG1-OG 2.91Å; L328-S364 CarbonylContact C-O 3.57Å; L328-S364 WeakPolarHBondContact CA-O 3.43Å; H329-S364 PolarHBondContact N-O 2.67Å; H329-S364 PolarHBondContact O-N 3.04Å; S364-W366 VanDerWaalsContact CB-CE2 3.43Å |
| 365 | Y | 95.9 | Very high | 83.1 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 93.5 | 171.3 | -171.3 | -123.9 | 0 | 0 | 0 | 107.2 | S137 V138 G242 I245 V297 Y326 L328 | S137-Y365 WeakPolarHBondContact CA-O 3.44Å; V138-Y365 HydrophobicContact CG1-CD1 4.47Å; V138-Y365 PolarHBondContact N-O 3.49Å; V138-Y365 PolarHBondContact O-N 2.78Å; G242-Y365 WeakPolarHBondContact O-CE2 3.29Å; I245-Y365 HydrophobicContact CB-CE2 4.47Å; I245-Y365 HydrophobicContact CG2-CD2 4.29Å; I245-Y365 HydrophobicContact CG2-CE2 3.81Å; V297-Y365 HydrophobicContact CB-CE1 4.46Å; V297-Y365 HydrophobicContact CG2-CD1 3.69Å; V297-Y365 HydrophobicContact CG2-CE1 3.95Å; V297-Y365 HydrophobicContact CG2-CG 4.24Å; Y326-Y365 AromaticContact CD1-CD1 3.48Å; Y326-Y365 HydrophobicContact CD1-CD1 3.48Å; Y326-Y365 VanDerWaalsContact CD1-CD1 3.48Å; Y326-Y365 AromaticContact CD1-CD2 3.94Å; Y326-Y365 HydrophobicContact CD1-CD2 3.94Å; Y326-Y365 AromaticContact CD1-CE1 3.2Å; Y326-Y365 HydrophobicContact CD1-CE1 3.2Å; Y326-Y365 AromaticContact CD1-CE2 3.69Å; Y326-Y365 HydrophobicContact CD1-CE2 3.69Å; Y326-Y365 AromaticContact CD1-CG 3.84Å; Y326-Y365 HydrophobicContact CD1-CG 3.84Å; Y326-Y365 AromaticContact CD1-CZ 3.31Å; Y326-Y365 AromaticContact CE1-CD1 3.68Å; Y326-Y365 HydrophobicContact CE1-CD1 3.68Å; Y326-Y365 AromaticContact CE1-CE1 3.44Å; Y326-Y365 HydrophobicContact CE1-CE1 3.44Å; Y326-Y365 VanDerWaalsContact CE1-CE1 3.44Å; Y326-Y365 HydrophobicContact CE1-CG 4.42Å; Y326-Y365 AromaticContact CG-CE1 3.97Å; Y326-Y365 HydrophobicContact CG-CE1 3.97Å; Y326-Y365 AromaticContact CG-CE2 3.95Å; Y326-Y365 HydrophobicContact CG-CE2 3.95Å; Y326-Y365 AromaticContact CG-CZ 3.63Å; L328-Y365 HydrophobicContact CD1-CD2 3.9Å; L328-Y365 HydrophobicContact CD1-CG 4.41Å |
| 366 | W | 96 | Very high | 85.5 | Confident | 31 Ų | 31 | 26 Ų | 26 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.4 | -173.2 | -68.3 | -35.8 | 0 | 0 | 0 | 111.3 | Y326 R327 H329 S364 F368 P564 R565 L568 | Y326-W366 VanDerWaalsContact CA-O 3.24Å; Y326-W366 WeakPolarHBondContact CA-O 3.44Å; R327-W366 PolarHBondContact N-O 3.19Å; R327-W366 PolarHBondContact O-N 3.24Å; H329-W366 HydrophobicContact CB-CE3 3.94Å; H329-W366 HydrophobicContact CB-CH2 4Å; H329-W366 HydrophobicContact CB-CZ3 3.53Å; H329-W366 AromaticContact CD2-CH2 3.61Å; H329-W366 AromaticContact CD2-CZ3 3.9Å; H329-W366 AromaticContact CG-CH2 3.96Å; H329-W366 AromaticContact CG-CZ3 3.75Å; S364-W366 VanDerWaalsContact CB-CE2 3.43Å; W366-F368 HydrophobicContact CB-CE1 4.47Å; W366-F368 HydrophobicContact CB-CE2 4.29Å; W366-F368 HydrophobicContact CB-CZ 4.06Å; W366-F368 HydrophobicContact CE3-CZ 4Å; W366-P564 HydrophobicContact CH2-CB 4.28Å; W366-P564 HydrophobicContact CZ3-CB 4.18Å; W366-R565 HydrophobicContact CD2-CB 4.49Å; W366-R565 HydrophobicContact CD2-CG 4.17Å; W366-R565 HydrophobicContact CE3-CB 4.13Å; W366-R565 HydrophobicContact CE3-CG 4.09Å; W366-R565 HydrophobicContact CH2-CB 3.91Å; W366-R565 HydrophobicContact CZ2-CB 4.28Å; W366-R565 HydrophobicContact CZ3-CB 3.82Å; W366-R565 HydrophobicContact CZ3-CG 4.3Å; W366-L568 HydrophobicContact CE3-CD1 4.41Å; W366-L568 HydrophobicContact CZ3-CD1 4.26Å |
| 367 | C | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.5 | 167.6 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | E133 S137 Y326 | E133-C367 VanDerWaalsContact CB-O 3.32Å; E133-C367 WeakPolarHBondContact CB-O 3.45Å; E133-C367 VanDerWaalsContact CG-O 3.3Å; E133-C367 WeakPolarHBondContact CG-O 3.49Å; S137-C367 PolarHBondContact OG-N 3.17Å; Y326-C367 HydrophobicContact CD1-CB 4.24Å; Y326-C367 HydrophobicContact CD2-CB 4.45Å; Y326-C367 HydrophobicContact CE1-CB 3.69Å; Y326-C367 HydrophobicContact CE2-CB 3.83Å; Y326-C367 VanDerWaalsContact CZ-CB 3.46Å |
| 368 | F | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -103.5 | 10.1 | 175.1 | -66.2 | -60 | 0 | 0 | 0 | 114 | C325 R327 W366 P370 R565 L568 K569 Y572 | C325-F368 PolarHBondContact O-N 3.3Å; R327-F368 HydrophobicContact CB-CE2 4.06Å; R327-F368 HydrophobicContact CG-CD2 4.27Å; R327-F368 HydrophobicContact CG-CE2 3.95Å; W366-F368 HydrophobicContact CB-CE1 4.47Å; W366-F368 HydrophobicContact CB-CE2 4.29Å; W366-F368 HydrophobicContact CB-CZ 4.06Å; W366-F368 HydrophobicContact CE3-CZ 4Å; F368-P370 WeakPolarHBondContact O-CD 3.28Å; F368-R565 HydrophobicContact CE1-CG 3.61Å; F368-R565 HydrophobicContact CZ-CG 4.03Å; F368-L568 HydrophobicContact CE2-CB 3.61Å; F368-L568 HydrophobicContact CZ-CB 3.6Å; F368-K569 HydrophobicContact CB-CD 3.98Å; F368-K569 HydrophobicContact CD1-CB 3.68Å; F368-K569 HydrophobicContact CD1-CD 3.74Å; F368-K569 HydrophobicContact CD1-CG 4.23Å; F368-K569 HydrophobicContact CE1-CB 3.73Å; F368-K569 HydrophobicContact CG-CB 4.46Å; F368-K569 HydrophobicContact CG-CD 4.2Å; F368-K569 PolarHBondContact O-NZ 2.65Å; F368-Y572 HydrophobicContact CB-CD1 3.45Å; F368-Y572 VanDerWaalsContact CB-CD1 3.45Å; F368-Y572 HydrophobicContact CB-CD2 4.19Å; F368-Y572 HydrophobicContact CB-CE1 3.95Å; F368-Y572 HydrophobicContact CB-CG 3.58Å; F368-Y572 HydrophobicContact CD2-CG 4.49Å; F368-Y572 HydrophobicContact CG-CG 4.38Å; F368-Y572 WeakPolarHBondContact O-CE1 3.49Å | ||
| 369 | S | 92.3 | Very high | 90.5 | Very high | 15 Ų | 15 | 22.2 Ų | 22.2 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | trans | -116.2 | 89.5 | -176.8 | -169 | 0 | 0 | 0 | 0 | 111.2 | C325 G371 R372 Y572 | C325-S369 WeakPolarHBondContact SG-CB 3.41Å; S369-G371 PolarHBondContact O-N 2.97Å; S369-R372 PolarHBondContact O-N 3.45Å; S369-Y572 WeakPolarHBondContact CB-OH 3.33Å | ||
| 370 | P | 91.7 | Very high | 91 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.7 | -176.4 | 27 | -34.3 | 0 | 0 | 0 | 112.8 | E129 C132 E133 F368 R372 A373 I374 E401 L402 | E129-P370 HydrophobicContact CB-CB 4.2Å; E129-P370 HydrophobicContact CB-CG 3.99Å; E129-P370 HydrophobicContact CG-CG 4.38Å; E129-P370 WeakPolarHBondContact O-CB 3.39Å; C132-P370 HydrophobicContact CB-CB 3.4Å; C132-P370 WeakPolarHBondContact CB-O 3.49Å; E133-P370 HydrophobicContact CG-CB 4.25Å; F368-P370 WeakPolarHBondContact O-CD 3.28Å; P370-R372 PolarHBondContact O-N 3.39Å; P370-A373 PolarHBondContact O-N 3.43Å; P370-A373 VanDerWaalsContact O-N 3.14Å; P370-I374 PolarHBondContact O-N 3.41Å; P370-E401 HydrophobicContact CG-CB 4.08Å; P370-E401 WeakPolarHBondContact CG-O 3.1Å; P370-L402 HydrophobicContact CB-CD2 3.88Å; P370-L402 HydrophobicContact CG-CD2 4.07Å |
| 371 | G | 89.1 | Confident | 91.2 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.3 | -17.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S369 I374 Q375 E401 L402 | S369-G371 PolarHBondContact O-N 2.97Å; G371-I374 PolarHBondContact O-N 3.01Å; G371-Q375 WeakPolarHBondContact O-CB 3.23Å; G371-Q375 PolarHBondContact O-N 3.38Å; G371-E401 PolarHBondContact N-O 3.21Å; G371-L402 WeakPolarHBondContact CA-O 3.19Å |
| 372 | R | 85.7 | Confident | 91.2 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 173.7 | -75.4 | -173.7 | 54 | 149.4 | -6.8 | 112.8 | S322 Y326 S369 P370 I374 Q375 Q376 | S322-R372 VanDerWaalsContact C-NH1 3.33Å; S322-R372 PolarHBondContact O-NH1 3.31Å; Y326-R372 PolarHBondContact OH-NH2 2.68Å; S369-R372 PolarHBondContact O-N 3.45Å; P370-R372 PolarHBondContact O-N 3.39Å; R372-I374 VanDerWaalsContact C-N 3.34Å; R372-Q375 PolarHBondContact O-N 3.48Å; R372-Q376 PolarHBondContact O-N 3.01Å; R372-Q376 VanDerWaalsContact O-N 3.08Å |
| 373 | A | 88.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C132 P370 Q376 L377 | C132-A373 HydrophobicContact CB-CB 3.84Å; P370-A373 PolarHBondContact O-N 3.43Å; P370-A373 VanDerWaalsContact O-N 3.14Å; A373-Q376 PolarHBondContact O-N 2.94Å; A373-L377 PolarHBondContact O-N 3.21Å |
| 374 | I | 89.8 | Confident | 91 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.5 | -60.8 | -59.1 | 0 | 0 | 0 | 111.4 | L103 P370 G371 R372 Q376 L377 I378 L402 L404 | L103-I374 HydrophobicContact CD2-CD1 4.23Å; P370-I374 PolarHBondContact O-N 3.41Å; G371-I374 PolarHBondContact O-N 3.01Å; R372-I374 VanDerWaalsContact C-N 3.34Å; I374-Q376 VanDerWaalsContact C-N 3.33Å; I374-Q376 PolarHBondContact O-N 3Å; I374-L377 WeakPolarHBondContact O-CB 3.5Å; I374-L377 PolarHBondContact O-N 3.34Å; I374-I378 HydrophobicContact CG2-CD1 3.94Å; I374-I378 WeakPolarHBondContact O-CG1 3.5Å; I374-I378 PolarHBondContact O-N 3.01Å; I374-L402 HydrophobicContact CD1-CD2 4.49Å; I374-L402 HydrophobicContact CG1-CB 4.34Å; I374-L402 HydrophobicContact CG1-CD2 4.02Å; I374-L404 HydrophobicContact CG2-CB 4.32Å; I374-L404 HydrophobicContact CG2-CD2 3.8Å |
| 375 | Q | 85.3 | Confident | 90.9 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.7 | -42 | 173.9 | -171.6 | 177.3 | 3.5 | 0 | 0 | 111.5 | G371 R372 L377 I378 Q379 | G371-Q375 WeakPolarHBondContact O-CB 3.23Å; G371-Q375 PolarHBondContact O-N 3.38Å; R372-Q375 PolarHBondContact O-N 3.48Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 2.95Å; Q375-I378 PolarHBondContact O-N 3.3Å; Q375-Q379 VanDerWaalsContact O-CG 3.3Å; Q375-Q379 WeakPolarHBondContact O-CG 3.23Å; Q375-Q379 PolarHBondContact O-N 3.49Å |
| 376 | Q | 84.8 | Confident | 90.8 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -21.5 | 173.1 | -73.8 | -171.5 | -60.5 | 0 | 0 | 114.5 | P105 R108 Y300 R372 A373 I374 Q380 | P105-Q376 HydrophobicContact CG-CB 4.47Å; R108-Q376 PolarHBondContact NH2-O 3.12Å; Y300-Q376 HydrophobicContact CE1-CG 4.28Å; Y300-Q376 PolarHBondContact OH-NE2 3.26Å; Y300-Q376 PolarHBondContact OH-OE1 3.34Å; R372-Q376 PolarHBondContact O-N 3.01Å; R372-Q376 VanDerWaalsContact O-N 3.08Å; A373-Q376 PolarHBondContact O-N 2.94Å; I374-Q376 VanDerWaalsContact C-N 3.33Å; I374-Q376 PolarHBondContact O-N 3Å; Q376-Q380 WeakPolarHBondContact O-CG 3.29Å |
| 377 | L | 89.3 | Confident | 90.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -79.8 | -43.3 | 172.4 | -178.8 | 61.7 | 0 | 0 | 0 | 110.7 | V102 L103 L115 F122 A373 I374 Q375 Q379 Q380 V382 I385 | V102-L377 HydrophobicContact CG1-CD1 3.84Å; V102-L377 HydrophobicContact CG1-CD2 4.35Å; L103-L377 HydrophobicContact CD2-CD2 4.32Å; L115-L377 HydrophobicContact CD1-CD1 3.55Å; F122-L377 HydrophobicContact CE2-CD2 3.77Å; F122-L377 HydrophobicContact CZ-CD2 3.8Å; A373-L377 PolarHBondContact O-N 3.21Å; I374-L377 WeakPolarHBondContact O-CB 3.5Å; I374-L377 PolarHBondContact O-N 3.34Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 2.95Å; L377-Q379 VanDerWaalsContact C-N 3.28Å; L377-Q379 PolarHBondContact O-N 2.65Å; L377-Q380 WeakPolarHBondContact O-CB 3.15Å; L377-Q380 PolarHBondContact O-N 2.87Å; L377-V382 HydrophobicContact CD1-CG1 4.02Å; L377-V382 HydrophobicContact CG-CG1 4.36Å; L377-V382 HydrophobicContact CG-CG2 4.43Å; L377-I385 HydrophobicContact CD2-CD1 3.93Å; L377-I385 HydrophobicContact CD2-CG1 4.39Å; L377-I385 HydrophobicContact CG-CD1 4.32Å |
| 378 | I | 88.4 | Confident | 90.6 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 36% | 0.359 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 175 | -67.4 | 165.4 | 0 | 0 | 0 | 110.9 | I374 Q375 Q380 N381 I385 L404 | I374-I378 HydrophobicContact CG2-CD1 3.94Å; I374-I378 WeakPolarHBondContact O-CG1 3.5Å; I374-I378 PolarHBondContact O-N 3.01Å; Q375-I378 PolarHBondContact O-N 3.3Å; I378-Q380 PolarHBondContact O-N 2.99Å; I378-N381 PolarHBondContact O-N 2.82Å; I378-I385 HydrophobicContact CG1-CD1 4.16Å; I378-L404 HydrophobicContact CD1-CD1 4.33Å |
| 379 | Q | 88 | Confident | 90.3 | Very high | 89 Ų | 89 | 43 Ų | 43 | 42% | 0.416 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -7 | 173.2 | -76.7 | 171.9 | -20.9 | 0 | 0 | 114.8 | Q375 L377 N381 | Q375-Q379 VanDerWaalsContact O-CG 3.3Å; Q375-Q379 WeakPolarHBondContact O-CG 3.23Å; Q375-Q379 PolarHBondContact O-N 3.49Å; L377-Q379 VanDerWaalsContact C-N 3.28Å; L377-Q379 PolarHBondContact O-N 2.65Å; Q379-N381 VanDerWaalsContact C-N 3.32Å |
| 380 | Q | 88.8 | Confident | 89.7 | Confident | 68 Ų | 68 | 45.4 Ų | 45.4 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 12.6 | 172.4 | -47.8 | -66.4 | -116.2 | 0 | 0 | 113 | L115 E116 Q376 L377 I378 V382 | L115-Q380 CarbonylContact C-O 3.55Å; L115-Q380 HydrophobicContact CB-CB 4.07Å; E116-Q380 VanDerWaalsContact CA-O 3.29Å; E116-Q380 WeakPolarHBondContact CA-O 3.17Å; E116-Q380 PolarHBondContact N-O 3.14Å; Q376-Q380 WeakPolarHBondContact O-CG 3.29Å; L377-Q380 WeakPolarHBondContact O-CB 3.15Å; L377-Q380 PolarHBondContact O-N 2.87Å; I378-Q380 PolarHBondContact O-N 2.99Å; Q380-V382 PolarHBondContact O-N 2.69Å |
| 381 | N | 91.5 | Very high | 89.2 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 37 | -175.9 | -65.1 | -27.9 | 0 | 0 | 0 | 113.3 | E116 N117 I378 Q379 R383 | E116-N381 HydrophobicContact CG-CB 4.34Å; N117-N381 PolarHBondContact N-O 3.05Å; I378-N381 PolarHBondContact O-N 2.82Å; Q379-N381 VanDerWaalsContact C-N 3.32Å; N381-R383 PolarHBondContact O-N 3.31Å |
| 382 | V | 93 | Very high | 88.9 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | trans | -59 | 135.3 | 171.5 | -71.9 | 0 | 0 | 0 | 0 | 110.4 | L115 V120 L377 Q380 I385 | L115-V382 HydrophobicContact CB-CG1 3.82Å; V120-V382 HydrophobicContact CG2-CB 4.49Å; V120-V382 HydrophobicContact CG2-CG1 3.83Å; L377-V382 HydrophobicContact CD1-CG1 4.02Å; L377-V382 HydrophobicContact CG-CG1 4.36Å; L377-V382 HydrophobicContact CG-CG2 4.43Å; Q380-V382 PolarHBondContact O-N 2.69Å; V382-I385 HydrophobicContact CG2-CD1 4.1Å; V382-I385 HydrophobicContact CG2-CG1 4.05Å | ||
| 383 | R | 93.5 | Very high | 88.6 | Confident | 187 Ų | 187 | 50.2 Ų | 50.2 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -75.2 | -35.4 | -177.3 | 176.7 | 179.1 | 176.2 | 173.8 | 0.1 | 112.6 | N117 T118 N381 | N117-R383 WeakPolarHBondContact O-CB 3.44Å; N117-R383 WeakPolarHBondContact OD1-CD 3.28Å; T118-R383 PolarHBondContact O-N 2.64Å; N381-R383 PolarHBondContact O-N 3.31Å |
| 384 | C | 93.6 | Very high | 88.4 | Confident | 51 Ų | 51 | 53 Ų | 53 | 35% | 0.345 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 143.3 | -175.6 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | T119 V120 | T119-C384 WeakPolarHBondContact CA-O 3.44Å; T119-C384 HydrophobicContact CG2-CB 4.04Å; V120-C384 PolarHBondContact N-O 2.92Å |
| 385 | I | 93.2 | Very high | 88.3 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126 | 170.7 | -58.6 | 171.2 | 0 | 0 | 0 | 107 | V120 F122 L377 I378 V382 L387 L404 | V120-I385 WeakPolarHBondContact O-CA 3.41Å; F122-I385 HydrophobicContact CD2-CG2 4.06Å; F122-I385 HydrophobicContact CE2-CG2 4.04Å; L377-I385 HydrophobicContact CD2-CD1 3.93Å; L377-I385 HydrophobicContact CD2-CG1 4.39Å; L377-I385 HydrophobicContact CG-CD1 4.32Å; I378-I385 HydrophobicContact CG1-CD1 4.16Å; V382-I385 HydrophobicContact CG2-CD1 4.1Å; V382-I385 HydrophobicContact CG2-CG1 4.05Å; I385-L387 HydrophobicContact CG2-CD2 4.36Å; I385-L404 HydrophobicContact CD1-CD2 4.46Å |
| 386 | I | 95 | Very high | 88.3 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 35% | 0.349 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.7 | 177.4 | -54.4 | 180 | 0 | 0 | 0 | 107.9 | T119 V120 I121 F122 T388 | T119-I386 HydrophobicContact CG2-CD1 4.06Å; T119-I386 HydrophobicContact CG2-CG1 4.49Å; V120-I386 PolarHBondContact O-N 3.25Å; I121-I386 WeakPolarHBondContact CA-O 3.5Å; I121-I386 HydrophobicContact CG1-CB 4.31Å; I121-I386 HydrophobicContact CG1-CD1 4.31Å; I121-I386 HydrophobicContact CG2-CB 4.4Å; I121-I386 HydrophobicContact CG2-CG2 4.48Å; F122-I386 PolarHBondContact N-O 3.26Å; I386-T388 HydrophobicContact CG2-CG2 4.31Å |
| 387 | L | 93.9 | Very high | 88.5 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.2 | 170.2 | -56 | -171 | 0 | 0 | 0 | 109.5 | F122 A125 I385 L392 I398 L402 F406 | F122-L387 HydrophobicContact CB-CD2 3.74Å; F122-L387 HydrophobicContact CD2-CD2 3.7Å; F122-L387 HydrophobicContact CG-CD2 4.07Å; A125-L387 HydrophobicContact CB-CB 4.11Å; A125-L387 HydrophobicContact CB-CD2 4.19Å; I385-L387 HydrophobicContact CG2-CD2 4.36Å; L387-L392 HydrophobicContact CB-CD1 4.05Å; L387-I398 HydrophobicContact CD1-CG2 4.41Å; L387-L402 HydrophobicContact CD1-CD1 3.96Å; L387-F406 HydrophobicContact CD1-CE1 4.15Å; L387-F406 HydrophobicContact CD1-CE2 3.8Å; L387-F406 HydrophobicContact CD1-CZ 3.4Å; L387-F406 VanDerWaalsContact CD1-CZ 3.4Å; L387-F406 HydrophobicContact CG-CE1 4.09Å; L387-F406 HydrophobicContact CG-CZ 3.84Å |
| 388 | T | 92.7 | Very high | 88.5 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.8 | 171.7 | 47.6 | 0 | 0 | 0 | 0 | 111 | F122 D123 E124 A125 I386 | F122-T388 PolarHBondContact O-N 3.29Å; F122-T388 PolarHBondContact O-OG1 2.93Å; D123-T388 CarbonylContact C-O 3.46Å; D123-T388 WeakPolarHBondContact CA-OG1 3.45Å; D123-T388 WeakPolarHBondContact OD1-CB 3.33Å; D123-T388 PolarHBondContact OD1-OG1 3.27Å; E124-T388 CarbonylContact C-O 3.43Å; E124-T388 VanDerWaalsContact CA-O 3.31Å; E124-T388 WeakPolarHBondContact CA-O 3.46Å; E124-T388 PolarHBondContact N-O 3.45Å; A125-T388 PolarHBondContact N-O 3.27Å; I386-T388 HydrophobicContact CG2-CG2 4.31Å |
| 389 | S | 87.3 | Confident | 88.6 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -170.5 | 151.5 | 165.4 | 168.4 | 0 | 0 | 0 | 0 | 108.7 | E124 H126 T391 | E124-S389 VanDerWaalsContact OE2-CB 3.27Å; E124-S389 WeakPolarHBondContact OE2-CB 3.45Å; E124-S389 PolarHBondContact OE2-OG 2.98Å; H126-S389 PolarHBondContact ND1-OG 3.35Å; S389-T391 PolarHBondContact O-N 3.5Å; S389-T391 VanDerWaalsContact O-N 3.17Å; S389-T391 PolarHBondContact OG-N 3.28Å; S389-T391 VanDerWaalsContact OG-N 3.16Å; S389-T391 PolarHBondContact OG-OG1 3.06Å | ||
| 390 | G | 80.5 | Confident | 88.5 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 68% | 0.68 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E124 | E124-G390 PolarHBondContact OE1-N 3.1Š|
| 391 | T | 80.7 | Confident | 88.6 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 16.9 | -169.9 | 61.4 | 0 | 0 | 0 | 0 | 115.9 | H126 S389 Y393 N613 | H126-T391 WeakPolarHBondContact CB-OG1 3.36Å; S389-T391 PolarHBondContact O-N 3.5Å; S389-T391 VanDerWaalsContact O-N 3.17Å; S389-T391 PolarHBondContact OG-N 3.28Å; S389-T391 VanDerWaalsContact OG-N 3.16Å; S389-T391 PolarHBondContact OG-OG1 3.06Å; T391-Y393 VanDerWaalsContact C-N 3.29Å; T391-Y393 PolarHBondContact O-N 3.09Å; T391-N613 HydrophobicContact CG2-CB 3.93Å |
| 392 | L | 83.1 | Confident | 88.5 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | trans | -68.3 | -14.9 | -178.9 | -60 | -175.5 | 0 | 0 | 0 | 115.9 | A125 L387 P394 V395 I398 | A125-L392 HydrophobicContact CB-CD2 4.24Å; L387-L392 HydrophobicContact CB-CD1 4.05Å; L392-P394 CarbonylContact O-C 3.5Å; L392-V395 HydrophobicContact CB-CG1 4.12Å; L392-V395 WeakPolarHBondContact O-CA 3.31Å; L392-V395 WeakPolarHBondContact O-CG1 3.4Å; L392-V395 PolarHBondContact O-N 3.18Å; L392-I398 HydrophobicContact CB-CD1 4.2Å; L392-I398 HydrophobicContact CD2-CD1 4.01Å; L392-I398 WeakPolarHBondContact O-CD1 3.49Å | ||
| 393 | Y | 79.8 | Confident | 88 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | trans | -89.9 | 135.7 | -175 | -85.3 | -85 | 0 | 0 | 0 | 112.6 | T391 V395 R411 | T391-Y393 VanDerWaalsContact C-N 3.29Å; T391-Y393 PolarHBondContact O-N 3.09Å; Y393-V395 HydrophobicContact CD1-CG1 3.94Å; Y393-V395 HydrophobicContact CD1-CG2 4.4Å; Y393-V395 HydrophobicContact CD2-CG1 4.07Å; Y393-V395 HydrophobicContact CE1-CB 4.44Å; Y393-V395 HydrophobicContact CE1-CG1 3.77Å; Y393-V395 HydrophobicContact CE1-CG2 3.89Å; Y393-V395 HydrophobicContact CE2-CG1 3.91Å; Y393-V395 HydrophobicContact CG-CG1 4.08Å; Y393-R411 HydrophobicContact CD2-CG 4.2Å; Y393-R411 HydrophobicContact CE2-CB 3.76Å; Y393-R411 HydrophobicContact CE2-CG 3.88Å | ||
| 394 | P | 84 | Confident | 87.7 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | S | Bend | cis | -68.3 | 137.3 | -1.5 | 29.1 | -35.6 | 0 | 0 | 0 | 112.7 | L392 E396 P397 L606 | L392-P394 CarbonylContact O-C 3.5Å; P394-E396 VanDerWaalsContact CB-OE2 3.31Å; P394-E396 WeakPolarHBondContact CB-OE2 3.27Å; P394-P397 HydrophobicContact CG-CG 4.35Å; P394-P397 WeakPolarHBondContact O-CD 3.3Å; P394-L606 HydrophobicContact CG-CD1 4.44Å |
| 395 | V | 87 | Confident | 87.2 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | trans | -84 | -19.3 | -177.1 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | L392 Y393 I398 E399 T409 | L392-V395 HydrophobicContact CB-CG1 4.12Å; L392-V395 WeakPolarHBondContact O-CA 3.31Å; L392-V395 WeakPolarHBondContact O-CG1 3.4Å; L392-V395 PolarHBondContact O-N 3.18Å; Y393-V395 HydrophobicContact CD1-CG1 3.94Å; Y393-V395 HydrophobicContact CD1-CG2 4.4Å; Y393-V395 HydrophobicContact CD2-CG1 4.07Å; Y393-V395 HydrophobicContact CE1-CB 4.44Å; Y393-V395 HydrophobicContact CE1-CG1 3.77Å; Y393-V395 HydrophobicContact CE1-CG2 3.89Å; Y393-V395 HydrophobicContact CE2-CG1 3.91Å; Y393-V395 HydrophobicContact CG-CG1 4.08Å; V395-I398 WeakPolarHBondContact O-CA 3.45Å; V395-I398 WeakPolarHBondContact O-CB 2.88Å; V395-I398 PolarHBondContact O-N 3.03Å; V395-E399 PolarHBondContact O-N 3.39Å; V395-T409 HydrophobicContact CG2-CG2 4.46Å | ||
| 396 | E | 87.4 | Confident | 86.9 | Confident | 62 Ų | 62 | 38.2 Ų | 38.2 | 29% | 0.29 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -41.5 | -175 | -66.1 | 79.6 | -178.9 | 0 | 0 | 113.9 | P394 I398 A400 K596 | P394-E396 VanDerWaalsContact CB-OE2 3.31Å; P394-E396 WeakPolarHBondContact CB-OE2 3.27Å; E396-I398 VanDerWaalsContact C-N 3.3Å; E396-I398 PolarHBondContact O-N 3.32Å; E396-A400 WeakPolarHBondContact O-CB 3.47Å; E396-A400 PolarHBondContact O-N 3.27Å; E396-A400 VanDerWaalsContact O-N 3.13Å; E396-K596 HydrophobicContact CB-CB 4.18Å; E396-K596 HydrophobicContact CB-CD 3.84Å; E396-K596 HydrophobicContact CB-CG 3.89Å; E396-K596 HydrophobicContact CG-CD 3.69Å; E396-K596 HydrophobicContact CG-CG 4.05Å; E396-K596 VanDerWaalsContact CG-NZ 3.34Å |
| 397 | P | 88.1 | Confident | 86.5 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -33.3 | 171.7 | -21.1 | 35.6 | 0 | 0 | 0 | 112.5 | P394 A400 E401 P598 L606 | P394-P397 HydrophobicContact CG-CG 4.35Å; P394-P397 WeakPolarHBondContact O-CD 3.3Å; P397-A400 PolarHBondContact O-N 3.05Å; P397-E401 WeakPolarHBondContact O-CB 3.45Å; P397-E401 WeakPolarHBondContact O-CG 3.42Å; P397-E401 PolarHBondContact O-N 3.31Å; P397-P598 HydrophobicContact CB-CB 4.32Å; P397-P598 HydrophobicContact CB-CG 4.05Å; P397-L606 HydrophobicContact CB-CD2 4.07Å; P397-L606 HydrophobicContact CG-CD2 3.95Å |
| 398 | I | 89.2 | Confident | 86.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.5 | -44.8 | 179.5 | -46.6 | -171.6 | 0 | 0 | 0 | 109.9 | I128 L387 L392 V395 E396 A400 L402 | I128-I398 HydrophobicContact CG2-CG2 4.27Å; L387-I398 HydrophobicContact CD1-CG2 4.41Å; L392-I398 HydrophobicContact CB-CD1 4.2Å; L392-I398 HydrophobicContact CD2-CD1 4.01Å; L392-I398 WeakPolarHBondContact O-CD1 3.49Å; V395-I398 WeakPolarHBondContact O-CA 3.45Å; V395-I398 WeakPolarHBondContact O-CB 2.88Å; V395-I398 PolarHBondContact O-N 3.03Å; E396-I398 VanDerWaalsContact C-N 3.3Å; E396-I398 PolarHBondContact O-N 3.32Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.34Å; I398-L402 HydrophobicContact CG2-CD1 3.7Å; I398-L402 HydrophobicContact CG2-CG 3.96Å; I398-L402 WeakPolarHBondContact O-CB 3.47Å; I398-L402 VanDerWaalsContact O-CG 3.3Å; I398-L402 WeakPolarHBondContact O-CG 3.19Å; I398-L402 PolarHBondContact O-N 3.22Å |
| 399 | E | 89.5 | Confident | 86.3 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.1 | -42.3 | 172.3 | -68.9 | -165.8 | 112.4 | 0 | 0 | 111.9 | V395 N403 L404 K405 F406 K596 | V395-E399 PolarHBondContact O-N 3.39Å; E399-N403 WeakPolarHBondContact O-CA 3.48Å; E399-N403 PolarHBondContact O-N 2.84Å; E399-N403 VanDerWaalsContact O-N 3.15Å; E399-L404 VanDerWaalsContact CA-O 3.27Å; E399-L404 WeakPolarHBondContact CA-O 3.44Å; E399-L404 WeakPolarHBondContact CB-O 3.42Å; E399-L404 PolarHBondContact O-N 3.38Å; E399-K405 WeakPolarHBondContact OE1-CA 3.42Å; E399-F406 HydrophobicContact CG-CD2 3.83Å; E399-F406 HydrophobicContact CG-CE2 4.38Å; E399-F406 PolarHBondContact OE1-N 3.47Å; E399-K596 IonicContact OE2-NZ 3.85Å |
| 400 | A | 86.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.6 | -45.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E396 P397 I398 N403 Y597 | E396-A400 WeakPolarHBondContact O-CB 3.47Å; E396-A400 PolarHBondContact O-N 3.27Å; E396-A400 VanDerWaalsContact O-N 3.13Å; P397-A400 PolarHBondContact O-N 3.05Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.34Å; A400-N403 PolarHBondContact O-N 3.49Å; A400-Y597 HydrophobicContact CB-CD2 3.75Å; A400-Y597 HydrophobicContact CB-CE2 4.34Å; A400-Y597 HydrophobicContact CB-CG 4.34Å |
| 401 | E | 90.2 | Very high | 86.8 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.023 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.9 | -42.2 | -179.5 | -71.9 | -169 | -106.8 | 0 | 0 | 112.9 | P370 G371 P397 N403 K569 L573 P598 W603 | P370-E401 HydrophobicContact CG-CB 4.08Å; P370-E401 WeakPolarHBondContact CG-O 3.1Å; G371-E401 PolarHBondContact N-O 3.21Å; P397-E401 WeakPolarHBondContact O-CB 3.45Å; P397-E401 WeakPolarHBondContact O-CG 3.42Å; P397-E401 PolarHBondContact O-N 3.31Å; E401-N403 PolarHBondContact O-N 3.29Å; E401-K569 WeakPolarHBondContact OE2-CE 3.48Å; E401-K569 IonicContact OE2-NZ 3.54Å; E401-K569 PolarHBondContact OE2-NZ 3.05Å; E401-L573 HydrophobicContact CG-CD2 4.1Å; E401-P598 HydrophobicContact CG-CG 3.99Å; E401-W603 VanDerWaalsContact OE1-CD1 3.22Å |
| 402 | L | 89.5 | Confident | 87 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.5 | 172.2 | -63.9 | -171.5 | 0 | 0 | 0 | 112.4 | I128 E129 P370 G371 I374 L387 I398 L404 F406 | I128-L402 HydrophobicContact CG2-CD1 4.09Å; I128-L402 HydrophobicContact CG2-CD2 4.37Å; E129-L402 HydrophobicContact CG-CD2 4.09Å; P370-L402 HydrophobicContact CB-CD2 3.88Å; P370-L402 HydrophobicContact CG-CD2 4.07Å; G371-L402 WeakPolarHBondContact CA-O 3.19Å; I374-L402 HydrophobicContact CD1-CD2 4.49Å; I374-L402 HydrophobicContact CG1-CB 4.34Å; I374-L402 HydrophobicContact CG1-CD2 4.02Å; L387-L402 HydrophobicContact CD1-CD1 3.96Å; I398-L402 HydrophobicContact CG2-CD1 3.7Å; I398-L402 HydrophobicContact CG2-CG 3.96Å; I398-L402 WeakPolarHBondContact O-CB 3.47Å; I398-L402 VanDerWaalsContact O-CG 3.3Å; I398-L402 WeakPolarHBondContact O-CG 3.19Å; I398-L402 PolarHBondContact O-N 3.22Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L404 HydrophobicContact CB-CB 4.24Å; L402-L404 PolarHBondContact O-N 2.94Å; L402-F406 HydrophobicContact CD1-CZ 4.29Å |
| 403 | N | 84.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 57.2 | -169.7 | -162.8 | 13.3 | 0 | 0 | 0 | 110.1 | F315 E399 A400 E401 | F315-N403 HydrophobicContact CE1-CB 4.26Å; F315-N403 VanDerWaalsContact CE1-CG 3.48Å; F315-N403 WeakPolarHBondContact CE1-O 3.41Å; F315-N403 WeakPolarHBondContact CE1-OD1 3.28Å; F315-N403 WeakPolarHBondContact CZ-O 3.42Å; F315-N403 WeakPolarHBondContact CZ-OD1 3.17Å; E399-N403 WeakPolarHBondContact O-CA 3.48Å; E399-N403 PolarHBondContact O-N 2.84Å; E399-N403 VanDerWaalsContact O-N 3.15Å; A400-N403 PolarHBondContact O-N 3.49Å; E401-N403 PolarHBondContact O-N 3.29Å |
| 404 | L | 85.2 | Confident | 87.4 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | trans | -149.3 | 122.2 | -177.9 | 179.2 | 59.8 | 0 | 0 | 0 | 109.3 | I374 I378 I385 E399 L402 F406 | I374-L404 HydrophobicContact CG2-CB 4.32Å; I374-L404 HydrophobicContact CG2-CD2 3.8Å; I378-L404 HydrophobicContact CD1-CD1 4.33Å; I385-L404 HydrophobicContact CD1-CD2 4.46Å; E399-L404 VanDerWaalsContact CA-O 3.27Å; E399-L404 WeakPolarHBondContact CA-O 3.44Å; E399-L404 WeakPolarHBondContact CB-O 3.42Å; E399-L404 PolarHBondContact O-N 3.38Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L404 HydrophobicContact CB-CB 4.24Å; L402-L404 PolarHBondContact O-N 2.94Å; L404-F406 HydrophobicContact CB-CZ 4.46Å; L404-F406 HydrophobicContact CD2-CE1 3.64Å; L404-F406 HydrophobicContact CD2-CZ 3.69Å; L404-F406 HydrophobicContact CG-CE1 4.01Å; L404-F406 HydrophobicContact CG-CZ 4Å | ||
| 405 | K | 83.3 | Confident | 87.6 | Confident | 99 Ų | 99 | 68 Ų | 68 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | trans | -83.6 | 135.3 | 174.8 | -65 | -169.6 | 176 | -169.2 | 0 | 110.4 | E399 P407 | E399-K405 WeakPolarHBondContact OE1-CA 3.42Å; K405-P407 VanDerWaalsContact O-CD 3.22Å; K405-P407 WeakPolarHBondContact O-CD 3.43Å | ||
| 406 | F | 86.9 | Confident | 87.7 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | trans | -102.5 | 94.3 | 171.3 | -61.4 | -67.7 | 0 | 0 | 0 | 109.2 | L387 E399 L402 L404 I408 T409 | L387-F406 HydrophobicContact CD1-CE1 4.15Å; L387-F406 HydrophobicContact CD1-CE2 3.8Å; L387-F406 HydrophobicContact CD1-CZ 3.4Å; L387-F406 VanDerWaalsContact CD1-CZ 3.4Å; L387-F406 HydrophobicContact CG-CE1 4.09Å; L387-F406 HydrophobicContact CG-CZ 3.84Å; E399-F406 HydrophobicContact CG-CD2 3.83Å; E399-F406 HydrophobicContact CG-CE2 4.38Å; E399-F406 PolarHBondContact OE1-N 3.47Å; L402-F406 HydrophobicContact CD1-CZ 4.29Å; L404-F406 HydrophobicContact CB-CZ 4.46Å; L404-F406 HydrophobicContact CD2-CE1 3.64Å; L404-F406 HydrophobicContact CD2-CZ 3.69Å; L404-F406 HydrophobicContact CG-CE1 4.01Å; L404-F406 HydrophobicContact CG-CZ 4Å; F406-I408 PolarHBondContact O-N 2.81Å; F406-I408 VanDerWaalsContact O-N 3.08Å; F406-T409 HydrophobicContact CB-CG2 4.18Å | ||
| 407 | P | 88.3 | Confident | 87.8 | Confident | 130 Ų | 130 | 69.3 Ų | 69.3 | 84% | 0.844 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -67.4 | -10.6 | -177.9 | 29.5 | -36.9 | 0 | 0 | 0 | 113.5 | K405 | K405-P407 VanDerWaalsContact O-CD 3.22Å; K405-P407 WeakPolarHBondContact O-CD 3.43Å |
| 408 | I | 91.7 | Very high | 87.8 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 80% | 0.795 | 39% | 0.39 | S | S | * | . | trans | -122.4 | 104.8 | 172.7 | -57.3 | 174.8 | 0 | 0 | 0 | 107.2 | F406 | F406-I408 PolarHBondContact O-N 2.81Å; F406-I408 VanDerWaalsContact O-N 3.08Å | ||
| 409 | T | 90.8 | Very high | 87.9 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | trans | -112.5 | 127.8 | 171.1 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | V395 F406 | V395-T409 HydrophobicContact CG2-CG2 4.46Å; F406-T409 HydrophobicContact CB-CG2 4.18Å | ||
| 410 | L | 90.4 | Very high | 88.1 | Confident | 130 Ų | 130 | 74 Ų | 74 | 68% | 0.681 | 40% | 0.398 | S | S | * | . | trans | -114.9 | 132.2 | 175.5 | -176.9 | 62.8 | 0 | 0 | 0 | 110 | ||||
| 411 | R | 87 | Confident | 88.4 | Confident | 156 Ų | 156 | 73.7 Ų | 73.7 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | trans | -129.3 | 98.7 | 173 | -174.7 | 173.9 | 168.9 | -178.3 | -5.3 | 109.4 | Y393 | Y393-R411 HydrophobicContact CD2-CG 4.2Å; Y393-R411 HydrophobicContact CE2-CB 3.76Å; Y393-R411 HydrophobicContact CE2-CG 3.88Å | ||
| 412 | N | 85.4 | Confident | 88.6 | Confident | 117 Ų | 117 | 74.2 Ų | 74.2 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 152.3 | 176 | -65.3 | -26.5 | 0 | 0 | 0 | 110.8 | ||
| 413 | P | 83.8 | Confident | 88.9 | Confident | 122 Ų | 122 | 74.1 Ų | 74.1 | 79% | 0.792 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 162 | 163.7 | 30.6 | -35.4 | 0 | 0 | 0 | 110.6 | ||
| 414 | H | 86.9 | Confident | 89.5 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 154.7 | 175.3 | -155.6 | -95 | 0 | 0 | 0 | 111.4 | I416 W648 | H414-I416 PolarHBondContact O-N 3.28Å; H414-W648 HydrophobicContact CB-CB 3.59Å; H414-W648 HydrophobicContact CB-CD2 4.37Å; H414-W648 HydrophobicContact CB-CG 3.94Å; H414-W648 AromaticContact CD2-CD1 3.7Å; H414-W648 AromaticContact CD2-CD2 3.61Å; H414-W648 AromaticContact CD2-CE2 3.75Å; H414-W648 AromaticContact CD2-CG 3.64Å; H414-W648 AromaticContact CD2-NE1 3.77Å; H414-W648 AromaticContact CG-CD2 3.84Å; H414-W648 AromaticContact CG-CG 3.84Å; H414-W648 AromaticContact NE2-CD2 3.95Å; H414-W648 AromaticContact NE2-CE2 3.79Å |
| 415 | V | 87.7 | Confident | 90.1 | Very high | 93 Ų | 93 | 69.8 Ų | 69.8 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -78.2 | -1.9 | -171.5 | 79.8 | 0 | 0 | 0 | 0 | 114.6 | Y623 | V415-Y623 WeakPolarHBondContact O-CA 3.48Å; V415-Y623 WeakPolarHBondContact O-CB 3.27Å |
| 416 | I | 89.9 | Confident | 90.7 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -112.9 | 154.1 | -176.9 | 72.1 | -173.7 | 0 | 0 | 0 | 111.5 | H414 Q420 L421 I620 W648 | H414-I416 PolarHBondContact O-N 3.28Å; I416-Q420 HydrophobicContact CB-CB 4.03Å; I416-Q420 HydrophobicContact CB-CG 4.49Å; I416-Q420 HydrophobicContact CD1-CB 4.13Å; I416-Q420 HydrophobicContact CG1-CB 4.31Å; I416-L421 HydrophobicContact CD1-CB 4.28Å; I416-I620 HydrophobicContact CD1-CD1 4.02Å; I416-I620 HydrophobicContact CD1-CG1 3.98Å; I416-I620 HydrophobicContact CD1-CG2 4.15Å; I416-I620 HydrophobicContact CG2-CG2 3.44Å; I416-I620 VanDerWaalsContact CG2-CG2 3.44Å; I416-W648 HydrophobicContact CD1-CE3 4.25Å; I416-W648 HydrophobicContact CD1-CZ3 4Å |
| 417 | N | 89.5 | Confident | 91.2 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | trans | -68.4 | 148.6 | 168.3 | -65.1 | -50.9 | 0 | 0 | 0 | 110.7 | D419 Q420 Y677 | N417-D419 WeakPolarHBondContact CB-OD1 3.35Å; N417-D419 PolarHBondContact O-N 3.26Å; N417-Q420 PolarHBondContact ND2-OE1 3.42Å; N417-Q420 PolarHBondContact O-N 3.04Å; N417-Y677 PolarHBondContact ND2-OH 3.26Å; N417-Y677 VanDerWaalsContact ND2-OH 3.15Å | ||
| 418 | P | 87.4 | Confident | 91.6 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 0.9 | -178.1 | -22 | 34 | 0 | 0 | 0 | 115.7 | K652 | P418-K652 WeakPolarHBondContact O-CD 3.33Å; P418-K652 WeakPolarHBondContact O-CE 3.42Å; P418-K652 PolarHBondContact O-NZ 3.37Å |
| 419 | D | 91.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -14.1 | 172.5 | 67.2 | -59.2 | 0 | 0 | 0 | 113.8 | N417 L421 F669 M673 K676 | N417-D419 WeakPolarHBondContact CB-OD1 3.35Å; N417-D419 PolarHBondContact O-N 3.26Å; D419-L421 PolarHBondContact O-N 2.72Å; D419-L421 VanDerWaalsContact O-N 3.15Å; D419-F669 WeakPolarHBondContact O-CE2 3.05Å; D419-M673 HydrophobicContact CB-CE 4.3Å; D419-M673 WeakPolarHBondContact O-CE 3.41Å; D419-K676 IonicContact OD1-NZ 2.72Å; D419-K676 PolarHBondContact OD1-NZ 3.13Å; D419-K676 VanDerWaalsContact OD1-NZ 3.08Å; D419-K676 IonicContact OD2-NZ 3.85Å; D419-K676 PolarHBondContact OD2-NZ 2.59Å |
| 420 | Q | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -72.7 | 0.7 | 176.8 | -71.8 | 168.7 | -112.2 | 0 | 0 | 114 | I416 N417 Y623 D625 Y626 G627 M673 Y677 | I416-Q420 HydrophobicContact CB-CB 4.03Å; I416-Q420 HydrophobicContact CB-CG 4.49Å; I416-Q420 HydrophobicContact CD1-CB 4.13Å; I416-Q420 HydrophobicContact CG1-CB 4.31Å; N417-Q420 PolarHBondContact ND2-OE1 3.42Å; N417-Q420 PolarHBondContact O-N 3.04Å; Q420-Y623 PolarHBondContact NE2-O 3.46Å; Q420-D625 PolarHBondContact NE2-O 2.87Å; Q420-Y626 WeakPolarHBondContact O-CA 3.38Å; Q420-Y626 WeakPolarHBondContact O-CB 3.41Å; Q420-G627 PolarHBondContact O-N 3.5Å; Q420-M673 HydrophobicContact CG-SD 4.35Å; Q420-Y677 HydrophobicContact CG-CD2 4.34Å; Q420-Y677 HydrophobicContact CG-CE1 4.33Å; Q420-Y677 HydrophobicContact CG-CE2 3.53Å; Q420-Y677 WeakPolarHBondContact CG-OH 3.27Å; Q420-Y677 PolarHBondContact OE1-OH 3.1Å |
| 421 | L | 94.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.1 | -179.8 | -164.6 | 79.5 | 0 | 0 | 0 | 111.4 | I416 D419 V619 I620 I629 W648 M649 | I416-L421 HydrophobicContact CD1-CB 4.28Å; D419-L421 PolarHBondContact O-N 2.72Å; D419-L421 VanDerWaalsContact O-N 3.15Å; L421-V619 HydrophobicContact CD1-CG1 4.25Å; L421-I620 HydrophobicContact CD1-CD1 4.38Å; L421-I620 HydrophobicContact CD1-CG1 4.22Å; L421-I629 HydrophobicContact CD1-CD1 3.63Å; L421-I629 HydrophobicContact CD1-CG1 4.21Å; L421-I629 HydrophobicContact CD2-CD1 3.93Å; L421-I629 HydrophobicContact CG-CD1 4.07Å; L421-W648 HydrophobicContact CD1-CH2 4.28Å; L421-W648 HydrophobicContact CD1-CZ3 3.82Å; L421-W648 HydrophobicContact CD2-CE3 3.86Å; L421-W648 HydrophobicContact CD2-CH2 4.28Å; L421-W648 HydrophobicContact CD2-CZ3 3.45Å; L421-W648 VanDerWaalsContact CD2-CZ3 3.45Å; L421-W648 HydrophobicContact CG-CZ3 4.14Å; L421-M649 HydrophobicContact CD2-CG 4.13Å |
| 422 | N | 94.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.5 | 163 | 175.5 | 2.1 | 0 | 0 | 0 | 108.7 | S424 I628 I629 D665 F669 | N422-S424 PolarHBondContact OD1-OG 2.87Å; N422-I628 HydrophobicContact CB-CD1 4.15Å; N422-I628 HydrophobicContact CB-CG1 3.69Å; N422-I628 WeakPolarHBondContact O-CA 3.11Å; N422-I628 WeakPolarHBondContact O-CG1 3.45Å; N422-I629 PolarHBondContact O-N 3.2Å; N422-D665 PolarHBondContact ND2-O 3.39Å; N422-F669 HydrophobicContact CB-CD2 3.76Å; N422-F669 HydrophobicContact CB-CE2 4.04Å; N422-F669 HydrophobicContact CB-CG 4.1Å |
| 423 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.1 | 178.9 | -169 | 166.4 | 0 | 0 | 0 | 109.4 | I425 I629 L631 L645 M649 K652 C653 K654 | L423-I425 HydrophobicContact CD2-CD1 4.45Å; L423-I425 HydrophobicContact CD2-CG1 3.9Å; L423-I629 WeakPolarHBondContact CA-O 3.24Å; L423-I629 HydrophobicContact CB-CB 4.39Å; L423-I629 HydrophobicContact CB-CD1 4.49Å; L423-I629 HydrophobicContact CD1-CD1 4.08Å; L423-I629 HydrophobicContact CD1-CG2 4.45Å; L423-I629 HydrophobicContact CG-CB 3.99Å; L423-I629 HydrophobicContact CG-CD1 4.3Å; L423-I629 HydrophobicContact CG-CG2 4.09Å; L423-L631 HydrophobicContact CD1-CD1 4.46Å; L423-L631 HydrophobicContact CD2-CD1 3.76Å; L423-L631 HydrophobicContact CD2-CG 3.94Å; L423-L631 HydrophobicContact CG-CD1 4.5Å; L423-L645 HydrophobicContact CD1-CD1 4.26Å; L423-M649 HydrophobicContact CD1-CB 3.73Å; L423-M649 HydrophobicContact CD1-CG 4.27Å; L423-M649 HydrophobicContact CD1-SD 4.01Å; L423-K652 HydrophobicContact CB-CB 4.43Å; L423-K652 VanDerWaalsContact O-O 3.05Å; L423-C653 HydrophobicContact CD2-CB 4.41Å; L423-K654 PolarHBondContact O-N 3.46Å |
| 424 | S | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.9 | -176.3 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | N422 I629 Y630 L631 Y656 | N422-S424 PolarHBondContact OD1-OG 2.87Å; S424-I629 PolarHBondContact N-O 2.87Å; S424-Y630 WeakPolarHBondContact O-CA 3.46Å; S424-L631 PolarHBondContact O-N 2.9Å; S424-Y656 VanDerWaalsContact CB-CE2 3.45Å; S424-Y656 WeakPolarHBondContact OG-CE2 3.32Å; S424-Y656 PolarHBondContact OG-OH 3.19Å |
| 425 | I | 97.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.2 | 172.7 | -65.1 | 162.7 | 0 | 0 | 0 | 108.2 | L423 L631 F636 A637 Q642 C653 K654 V655 Y656 | L423-I425 HydrophobicContact CD2-CD1 4.45Å; L423-I425 HydrophobicContact CD2-CG1 3.9Å; I425-L631 HydrophobicContact CG1-CB 4.17Å; I425-L631 HydrophobicContact CG1-CD1 4.24Å; I425-F636 HydrophobicContact CG1-CB 4.29Å; I425-F636 HydrophobicContact CG2-CB 3.7Å; I425-A637 HydrophobicContact CG2-CB 4.2Å; I425-Q642 HydrophobicContact CD1-CG 3.96Å; I425-C653 HydrophobicContact CD1-CB 3.94Å; I425-K654 PolarHBondContact N-O 2.85Å; I425-V655 HydrophobicContact CB-CB 4.49Å; I425-V655 HydrophobicContact CB-CG2 4.05Å; I425-V655 HydrophobicContact CD1-CG2 4Å; I425-V655 HydrophobicContact CG2-CG1 4.32Å; I425-V655 HydrophobicContact CG2-CG2 4.18Å; I425-Y656 PolarHBondContact O-N 2.78Å |
| 426 | I | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -121.3 | 96.1 | -172.9 | -50.7 | -177 | 0 | 0 | 0 | 108.6 | R428 L435 L454 L458 Y630 L631 C632 D633 V659 V662 | I426-R428 WeakPolarHBondContact CG2-O 3.49Å; I426-L435 HydrophobicContact CG2-CD1 4.08Å; I426-L454 HydrophobicContact CB-CD2 4.46Å; I426-L454 HydrophobicContact CD1-CD1 4.06Å; I426-L454 HydrophobicContact CD1-CD2 4.26Å; I426-L454 HydrophobicContact CG2-CD1 4.18Å; I426-L454 HydrophobicContact CG2-CD2 3.88Å; I426-L458 HydrophobicContact CD1-CD1 3.84Å; I426-Y630 HydrophobicContact CD1-CD1 3.85Å; I426-Y630 HydrophobicContact CD1-CG 4.37Å; I426-L631 PolarHBondContact N-O 3.3Å; I426-C632 WeakPolarHBondContact O-CA 3.4Å; I426-D633 PolarHBondContact O-N 3Å; I426-V659 HydrophobicContact CG2-CG2 4.46Å; I426-V662 HydrophobicContact CD1-CG1 3.99Å; I426-V662 HydrophobicContact CD1-CG2 4.21Å; I426-V662 HydrophobicContact CG1-CG2 4.3Å | ||
| 427 | P | 96.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -82.3 | -13.6 | -179 | 34.6 | -36.1 | 0 | 0 | 0 | 113.6 | L435 E634 V655 Y656 | P427-L435 PolarHBondContact O-N 2.64Å; P427-E634 HydrophobicContact CB-CB 3.84Å; P427-V655 HydrophobicContact CG-CG1 4.32Å; P427-Y656 VanDerWaalsContact CD-O 3.24Å; P427-Y656 WeakPolarHBondContact CD-O 3.39Å |
| 428 | R | 96.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 33.4 Ų | 33.4 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -141.2 | 147.3 | -176.4 | -68.6 | 179.1 | -179.4 | -93.9 | 6.6 | 111.6 | I426 G432 E433 | I426-R428 WeakPolarHBondContact CG2-O 3.49Å; R428-G432 WeakPolarHBondContact CD-O 3.45Å; R428-G432 PolarHBondContact NH1-O 3.32Å; R428-E433 CarbonylContact C-O 3.54Å; R428-E433 WeakPolarHBondContact CA-O 3.48Å; R428-E433 WeakPolarHBondContact CB-O 3.44Å |
| 429 | G | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | trans | -83.2 | -177.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | D431 G432 E433 S450 | G429-D431 VanDerWaalsContact C-N 3.25Å; G429-D431 PolarHBondContact O-N 2.97Å; G429-G432 WeakPolarHBondContact O-CA 3.24Å; G429-G432 PolarHBondContact O-N 3.3Å; G429-E433 PolarHBondContact N-O 3.29Å; G429-S450 WeakPolarHBondContact CA-OG 3.49Å | ||
| 430 | P | 94.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24.7 | -174.9 | -19.5 | 33.2 | 0 | 0 | 0 | 113.9 | G432 L453 L454 Q457 V659 | P430-G432 PolarHBondContact O-N 3.03Å; P430-L453 HydrophobicContact CG-CB 4.04Å; P430-L454 HydrophobicContact CG-CB 4.45Å; P430-Q457 HydrophobicContact CG-CG 4.48Å; P430-V659 HydrophobicContact CG-CB 4.41Å; P430-V659 HydrophobicContact CG-CG1 4.38Å; P430-V659 HydrophobicContact CG-CG2 4.13Å |
| 431 | D | 94 | Very high | 94 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.1 | 172.4 | 49.8 | 9.5 | 0 | 0 | 0 | 113 | G429 E433 S450 | G429-D431 VanDerWaalsContact C-N 3.25Å; G429-D431 PolarHBondContact O-N 2.97Å; D431-E433 PolarHBondContact O-N 3.07Å; D431-E433 PolarHBondContact OD1-N 3.1Å; D431-S450 VanDerWaalsContact OD1-CB 3.23Å; D431-S450 WeakPolarHBondContact OD1-CB 3.48Å; D431-S450 PolarHBondContact OD1-OG 2.88Å; D431-S450 VanDerWaalsContact OD2-CA 3.25Å; D431-S450 WeakPolarHBondContact OD2-CA 3.2Å; D431-S450 VanDerWaalsContact OD2-CB 3.27Å; D431-S450 WeakPolarHBondContact OD2-CB 3.44Å |
| 432 | G | 92.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 79.1 | -4.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | R428 G429 P430 | R428-G432 WeakPolarHBondContact CD-O 3.45Å; R428-G432 PolarHBondContact NH1-O 3.32Å; G429-G432 WeakPolarHBondContact O-CA 3.24Å; G429-G432 PolarHBondContact O-N 3.3Å; P430-G432 PolarHBondContact O-N 3.03Å |
| 433 | E | 94.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 46 Ų | 46 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | trans | -64.3 | 151.1 | 178.9 | -88 | -60.8 | 166 | 0 | 0 | 112.5 | R428 G429 D431 L435 | R428-E433 CarbonylContact C-O 3.54Å; R428-E433 WeakPolarHBondContact CA-O 3.48Å; R428-E433 WeakPolarHBondContact CB-O 3.44Å; G429-E433 PolarHBondContact N-O 3.29Å; D431-E433 PolarHBondContact O-N 3.07Å; D431-E433 PolarHBondContact OD1-N 3.1Å; E433-L435 PolarHBondContact O-N 3.49Å | ||
| 434 | K | 95.1 | Very high | 93.6 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -77.5 | 122.2 | -177.7 | -80.4 | -175.4 | 162.2 | -139.3 | 0 | 111.3 | N436 E634 | K434-N436 PolarHBondContact O-N 2.93Å; K434-E634 WeakPolarHBondContact CE-OE2 3.46Å; K434-E634 IonicContact NZ-OE1 3.47Å; K434-E634 IonicContact NZ-OE2 2.79Å; K434-E634 PolarHBondContact NZ-OE2 2.83Å |
| 435 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -81.6 | 100.6 | 171.9 | -60.2 | 177.2 | 0 | 0 | 0 | 108.5 | I426 P427 E433 Y447 L451 L454 C632 D633 E634 | I426-L435 HydrophobicContact CG2-CD1 4.08Å; P427-L435 PolarHBondContact O-N 2.64Å; E433-L435 PolarHBondContact O-N 3.49Å; L435-Y447 HydrophobicContact CB-CE2 4.38Å; L435-Y447 HydrophobicContact CD2-CD2 4.42Å; L435-Y447 HydrophobicContact CD2-CE2 4.24Å; L435-L451 HydrophobicContact CD2-CB 4.3Å; L435-L454 HydrophobicContact CD1-CD2 3.58Å; L435-C632 HydrophobicContact CD1-CB 4.44Å; L435-D633 CarbonylContact O-C 3.41Å; L435-D633 VanDerWaalsContact O-CA 3.25Å; L435-D633 WeakPolarHBondContact O-CA 3.38Å; L435-E634 PolarHBondContact O-N 3.14Å | ||
| 436 | N | 95.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | trans | -138.7 | 105.1 | 177.7 | -172.6 | -34.3 | 0 | 0 | 0 | 110.1 | K434 T438 V441 Y447 E634 | K434-N436 PolarHBondContact O-N 2.93Å; N436-T438 PolarHBondContact O-N 2.86Å; N436-T438 VanDerWaalsContact O-N 3.09Å; N436-T438 VanDerWaalsContact OD1-CB 3.32Å; N436-T438 WeakPolarHBondContact OD1-CB 3.4Å; N436-T438 WeakPolarHBondContact OD1-CG2 3.5Å; N436-T438 PolarHBondContact OD1-N 2.91Å; N436-T438 VanDerWaalsContact OD1-N 3.12Å; N436-T438 PolarHBondContact OD1-OG1 2.89Å; N436-V441 HydrophobicContact CB-CG1 4.33Å; N436-V441 WeakPolarHBondContact O-CB 3.19Å; N436-V441 WeakPolarHBondContact O-CG1 3.38Å; N436-Y447 VanDerWaalsContact N-CE2 3.33Å; N436-E634 HydrophobicContact CB-CG 4.24Å; N436-E634 PolarHBondContact ND2-OE1 2.92Å | ||
| 437 | A | 94.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | trans | -80.2 | 23.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | F475 D633 | A437-F475 HydrophobicContact CB-CE1 4.33Å; A437-F475 HydrophobicContact CB-CZ 4.36Å; A437-D633 WeakPolarHBondContact CB-OD2 3.43Å; A437-D633 PolarHBondContact N-OD2 3.08Å | ||
| 438 | T | 92.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -69.8 | 156.1 | 171.8 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | N436 S440 V441 R442 | N436-T438 PolarHBondContact O-N 2.86Å; N436-T438 VanDerWaalsContact O-N 3.09Å; N436-T438 VanDerWaalsContact OD1-CB 3.32Å; N436-T438 WeakPolarHBondContact OD1-CB 3.4Å; N436-T438 WeakPolarHBondContact OD1-CG2 3.5Å; N436-T438 PolarHBondContact OD1-N 2.91Å; N436-T438 VanDerWaalsContact OD1-N 3.12Å; N436-T438 PolarHBondContact OD1-OG1 2.89Å; T438-S440 VanDerWaalsContact C-N 3.28Å; T438-S440 PolarHBondContact O-N 3.14Å; T438-V441 PolarHBondContact O-N 3.06Å; T438-V441 VanDerWaalsContact O-N 3.08Å; T438-R442 WeakPolarHBondContact O-CB 3.41Å; T438-R442 WeakPolarHBondContact O-CG 3.43Å; T438-R442 PolarHBondContact O-N 3.46Å |
| 439 | Y | 86.5 | Confident | 93.3 | Very high | 162 Ų | 162 | 52.9 Ų | 52.9 | 64% | 0.635 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -42.1 | -174.1 | -171.4 | -101.2 | 0 | 0 | 0 | 113.2 | V441 R442 E443 | Y439-V441 VanDerWaalsContact C-N 3.33Å; Y439-V441 PolarHBondContact O-N 3Å; Y439-R442 VanDerWaalsContact CD2-NH2 3.32Å; Y439-R442 VanDerWaalsContact CE2-NH2 3.34Å; Y439-E443 WeakPolarHBondContact CE2-OE1 3.38Å |
| 440 | S | 85.9 | Confident | 93.3 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.9 | -179.3 | 47.1 | 0 | 0 | 0 | 0 | 115.6 | T438 | T438-S440 VanDerWaalsContact C-N 3.28Å; T438-S440 PolarHBondContact O-N 3.14Å |
| 441 | V | 89.7 | Confident | 93.5 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -38.9 | -174.2 | 179.8 | 0 | 0 | 0 | 0 | 112 | N436 T438 Y439 E443 T444 Y447 | N436-V441 HydrophobicContact CB-CG1 4.33Å; N436-V441 WeakPolarHBondContact O-CB 3.19Å; N436-V441 WeakPolarHBondContact O-CG1 3.38Å; T438-V441 PolarHBondContact O-N 3.06Å; T438-V441 VanDerWaalsContact O-N 3.08Å; Y439-V441 VanDerWaalsContact C-N 3.33Å; Y439-V441 PolarHBondContact O-N 3Å; V441-E443 PolarHBondContact O-N 2.85Å; V441-T444 WeakPolarHBondContact O-CB 3.41Å; V441-T444 WeakPolarHBondContact O-CG2 3.07Å; V441-T444 PolarHBondContact O-N 3.3Å; V441-T444 PolarHBondContact O-OG1 2.91Å; V441-Y447 HydrophobicContact CG1-CD2 4.49Å |
| 442 | R | 90.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 18% | 0.177 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.1 | -173.2 | 78 | -173.5 | -172.1 | 166.7 | 10.2 | 115.2 | T438 Y439 Y447 R448 F475 | T438-R442 WeakPolarHBondContact O-CB 3.41Å; T438-R442 WeakPolarHBondContact O-CG 3.43Å; T438-R442 PolarHBondContact O-N 3.46Å; Y439-R442 VanDerWaalsContact CD2-NH2 3.32Å; Y439-R442 VanDerWaalsContact CE2-NH2 3.34Å; R442-Y447 HydrophobicContact CB-CD1 4.23Å; R442-Y447 HydrophobicContact CB-CE1 4.07Å; R442-R448 PolarHBondContact O-NE 3.47Å; R442-F475 HydrophobicContact CB-CD2 4.44Å; R442-F475 HydrophobicContact CB-CE2 3.74Å; R442-F475 HydrophobicContact CB-CZ 4.13Å; R442-F475 HydrophobicContact CG-CD2 4.37Å; R442-F475 HydrophobicContact CG-CE2 4.16Å |
| 443 | E | 89.9 | Confident | 93.8 | Very high | 74 Ų | 74 | 48 Ų | 48 | 35% | 0.346 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -5.6 | -178.9 | -57.3 | -172.4 | -177.1 | 0 | 0 | 111.9 | Y439 V441 | Y439-E443 WeakPolarHBondContact CE2-OE1 3.38Å; V441-E443 PolarHBondContact O-N 2.85Å |
| 444 | T | 94.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 36% | 0.356 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -74.3 | 145.5 | 173.4 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | V441 A446 Y447 R448 | V441-T444 WeakPolarHBondContact O-CB 3.41Å; V441-T444 WeakPolarHBondContact O-CG2 3.07Å; V441-T444 PolarHBondContact O-N 3.3Å; V441-T444 PolarHBondContact O-OG1 2.91Å; T444-A446 VanDerWaalsContact C-N 3.34Å; T444-Y447 WeakPolarHBondContact OG1-CB 3.31Å; T444-Y447 PolarHBondContact OG1-N 2.95Å; T444-R448 WeakPolarHBondContact O-CG 3.43Å; T444-R448 PolarHBondContact O-N 3.07Å |
| 445 | S | 94.4 | Very high | 94 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 51% | 0.51 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 173.6 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | R448 N449 Y482 | S445-R448 PolarHBondContact O-N 2.93Å; S445-N449 VanDerWaalsContact O-CB 3.26Å; S445-N449 WeakPolarHBondContact O-CB 3.22Å; S445-N449 PolarHBondContact O-N 2.69Å; S445-Y482 VanDerWaalsContact CB-OH 3.3Å; S445-Y482 WeakPolarHBondContact CB-OH 3.38Å; S445-Y482 PolarHBondContact O-OH 2.99Å |
| 446 | A | 95.2 | Very high | 94 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 34% | 0.339 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.6 | -52.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | T444 R448 N449 S450 | T444-A446 VanDerWaalsContact C-N 3.34Å; A446-R448 PolarHBondContact O-N 3.25Å; A446-N449 PolarHBondContact O-N 3.06Å; A446-S450 VanDerWaalsContact O-CB 3.31Å; A446-S450 WeakPolarHBondContact O-CB 3.48Å; A446-S450 PolarHBondContact O-N 3.49Å |
| 447 | Y | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 177.1 | 169.9 | -92.6 | 0 | 0 | 0 | 112.2 | L435 N436 V441 R442 T444 N449 S450 L451 F475 | L435-Y447 HydrophobicContact CB-CE2 4.38Å; L435-Y447 HydrophobicContact CD2-CD2 4.42Å; L435-Y447 HydrophobicContact CD2-CE2 4.24Å; N436-Y447 VanDerWaalsContact N-CE2 3.33Å; V441-Y447 HydrophobicContact CG1-CD2 4.49Å; R442-Y447 HydrophobicContact CB-CD1 4.23Å; R442-Y447 HydrophobicContact CB-CE1 4.07Å; T444-Y447 WeakPolarHBondContact OG1-CB 3.31Å; T444-Y447 PolarHBondContact OG1-N 2.95Å; Y447-N449 VanDerWaalsContact C-N 3.33Å; Y447-N449 PolarHBondContact O-N 3.48Å; Y447-S450 PolarHBondContact O-N 3.05Å; Y447-L451 HydrophobicContact CE1-CD2 3.9Å; Y447-L451 WeakPolarHBondContact O-CB 3.16Å; Y447-L451 PolarHBondContact O-N 3.23Å; Y447-F475 AromaticContact CE1-CE2 3.99Å; Y447-F475 HydrophobicContact CE1-CE2 3.99Å; Y447-F475 AromaticContact CE1-CZ 3.73Å; Y447-F475 HydrophobicContact CE1-CZ 3.73Å |
| 448 | R | 95.7 | Very high | 94 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 13% | 0.125 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | -179.5 | -67 | 179.9 | -175.6 | 176.8 | 2.1 | 112.1 | R442 T444 S445 A446 G452 Y482 W483 | R442-R448 PolarHBondContact O-NE 3.47Å; T444-R448 WeakPolarHBondContact O-CG 3.43Å; T444-R448 PolarHBondContact O-N 3.07Å; S445-R448 PolarHBondContact O-N 2.93Å; A446-R448 PolarHBondContact O-N 3.25Å; R448-G452 PolarHBondContact O-N 3.2Å; R448-G452 VanDerWaalsContact O-N 3.09Å; R448-Y482 HydrophobicContact CB-CD1 3.47Å; R448-Y482 VanDerWaalsContact CB-CD1 3.47Å; R448-Y482 HydrophobicContact CB-CE1 3.65Å; R448-Y482 HydrophobicContact CB-CG 4.1Å; R448-Y482 HydrophobicContact CG-CD1 4.43Å; R448-W483 PolarHBondContact O-NE1 3.34Å |
| 449 | N | 96.4 | Very high | 94.2 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 31% | 0.31 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.2 | -52.9 | 175.2 | -174.8 | 78.3 | 0 | 0 | 0 | 111.6 | S445 A446 Y447 L451 G452 L453 Y482 | S445-N449 VanDerWaalsContact O-CB 3.26Å; S445-N449 WeakPolarHBondContact O-CB 3.22Å; S445-N449 PolarHBondContact O-N 2.69Å; A446-N449 PolarHBondContact O-N 3.06Å; Y447-N449 VanDerWaalsContact C-N 3.33Å; Y447-N449 PolarHBondContact O-N 3.48Å; N449-L451 VanDerWaalsContact C-N 3.3Å; N449-L451 PolarHBondContact O-N 3.22Å; N449-G452 CarbonylContact O-C 3.54Å; N449-G452 WeakPolarHBondContact O-CA 3.2Å; N449-G452 PolarHBondContact O-N 3.06Å; N449-L453 WeakPolarHBondContact ND2-CD1 3.36Å; N449-L453 WeakPolarHBondContact O-CG 3.34Å; N449-L453 PolarHBondContact O-N 3.33Å; N449-Y482 HydrophobicContact CB-CE1 4.4Å |
| 450 | S | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.5 | -44.9 | 178.6 | -175 | 0 | 0 | 0 | 0 | 112.4 | G429 D431 A446 Y447 L453 L454 | G429-S450 WeakPolarHBondContact CA-OG 3.49Å; D431-S450 VanDerWaalsContact OD1-CB 3.23Å; D431-S450 WeakPolarHBondContact OD1-CB 3.48Å; D431-S450 PolarHBondContact OD1-OG 2.88Å; D431-S450 VanDerWaalsContact OD2-CA 3.25Å; D431-S450 WeakPolarHBondContact OD2-CA 3.2Å; D431-S450 VanDerWaalsContact OD2-CB 3.27Å; D431-S450 WeakPolarHBondContact OD2-CB 3.44Å; A446-S450 VanDerWaalsContact O-CB 3.31Å; A446-S450 WeakPolarHBondContact O-CB 3.48Å; A446-S450 PolarHBondContact O-N 3.49Å; Y447-S450 PolarHBondContact O-N 3.05Å; S450-L453 PolarHBondContact O-N 2.96Å; S450-L454 PolarHBondContact O-N 3.16Å |
| 451 | L | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 173.3 | -179.5 | 64 | 0 | 0 | 0 | 112.4 | L435 Y447 N449 L454 L455 W483 L554 | L435-L451 HydrophobicContact CD2-CB 4.3Å; Y447-L451 HydrophobicContact CE1-CD2 3.9Å; Y447-L451 WeakPolarHBondContact O-CB 3.16Å; Y447-L451 PolarHBondContact O-N 3.23Å; N449-L451 VanDerWaalsContact C-N 3.3Å; N449-L451 PolarHBondContact O-N 3.22Å; L451-L454 PolarHBondContact O-N 3.02Å; L451-L455 WeakPolarHBondContact O-CG 3.47Å; L451-L455 PolarHBondContact O-N 2.97Å; L451-L455 VanDerWaalsContact O-N 3.11Å; L451-W483 HydrophobicContact CB-CZ2 4.43Å; L451-W483 HydrophobicContact CD2-CH2 4.3Å; L451-W483 HydrophobicContact CD2-CZ2 3.91Å; L451-W483 HydrophobicContact CG-CH2 4.43Å; L451-W483 HydrophobicContact CG-CZ2 3.92Å; L451-L554 HydrophobicContact CD1-CD1 4.17Å; L451-L554 HydrophobicContact CD1-CD2 3.88Å; L451-L554 HydrophobicContact CD1-CG 4.46Å; L451-L554 HydrophobicContact CD2-CD1 4.31Å |
| 452 | G | 97 | Very high | 95 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R448 N449 L455 I456 | R448-G452 PolarHBondContact O-N 3.2Å; R448-G452 VanDerWaalsContact O-N 3.09Å; N449-G452 CarbonylContact O-C 3.54Å; N449-G452 WeakPolarHBondContact O-CA 3.2Å; N449-G452 PolarHBondContact O-N 3.06Å; G452-L455 PolarHBondContact O-N 2.68Å; G452-I456 WeakPolarHBondContact O-CG1 3.37Å; G452-I456 PolarHBondContact O-N 3.4Å |
| 453 | L | 96 | Very high | 95.2 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.1 | -67.2 | 177.2 | 0 | 0 | 0 | 112 | P430 N449 S450 I456 Q457 | P430-L453 HydrophobicContact CG-CB 4.04Å; N449-L453 WeakPolarHBondContact ND2-CD1 3.36Å; N449-L453 WeakPolarHBondContact O-CG 3.34Å; N449-L453 PolarHBondContact O-N 3.33Å; S450-L453 PolarHBondContact O-N 2.96Å; L453-I456 PolarHBondContact O-N 3.17Å; L453-Q457 PolarHBondContact O-N 3.43Å; L453-Q457 VanDerWaalsContact O-N 3.12Å |
| 454 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 174 | 178.1 | 62.7 | 0 | 0 | 0 | 111.9 | I426 P430 L435 S450 L451 Q457 L458 F552 C632 V659 | I426-L454 HydrophobicContact CB-CD2 4.46Å; I426-L454 HydrophobicContact CD1-CD1 4.06Å; I426-L454 HydrophobicContact CD1-CD2 4.26Å; I426-L454 HydrophobicContact CG2-CD1 4.18Å; I426-L454 HydrophobicContact CG2-CD2 3.88Å; P430-L454 HydrophobicContact CG-CB 4.45Å; L435-L454 HydrophobicContact CD1-CD2 3.58Å; S450-L454 PolarHBondContact O-N 3.16Å; L451-L454 PolarHBondContact O-N 3.02Å; L454-Q457 PolarHBondContact O-N 2.72Å; L454-L458 HydrophobicContact CD1-CD1 3.55Å; L454-L458 HydrophobicContact CD1-CG 4.28Å; L454-L458 HydrophobicContact CG-CD1 4.19Å; L454-L458 PolarHBondContact O-N 2.65Å; L454-F552 HydrophobicContact CG-CE1 4.49Å; L454-C632 HydrophobicContact CD2-CB 4.26Å; L454-V659 HydrophobicContact CD1-CB 4.37Å; L454-V659 HydrophobicContact CD1-CG1 3.5Å; L454-V659 HydrophobicContact CD1-CG2 3.86Å |
| 455 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | -179.6 | -71.6 | -178.9 | 0 | 0 | 0 | 112.1 | L451 G452 A459 I468 W483 L492 F530 F552 L554 | L451-L455 WeakPolarHBondContact O-CG 3.47Å; L451-L455 PolarHBondContact O-N 2.97Å; L451-L455 VanDerWaalsContact O-N 3.11Å; G452-L455 PolarHBondContact O-N 2.68Å; L455-A459 WeakPolarHBondContact O-CB 3.36Å; L455-A459 PolarHBondContact O-N 2.86Å; L455-I468 HydrophobicContact CD1-CD1 4.34Å; L455-I468 HydrophobicContact CD1-CG2 4.41Å; L455-I468 HydrophobicContact CD2-CD1 3.94Å; L455-I468 HydrophobicContact CD2-CG2 4.37Å; L455-W483 HydrophobicContact CD1-CH2 3.49Å; L455-W483 VanDerWaalsContact CD1-CH2 3.49Å; L455-W483 HydrophobicContact CD1-CZ2 4.13Å; L455-W483 HydrophobicContact CD1-CZ3 4.02Å; L455-L492 HydrophobicContact CB-CD1 4.03Å; L455-L492 HydrophobicContact CB-CD2 4.17Å; L455-F530 HydrophobicContact CD1-CE1 4.26Å; L455-F552 HydrophobicContact CD2-CD1 3.62Å; L455-F552 HydrophobicContact CD2-CD2 4Å; L455-F552 HydrophobicContact CD2-CE1 3.72Å; L455-F552 HydrophobicContact CD2-CE2 4.07Å; L455-F552 HydrophobicContact CD2-CG 3.79Å; L455-F552 HydrophobicContact CD2-CZ 3.95Å; L455-L554 HydrophobicContact CD1-CD1 4.23Å; L455-L554 HydrophobicContact CD2-CD2 4.49Å |
| 456 | I | 95.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -55.9 | 174.1 | -65.9 | 158.9 | 0 | 0 | 0 | 110.1 | G452 L453 L458 A459 V488 K491 L492 | G452-I456 WeakPolarHBondContact O-CG1 3.37Å; G452-I456 PolarHBondContact O-N 3.4Å; L453-I456 PolarHBondContact O-N 3.17Å; I456-L458 PolarHBondContact O-N 3.01Å; I456-L458 VanDerWaalsContact O-N 3.16Å; I456-A459 PolarHBondContact O-N 3.21Å; I456-V488 HydrophobicContact CD1-CB 4.45Å; I456-V488 HydrophobicContact CD1-CG1 4.1Å; I456-V488 HydrophobicContact CD1-CG2 4.41Å; I456-K491 HydrophobicContact CD1-CB 3.77Å; I456-K491 HydrophobicContact CD1-CD 3.8Å; I456-K491 HydrophobicContact CD1-CG 4.44Å; I456-K491 HydrophobicContact CG1-CB 4.05Å; I456-K491 HydrophobicContact CG2-CB 4.5Å; I456-L492 HydrophobicContact CG1-CD1 4.08Å; I456-L492 HydrophobicContact CG1-CG 3.76Å |
| 457 | Q | 94.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 21.2 Ų | 21.2 | 37% | 0.374 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59.8 | -30.9 | -173.5 | -76.1 | -171 | -16.7 | 0 | 0 | 114.3 | P430 L453 L454 V461 | P430-Q457 HydrophobicContact CG-CG 4.48Å; L453-Q457 PolarHBondContact O-N 3.43Å; L453-Q457 VanDerWaalsContact O-N 3.12Å; L454-Q457 PolarHBondContact O-N 2.72Å; Q457-V461 WeakPolarHBondContact O-CG2 3.46Å |
| 458 | L | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -97.8 | -21.9 | -179.2 | -69.3 | 173.8 | 0 | 0 | 0 | 113.3 | I426 L454 I456 D460 V461 V462 F552 Y630 V662 V663 | I426-L458 HydrophobicContact CD1-CD1 3.84Å; L454-L458 HydrophobicContact CD1-CD1 3.55Å; L454-L458 HydrophobicContact CD1-CG 4.28Å; L454-L458 HydrophobicContact CG-CD1 4.19Å; L454-L458 PolarHBondContact O-N 2.65Å; I456-L458 PolarHBondContact O-N 3.01Å; I456-L458 VanDerWaalsContact O-N 3.16Å; L458-D460 VanDerWaalsContact C-N 3.35Å; L458-D460 PolarHBondContact O-N 3.33Å; L458-V461 PolarHBondContact O-N 2.92Å; L458-V462 WeakPolarHBondContact O-CG2 3.23Å; L458-V462 PolarHBondContact O-N 3.4Å; L458-F552 HydrophobicContact CB-CE2 4.4Å; L458-F552 HydrophobicContact CB-CZ 3.7Å; L458-F552 HydrophobicContact CD1-CE1 3.99Å; L458-F552 HydrophobicContact CD1-CZ 3.69Å; L458-F552 HydrophobicContact CG-CZ 4.35Å; L458-Y630 HydrophobicContact CB-CE2 4.5Å; L458-Y630 HydrophobicContact CD1-CD1 4.11Å; L458-Y630 HydrophobicContact CD1-CE1 3.96Å; L458-Y630 HydrophobicContact CD1-CE2 4.37Å; L458-Y630 HydrophobicContact CD1-CG 4.4Å; L458-Y630 HydrophobicContact CD2-CE1 4.32Å; L458-V662 HydrophobicContact CD1-CG1 4.14Å; L458-V662 HydrophobicContact CD2-CB 4.36Å; L458-V662 HydrophobicContact CD2-CG1 3.87Å; L458-V663 HydrophobicContact CD2-CG2 3.72Å |
| 459 | A | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L455 I456 V461 V462 L466 L492 K496 I528 | L455-A459 WeakPolarHBondContact O-CB 3.36Å; L455-A459 PolarHBondContact O-N 2.86Å; I456-A459 PolarHBondContact O-N 3.21Å; A459-V461 PolarHBondContact O-N 3.47Å; A459-V462 PolarHBondContact O-N 2.79Å; A459-L466 HydrophobicContact CB-CD2 4.23Å; A459-L492 HydrophobicContact CB-CD2 3.93Å; A459-K496 WeakPolarHBondContact O-CE 3.23Å; A459-I528 HydrophobicContact CB-CD1 4.24Å |
| 460 | D | 90.9 | Very high | 95.7 | Very high | 108 Ų | 108 | 16.8 Ų | 16.8 | 58% | 0.578 | 9% | 0.092 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.7 | 179.2 | -69 | -25.3 | 0 | 0 | 0 | 113.3 | L458 S495 | L458-D460 VanDerWaalsContact C-N 3.35Å; L458-D460 PolarHBondContact O-N 3.33Å; D460-S495 WeakPolarHBondContact OD1-CB 3.47Å; D460-S495 PolarHBondContact OD1-OG 3.42Å |
| 461 | V | 94 | Very high | 95.6 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 20% | 0.2 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -30.5 | -173.8 | -161.6 | 0 | 0 | 0 | 0 | 112.4 | Q457 L458 A459 P463 V663 T666 D667 | Q457-V461 WeakPolarHBondContact O-CG2 3.46Å; L458-V461 PolarHBondContact O-N 2.92Å; A459-V461 PolarHBondContact O-N 3.47Å; V461-P463 WeakPolarHBondContact O-CD 3.39Å; V461-V663 HydrophobicContact CG2-CG1 4.04Å; V461-V663 HydrophobicContact CG2-CG2 4.44Å; V461-T666 HydrophobicContact CB-CG2 4Å; V461-T666 HydrophobicContact CG1-CG2 3.61Å; V461-D667 HydrophobicContact CG1-CB 3.84Å |
| 462 | V | 95.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -79 | 119.6 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 110 | L458 A459 L466 K496 R549 I628 Y630 T666 F670 | L458-V462 WeakPolarHBondContact O-CG2 3.23Å; L458-V462 PolarHBondContact O-N 3.4Å; A459-V462 PolarHBondContact O-N 2.79Å; V462-L466 HydrophobicContact CB-CD1 4.22Å; V462-L466 HydrophobicContact CG1-CD1 3.99Å; V462-L466 HydrophobicContact CG2-CD1 4.15Å; V462-K496 WeakPolarHBondContact O-CE 3.32Å; V462-K496 PolarHBondContact O-NZ 2.98Å; V462-R549 HydrophobicContact CG1-CB 4.25Å; V462-I628 HydrophobicContact CG2-CG2 4.48Å; V462-Y630 HydrophobicContact CG2-CE2 3.97Å; V462-T666 HydrophobicContact CG2-CG2 4.24Å; V462-F670 HydrophobicContact CB-CE2 4.32Å; V462-F670 HydrophobicContact CG1-CE2 4.14Å; V462-F670 HydrophobicContact CG1-CZ 4.02Å; V462-F670 HydrophobicContact CG2-CE2 4.09Å |
| 463 | P | 93.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 22.3 Ų | 22.3 | 23% | 0.227 | 12% | 0.122 | C | C | . | . | trans | -69.8 | 155.1 | 177.8 | 30.4 | -35.3 | 0 | 0 | 0 | 111.7 | V461 R549 F670 | V461-P463 WeakPolarHBondContact O-CD 3.39Å; P463-R549 HydrophobicContact CG-CB 4.46Å; P463-R549 HydrophobicContact CG-CG 4.47Å; P463-R549 WeakPolarHBondContact O-CB 3.5Å; P463-F670 VanDerWaalsContact CD-CD2 3.47Å; P463-F670 HydrophobicContact CG-CB 4.42Å; P463-F670 HydrophobicContact CG-CD1 3.73Å; P463-F670 HydrophobicContact CG-CD2 4.27Å; P463-F670 HydrophobicContact CG-CE1 4.01Å; P463-F670 HydrophobicContact CG-CG 3.88Å; P463-F670 HydrophobicContact CG-CZ 4.39Å | ||
| 464 | A | 93.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 56.5 | -133.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K496 A519 G526 A527 N546 R549 | A464-K496 PolarHBondContact O-NZ 2.96Å; A464-A519 WeakPolarHBondContact CB-O 3.43Å; A464-G526 WeakPolarHBondContact O-CA 3.13Å; A464-A527 PolarHBondContact O-N 3.49Å; A464-N546 HydrophobicContact CB-CB 3.8Å; A464-N546 VanDerWaalsContact CB-O 3.28Å; A464-N546 WeakPolarHBondContact CB-O 3.46Å; A464-R549 HydrophobicContact CB-CG 4.44Å |
| 465 | G | 95.1 | Very high | 95 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 132 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y515 A527 N546 G548 R549 | G465-Y515 VanDerWaalsContact CA-OH 3.25Å; G465-Y515 WeakPolarHBondContact CA-OH 3.24Å; G465-A527 WeakPolarHBondContact CA-O 3.33Å; G465-N546 WeakPolarHBondContact CA-O 3.17Å; G465-N546 PolarHBondContact N-O 2.99Å; G465-G548 CarbonylContact O-C 3.53Å; G465-R549 PolarHBondContact O-N 3.3Å |
| 466 | L | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.7 | 177.6 | -177.7 | 67.6 | 0 | 0 | 0 | 110.8 | A459 V462 I468 K496 Y515 A527 I528 L529 F552 | A459-L466 HydrophobicContact CB-CD2 4.23Å; V462-L466 HydrophobicContact CB-CD1 4.22Å; V462-L466 HydrophobicContact CG1-CD1 3.99Å; V462-L466 HydrophobicContact CG2-CD1 4.15Å; L466-I468 HydrophobicContact CD2-CD1 4.13Å; L466-I468 HydrophobicContact CD2-CG1 4.37Å; L466-I468 HydrophobicContact CG-CD1 4.44Å; L466-I468 HydrophobicContact CG-CG1 4.18Å; L466-K496 HydrophobicContact CB-CD 4.29Å; L466-Y515 PolarHBondContact N-OH 3.06Å; L466-A527 PolarHBondContact N-O 2.86Å; L466-I528 HydrophobicContact CB-CG1 4.2Å; L466-I528 HydrophobicContact CD2-CD1 4.39Å; L466-I528 HydrophobicContact CD2-CG1 4.13Å; L466-I528 CarbonylContact O-C 3.56Å; L466-I528 WeakPolarHBondContact O-CA 3.43Å; L466-L529 PolarHBondContact O-N 3.46Å; L466-F552 HydrophobicContact CD1-CD2 3.79Å; L466-F552 HydrophobicContact CD1-CE2 3.83Å; L466-F552 HydrophobicContact CD2-CD2 4.13Å; L466-F552 HydrophobicContact CD2-CE2 3.88Å; L466-F552 HydrophobicContact CG-CD2 4.16Å; L466-F552 HydrophobicContact CG-CE2 4.3Å |
| 467 | L | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.2 | 177.8 | -50.4 | 177.6 | 0 | 0 | 0 | 109.9 | F469 Y515 L529 L543 G550 V551 F552 R618 | L467-F469 HydrophobicContact CB-CD2 4.39Å; L467-F469 HydrophobicContact CB-CE2 3.86Å; L467-F469 HydrophobicContact CB-CZ 4.48Å; L467-F469 HydrophobicContact CD1-CE2 4.21Å; L467-F469 HydrophobicContact CD1-CZ 4.43Å; L467-Y515 HydrophobicContact CD2-CE1 3.99Å; L467-Y515 WeakPolarHBondContact CD2-OH 3.44Å; L467-L529 HydrophobicContact CD2-CB 4.06Å; L467-L529 HydrophobicContact CD2-CD2 4.31Å; L467-L543 HydrophobicContact CD1-CD1 3.57Å; L467-L543 HydrophobicContact CD2-CD1 3.91Å; L467-L543 HydrophobicContact CG-CD1 4.4Å; L467-G550 PolarHBondContact N-O 2.89Å; L467-V551 HydrophobicContact CB-CG2 4.14Å; L467-V551 HydrophobicContact CD1-CG2 4.03Å; L467-V551 HydrophobicContact CG-CG2 4.47Å; L467-V551 CarbonylContact O-C 3.6Å; L467-V551 WeakPolarHBondContact O-CA 3.35Å; L467-F552 PolarHBondContact O-N 2.84Å; L467-R618 HydrophobicContact CD1-CB 4.16Å |
| 468 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 102.5 | -177.6 | -56.4 | 179.9 | 0 | 0 | 0 | 109.7 | L455 L466 F470 I528 L529 F530 A531 F552 L554 | L455-I468 HydrophobicContact CD1-CD1 4.34Å; L455-I468 HydrophobicContact CD1-CG2 4.41Å; L455-I468 HydrophobicContact CD2-CD1 3.94Å; L455-I468 HydrophobicContact CD2-CG2 4.37Å; L466-I468 HydrophobicContact CD2-CD1 4.13Å; L466-I468 HydrophobicContact CD2-CG1 4.37Å; L466-I468 HydrophobicContact CG-CD1 4.44Å; L466-I468 HydrophobicContact CG-CG1 4.18Å; I468-F470 HydrophobicContact CG2-CE2 4.17Å; I468-I528 HydrophobicContact CD1-CD1 4.29Å; I468-I528 HydrophobicContact CD1-CG1 4.37Å; I468-I528 HydrophobicContact CD1-CG2 3.67Å; I468-I528 HydrophobicContact CG1-CG2 4.26Å; I468-L529 PolarHBondContact N-O 2.87Å; I468-F530 HydrophobicContact CB-CD1 3.76Å; I468-F530 HydrophobicContact CB-CE1 4.15Å; I468-F530 HydrophobicContact CD1-CD1 4.05Å; I468-F530 HydrophobicContact CD1-CE1 3.63Å; I468-F530 HydrophobicContact CG1-CD1 4.44Å; I468-F530 HydrophobicContact CG1-CE1 4.47Å; I468-F530 HydrophobicContact CG2-CD1 3.77Å; I468-F530 HydrophobicContact CG2-CE1 3.93Å; I468-A531 PolarHBondContact O-N 2.95Å; I468-F552 HydrophobicContact CB-CB 4.27Å; I468-F552 HydrophobicContact CG1-CB 4.13Å; I468-F552 HydrophobicContact CG1-CD2 4.05Å; I468-F552 HydrophobicContact CG1-CG 4.4Å; I468-F552 HydrophobicContact CG2-CB 4.02Å; I468-L554 HydrophobicContact CG2-CD1 3.43Å; I468-L554 VanDerWaalsContact CG2-CD1 3.43Å; I468-L554 HydrophobicContact CG2-CG 3.98Å |
| 469 | F | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.7 | -174.1 | -68 | -82.4 | 0 | 0 | 0 | 113.2 | L467 A531 M533 V537 V551 F552 I553 L554 A615 R618 | L467-F469 HydrophobicContact CB-CD2 4.39Å; L467-F469 HydrophobicContact CB-CE2 3.86Å; L467-F469 HydrophobicContact CB-CZ 4.48Å; L467-F469 HydrophobicContact CD1-CE2 4.21Å; L467-F469 HydrophobicContact CD1-CZ 4.43Å; F469-A531 CarbonylContact C-O 3.59Å; F469-A531 WeakPolarHBondContact CA-O 3.28Å; F469-A531 HydrophobicContact CD1-CB 3.62Å; F469-A531 HydrophobicContact CE1-CB 3.73Å; F469-A531 HydrophobicContact CG-CB 4.39Å; F469-M533 HydrophobicContact CB-CG 3.7Å; F469-M533 HydrophobicContact CD1-CG 4.48Å; F469-M533 HydrophobicContact CG-CG 4.36Å; F469-V537 HydrophobicContact CE1-CB 4.01Å; F469-V537 HydrophobicContact CE1-CG1 3.9Å; F469-V537 HydrophobicContact CZ-CG1 3.94Å; F469-V551 HydrophobicContact CD2-CG1 3.94Å; F469-V551 HydrophobicContact CE2-CG1 4.14Å; F469-F552 PolarHBondContact N-O 3.47Å; F469-I553 HydrophobicContact CB-CD1 4.11Å; F469-I553 HydrophobicContact CD2-CD1 4.11Å; F469-I553 HydrophobicContact CG-CD1 4.48Å; F469-L554 PolarHBondContact O-N 3.27Å; F469-A615 HydrophobicContact CD1-CB 4.21Å; F469-A615 HydrophobicContact CD2-CB 4Å; F469-A615 HydrophobicContact CE1-CB 4.29Å; F469-A615 HydrophobicContact CE2-CB 4.08Å; F469-A615 HydrophobicContact CG-CB 4.06Å; F469-A615 HydrophobicContact CZ-CB 4.22Å; F469-R618 HydrophobicContact CZ-CG 4.47Å |
| 470 | F | 97 | Very high | 95 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 149.5 | 173.1 | -67.1 | -95.4 | 0 | 0 | 0 | 112.4 | I468 S472 F475 M476 C479 W483 F530 A531 V532 M533 L554 | I468-F470 HydrophobicContact CG2-CE2 4.17Å; F470-S472 PolarHBondContact O-N 2.82Å; F470-F475 HydrophobicContact CB-CD1 4.44Å; F470-F475 AromaticContact CD1-CD1 3.95Å; F470-F475 HydrophobicContact CD1-CD1 3.95Å; F470-F475 HydrophobicContact CD1-CE1 4.04Å; F470-M476 HydrophobicContact CB-CB 3.94Å; F470-M476 HydrophobicContact CD1-CB 4.25Å; F470-M476 HydrophobicContact CD2-CB 3.69Å; F470-M476 HydrophobicContact CD2-CG 3.5Å; F470-M476 VanDerWaalsContact CD2-CG 3.5Å; F470-M476 HydrophobicContact CD2-SD 3.9Å; F470-M476 HydrophobicContact CE2-CB 4.19Å; F470-M476 HydrophobicContact CE2-CG 3.66Å; F470-M476 HydrophobicContact CE2-SD 4.3Å; F470-M476 HydrophobicContact CG-CB 3.71Å; F470-M476 HydrophobicContact CG-CG 4.07Å; F470-M476 HydrophobicContact CZ-CG 4.35Å; F470-C479 HydrophobicContact CE1-CB 3.93Å; F470-C479 HydrophobicContact CZ-CB 4.39Å; F470-W483 HydrophobicContact CE1-CH2 4.15Å; F470-W483 AromaticContact CZ-CH2 3.79Å; F470-W483 HydrophobicContact CZ-CH2 3.79Å; F470-W483 AromaticContact CZ-CZ3 3.87Å; F470-W483 HydrophobicContact CZ-CZ3 3.87Å; F470-F530 HydrophobicContact CE2-CB 4.29Å; F470-F530 AromaticContact CE2-CD1 3.64Å; F470-F530 HydrophobicContact CE2-CD1 3.64Å; F470-F530 HydrophobicContact CE2-CE1 4.29Å; F470-F530 HydrophobicContact CE2-CG 4.23Å; F470-F530 HydrophobicContact CZ-CD1 4.21Å; F470-F530 HydrophobicContact CZ-CE1 4.43Å; F470-A531 PolarHBondContact N-O 3.15Å; F470-V532 WeakPolarHBondContact O-CA 3.36Å; F470-M533 PolarHBondContact O-N 3.47Å; F470-L554 HydrophobicContact CD1-CB 4.43Å; F470-L554 HydrophobicContact CD1-CD1 4.13Å; F470-L554 HydrophobicContact CE1-CD1 3.71Å; F470-L554 HydrophobicContact CE2-CD1 4.26Å; F470-L554 HydrophobicContact CZ-CD1 3.79Å |
| 471 | P | 95.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 18% | 0.175 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -54.8 | -22.7 | 168.8 | -34.1 | 36.6 | 0 | 0 | 0 | 117.4 | F475 M533 L554 | P471-F475 HydrophobicContact CB-CD1 4.34Å; P471-F475 HydrophobicContact CG-CD1 4.2Å; P471-F475 HydrophobicContact CG-CE1 4.25Å; P471-M533 HydrophobicContact CG-CE 3.88Å; P471-L554 WeakPolarHBondContact CD-O 3.38Å; P471-L554 WeakPolarHBondContact CG-O 3.35Å |
| 472 | S | 93.4 | Very high | 95.4 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 25% | 0.252 | 14% | 0.135 | S | C | . | . | trans | -165 | 156.6 | 176.4 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | F470 S474 F475 M476 | F470-S472 PolarHBondContact O-N 2.82Å; S472-S474 PolarHBondContact O-N 3.38Å; S472-F475 PolarHBondContact O-N 2.94Å; S472-F475 WeakPolarHBondContact OG-CB 3.27Å; S472-F475 PolarHBondContact OG-N 3.49Å; S472-M476 PolarHBondContact O-N 2.93Å | ||
| 473 | Y | 93.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.2 | -33.6 | 172.5 | -70 | -80 | 0 | 0 | 0 | 113.3 | M476 S477 E501 R503 V532 | Y473-M476 HydrophobicContact CD1-CE 3.83Å; Y473-M476 HydrophobicContact CE1-CE 4.36Å; Y473-S477 WeakPolarHBondContact O-CB 3.3Å; Y473-S477 PolarHBondContact O-N 2.94Å; Y473-S477 PolarHBondContact O-OG 3.48Å; Y473-E501 HydrophobicContact CE1-CG 4.09Å; Y473-E501 PolarHBondContact OH-OE1 3.16Å; Y473-R503 HydrophobicContact CD1-CG 3.77Å; Y473-R503 HydrophobicContact CD2-CG 4.43Å; Y473-R503 HydrophobicContact CE1-CG 3.89Å; Y473-R503 HydrophobicContact CE2-CG 4.5Å; Y473-R503 HydrophobicContact CG-CG 4.08Å; Y473-V532 HydrophobicContact CD1-CB 4.47Å; Y473-V532 HydrophobicContact CD1-CG2 3.6Å; Y473-V532 HydrophobicContact CD2-CB 4.42Å; Y473-V532 HydrophobicContact CD2-CG1 4.2Å; Y473-V532 HydrophobicContact CD2-CG2 4.14Å; Y473-V532 HydrophobicContact CE1-CB 4.31Å; Y473-V532 HydrophobicContact CE1-CG2 3.82Å; Y473-V532 HydrophobicContact CE2-CB 4.29Å; Y473-V532 HydrophobicContact CE2-CG1 4.27Å; Y473-V532 HydrophobicContact CE2-CG2 4.35Å; Y473-V532 HydrophobicContact CG-CG2 3.76Å |
| 474 | S | 92.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 28.4 Ų | 28.4 | 43% | 0.427 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 179.4 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | S472 S477 Q478 | S472-S474 PolarHBondContact O-N 3.38Å; S474-S477 PolarHBondContact O-N 3.47Å; S474-Q478 VanDerWaalsContact O-CG 3.31Å; S474-Q478 WeakPolarHBondContact O-CG 3.39Å; S474-Q478 PolarHBondContact O-N 2.96Å |
| 475 | F | 94.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.2 | -38.1 | 179 | 177.3 | -135 | 0 | 0 | 0 | 111.7 | A437 R442 Y447 F470 P471 S472 Q478 C479 | A437-F475 HydrophobicContact CB-CE1 4.33Å; A437-F475 HydrophobicContact CB-CZ 4.36Å; R442-F475 HydrophobicContact CB-CD2 4.44Å; R442-F475 HydrophobicContact CB-CE2 3.74Å; R442-F475 HydrophobicContact CB-CZ 4.13Å; R442-F475 HydrophobicContact CG-CD2 4.37Å; R442-F475 HydrophobicContact CG-CE2 4.16Å; Y447-F475 AromaticContact CE1-CE2 3.99Å; Y447-F475 HydrophobicContact CE1-CE2 3.99Å; Y447-F475 AromaticContact CE1-CZ 3.73Å; Y447-F475 HydrophobicContact CE1-CZ 3.73Å; F470-F475 HydrophobicContact CB-CD1 4.44Å; F470-F475 AromaticContact CD1-CD1 3.95Å; F470-F475 HydrophobicContact CD1-CD1 3.95Å; F470-F475 HydrophobicContact CD1-CE1 4.04Å; P471-F475 HydrophobicContact CB-CD1 4.34Å; P471-F475 HydrophobicContact CG-CD1 4.2Å; P471-F475 HydrophobicContact CG-CE1 4.25Å; S472-F475 PolarHBondContact O-N 2.94Å; S472-F475 WeakPolarHBondContact OG-CB 3.27Å; S472-F475 PolarHBondContact OG-N 3.49Å; F475-Q478 PolarHBondContact O-N 2.87Å; F475-C479 WeakPolarHBondContact CE2-SG 3.39Å; F475-C479 PolarHBondContact O-N 3.49Å; F475-C479 PolarHBondContact O-SG 3.25Å |
| 476 | M | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 171.2 | -177.4 | 172.8 | 76.9 | 0 | 0 | 112 | F470 S472 Y473 C479 I480 I500 F530 V532 | F470-M476 HydrophobicContact CB-CB 3.94Å; F470-M476 HydrophobicContact CD1-CB 4.25Å; F470-M476 HydrophobicContact CD2-CB 3.69Å; F470-M476 HydrophobicContact CD2-CG 3.5Å; F470-M476 VanDerWaalsContact CD2-CG 3.5Å; F470-M476 HydrophobicContact CD2-SD 3.9Å; F470-M476 HydrophobicContact CE2-CB 4.19Å; F470-M476 HydrophobicContact CE2-CG 3.66Å; F470-M476 HydrophobicContact CE2-SD 4.3Å; F470-M476 HydrophobicContact CG-CB 3.71Å; F470-M476 HydrophobicContact CG-CG 4.07Å; F470-M476 HydrophobicContact CZ-CG 4.35Å; S472-M476 PolarHBondContact O-N 2.93Å; Y473-M476 HydrophobicContact CD1-CE 3.83Å; Y473-M476 HydrophobicContact CE1-CE 4.36Å; M476-C479 PolarHBondContact O-N 3.22Å; M476-I480 HydrophobicContact CG-CD1 3.69Å; M476-I480 WeakPolarHBondContact O-CB 3.23Å; M476-I480 VanDerWaalsContact O-CG1 3.32Å; M476-I480 WeakPolarHBondContact O-CG1 3.31Å; M476-I480 PolarHBondContact O-N 3.42Å; M476-I500 HydrophobicContact CE-CG2 3.78Å; M476-I500 HydrophobicContact SD-CG2 4.37Å; M476-F530 HydrophobicContact SD-CB 4.01Å; M476-V532 HydrophobicContact CE-CG2 4.02Å; M476-V532 HydrophobicContact SD-CG2 4Å |
| 477 | S | 95.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.2 | -51.8 | 176.9 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | Y473 S474 C479 I480 E481 | Y473-S477 WeakPolarHBondContact O-CB 3.3Å; Y473-S477 PolarHBondContact O-N 2.94Å; Y473-S477 PolarHBondContact O-OG 3.48Å; S474-S477 PolarHBondContact O-N 3.47Å; S477-C479 VanDerWaalsContact C-N 3.32Å; S477-C479 PolarHBondContact O-N 3.03Å; S477-I480 PolarHBondContact O-N 3.49Å; S477-I480 VanDerWaalsContact O-N 3.16Å; S477-E481 WeakPolarHBondContact O-CB 3.27Å; S477-E481 VanDerWaalsContact O-CG 3.29Å; S477-E481 WeakPolarHBondContact O-CG 3.24Å; S477-E481 PolarHBondContact O-N 2.87Å |
| 478 | Q | 94.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | -178.8 | -74.1 | 175.9 | -5.2 | 0 | 0 | 114 | S474 F475 Y482 | S474-Q478 VanDerWaalsContact O-CG 3.31Å; S474-Q478 WeakPolarHBondContact O-CG 3.39Å; S474-Q478 PolarHBondContact O-N 2.96Å; F475-Q478 PolarHBondContact O-N 2.87Å; Q478-Y482 WeakPolarHBondContact O-CB 3.48Å; Q478-Y482 PolarHBondContact O-N 3.01Å; Q478-Y482 VanDerWaalsContact O-N 3.16Å |
| 479 | C | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.3 | -44.2 | 175.1 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | F470 F475 M476 S477 E481 Y482 W483 | F470-C479 HydrophobicContact CE1-CB 3.93Å; F470-C479 HydrophobicContact CZ-CB 4.39Å; F475-C479 WeakPolarHBondContact CE2-SG 3.39Å; F475-C479 PolarHBondContact O-N 3.49Å; F475-C479 PolarHBondContact O-SG 3.25Å; M476-C479 PolarHBondContact O-N 3.22Å; S477-C479 VanDerWaalsContact C-N 3.32Å; S477-C479 PolarHBondContact O-N 3.03Å; C479-E481 PolarHBondContact O-N 2.89Å; C479-Y482 PolarHBondContact O-N 3.46Å; C479-W483 HydrophobicContact CB-CD2 4.43Å; C479-W483 HydrophobicContact CB-CE3 4.39Å; C479-W483 HydrophobicContact CB-CH2 3.96Å; C479-W483 HydrophobicContact CB-CZ2 3.99Å; C479-W483 HydrophobicContact CB-CZ3 4.17Å; C479-W483 WeakPolarHBondContact O-CB 3.36Å; C479-W483 PolarHBondContact O-N 2.77Å |
| 480 | I | 96.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 179.3 | -68.5 | 172 | 0 | 0 | 0 | 111.9 | M476 S477 W483 K484 Y489 I500 F530 | M476-I480 HydrophobicContact CG-CD1 3.69Å; M476-I480 WeakPolarHBondContact O-CB 3.23Å; M476-I480 VanDerWaalsContact O-CG1 3.32Å; M476-I480 WeakPolarHBondContact O-CG1 3.31Å; M476-I480 PolarHBondContact O-N 3.42Å; S477-I480 PolarHBondContact O-N 3.49Å; S477-I480 VanDerWaalsContact O-N 3.16Å; I480-W483 HydrophobicContact CG1-CE3 4.25Å; I480-W483 HydrophobicContact CG1-CZ3 4.36Å; I480-K484 HydrophobicContact CG2-CD 4.14Å; I480-K484 WeakPolarHBondContact O-CB 3.43Å; I480-K484 VanDerWaalsContact O-CG 3.26Å; I480-K484 WeakPolarHBondContact O-CG 3.44Å; I480-K484 PolarHBondContact O-N 2.92Å; I480-K484 VanDerWaalsContact O-N 3.11Å; I480-Y489 HydrophobicContact CG2-CD2 4.16Å; I480-Y489 HydrophobicContact CG2-CE2 3.93Å; I480-I500 HydrophobicContact CD1-CD1 3.99Å; I480-I500 HydrophobicContact CD1-CG1 4.16Å; I480-I500 HydrophobicContact CD1-CG2 4.3Å; I480-I500 HydrophobicContact CG2-CD1 4.22Å; I480-F530 HydrophobicContact CD1-CB 4.08Å; I480-F530 HydrophobicContact CD1-CD2 3.65Å; I480-F530 HydrophobicContact CD1-CE2 4.23Å; I480-F530 HydrophobicContact CD1-CG 3.97Å; I480-F530 HydrophobicContact CG1-CD2 4.16Å; I480-F530 HydrophobicContact CG1-CE2 4.25Å |
| 481 | E | 96.2 | Very high | 95.3 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 52% | 0.523 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -54.8 | 172.5 | -74.3 | 156.4 | -169.9 | 0 | 0 | 110.3 | S477 C479 W483 K484 D485 | S477-E481 WeakPolarHBondContact O-CB 3.27Å; S477-E481 VanDerWaalsContact O-CG 3.29Å; S477-E481 WeakPolarHBondContact O-CG 3.24Å; S477-E481 PolarHBondContact O-N 2.87Å; C479-E481 PolarHBondContact O-N 2.89Å; E481-W483 VanDerWaalsContact C-N 3.27Å; E481-W483 PolarHBondContact O-N 3.32Å; E481-K484 WeakPolarHBondContact O-CB 3.17Å; E481-K484 PolarHBondContact O-N 3.44Å; E481-D485 PolarHBondContact O-N 3.31Å |
| 482 | Y | 96.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 29% | 0.29 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.1 | -37.2 | 177.1 | -178.9 | -93.2 | 0 | 0 | 0 | 113.3 | S445 R448 N449 Q478 C479 K484 G486 | S445-Y482 VanDerWaalsContact CB-OH 3.3Å; S445-Y482 WeakPolarHBondContact CB-OH 3.38Å; S445-Y482 PolarHBondContact O-OH 2.99Å; R448-Y482 HydrophobicContact CB-CD1 3.47Å; R448-Y482 VanDerWaalsContact CB-CD1 3.47Å; R448-Y482 HydrophobicContact CB-CE1 3.65Å; R448-Y482 HydrophobicContact CB-CG 4.1Å; R448-Y482 HydrophobicContact CG-CD1 4.43Å; N449-Y482 HydrophobicContact CB-CE1 4.4Å; Q478-Y482 WeakPolarHBondContact O-CB 3.48Å; Q478-Y482 PolarHBondContact O-N 3.01Å; Q478-Y482 VanDerWaalsContact O-N 3.16Å; C479-Y482 PolarHBondContact O-N 3.46Å; Y482-K484 VanDerWaalsContact C-N 3.34Å; Y482-G486 PolarHBondContact O-N 3.04Å |
| 483 | W | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.4 | -20.3 | 176.9 | -64.1 | -27.8 | 0 | 0 | 0 | 114.2 | R448 L451 L455 F470 C479 I480 E481 G486 V488 Y489 F530 | R448-W483 PolarHBondContact O-NE1 3.34Å; L451-W483 HydrophobicContact CB-CZ2 4.43Å; L451-W483 HydrophobicContact CD2-CH2 4.3Å; L451-W483 HydrophobicContact CD2-CZ2 3.91Å; L451-W483 HydrophobicContact CG-CH2 4.43Å; L451-W483 HydrophobicContact CG-CZ2 3.92Å; L455-W483 HydrophobicContact CD1-CH2 3.49Å; L455-W483 VanDerWaalsContact CD1-CH2 3.49Å; L455-W483 HydrophobicContact CD1-CZ2 4.13Å; L455-W483 HydrophobicContact CD1-CZ3 4.02Å; F470-W483 HydrophobicContact CE1-CH2 4.15Å; F470-W483 AromaticContact CZ-CH2 3.79Å; F470-W483 HydrophobicContact CZ-CH2 3.79Å; F470-W483 AromaticContact CZ-CZ3 3.87Å; F470-W483 HydrophobicContact CZ-CZ3 3.87Å; C479-W483 HydrophobicContact CB-CD2 4.43Å; C479-W483 HydrophobicContact CB-CE3 4.39Å; C479-W483 HydrophobicContact CB-CH2 3.96Å; C479-W483 HydrophobicContact CB-CZ2 3.99Å; C479-W483 HydrophobicContact CB-CZ3 4.17Å; C479-W483 WeakPolarHBondContact O-CB 3.36Å; C479-W483 PolarHBondContact O-N 2.77Å; I480-W483 HydrophobicContact CG1-CE3 4.25Å; I480-W483 HydrophobicContact CG1-CZ3 4.36Å; E481-W483 VanDerWaalsContact C-N 3.27Å; E481-W483 PolarHBondContact O-N 3.32Å; W483-G486 CarbonylContact O-C 3.56Å; W483-G486 VanDerWaalsContact O-O 3.06Å; W483-V488 HydrophobicContact CB-CB 3.94Å; W483-V488 HydrophobicContact CB-CG1 3.9Å; W483-V488 HydrophobicContact CD2-CG1 4.09Å; W483-V488 HydrophobicContact CG-CB 4.01Å; W483-V488 HydrophobicContact CG-CG1 3.57Å; W483-Y489 WeakPolarHBondContact O-CB 3.17Å; W483-Y489 PolarHBondContact O-N 2.68Å; W483-F530 HydrophobicContact CE3-CZ 4.28Å; W483-F530 AromaticContact CZ3-CE1 3.92Å; W483-F530 HydrophobicContact CZ3-CE1 3.92Å; W483-F530 AromaticContact CZ3-CZ 3.82Å; W483-F530 HydrophobicContact CZ3-CZ 3.82Å |
| 484 | K | 96.5 | Very high | 95.5 | Very high | 112 Ų | 112 | 56.2 Ų | 56.2 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -86.7 | -29.4 | 174.8 | -77.6 | 173.6 | 176.6 | -176.3 | 0 | 113 | I480 E481 Y482 G486 Y489 | I480-K484 HydrophobicContact CG2-CD 4.14Å; I480-K484 WeakPolarHBondContact O-CB 3.43Å; I480-K484 VanDerWaalsContact O-CG 3.26Å; I480-K484 WeakPolarHBondContact O-CG 3.44Å; I480-K484 PolarHBondContact O-N 2.92Å; I480-K484 VanDerWaalsContact O-N 3.11Å; E481-K484 WeakPolarHBondContact O-CB 3.17Å; E481-K484 PolarHBondContact O-N 3.44Å; Y482-K484 VanDerWaalsContact C-N 3.34Å; K484-G486 VanDerWaalsContact C-N 3.27Å; K484-G486 CarbonylContact C-O 3.58Å; K484-Y489 VanDerWaalsContact CE-CZ 3.48Å; K484-Y489 HydrophobicContact CG-CD1 3.8Å; K484-Y489 HydrophobicContact CG-CD2 3.92Å; K484-Y489 HydrophobicContact CG-CE1 4.35Å; K484-Y489 HydrophobicContact CG-CE2 4.46Å; K484-Y489 HydrophobicContact CG-CG 3.56Å |
| 485 | D | 95 | Very high | 95.5 | Very high | 149 Ų | 149 | 54.1 Ų | 54.1 | 80% | 0.797 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -72.6 | -25.5 | 171 | -66 | -19.9 | 0 | 0 | 0 | 111.5 | E481 | E481-D485 PolarHBondContact O-N 3.31Å |
| 486 | G | 92.9 | Very high | 95.5 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -98.9 | -169.7 | 167 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y482 W483 K484 | Y482-G486 PolarHBondContact O-N 3.04Å; W483-G486 CarbonylContact O-C 3.56Å; W483-G486 VanDerWaalsContact O-O 3.06Å; K484-G486 VanDerWaalsContact C-N 3.27Å; K484-G486 CarbonylContact C-O 3.58Å |
| 487 | D | 93.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -91.9 | -2.3 | -179.2 | 69.8 | 10.7 | 0 | 0 | 0 | 114.4 | E490 K491 | D487-E490 PolarHBondContact O-N 3.19Å; D487-K491 WeakPolarHBondContact O-CG 3.44Å; D487-K491 PolarHBondContact O-N 3.34Å; D487-K491 WeakPolarHBondContact OD1-CE 3.34Å; D487-K491 IonicContact OD1-NZ 3.09Å; D487-K491 PolarHBondContact OD1-NZ 2.91Å; D487-K491 WeakPolarHBondContact OD2-CE 3.38Å; D487-K491 IonicContact OD2-NZ 3.85Å; D487-K491 PolarHBondContact OD2-NZ 2.97Å |
| 488 | V | 96 | Very high | 95.6 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | -173.7 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | I456 W483 E490 K491 L492 | I456-V488 HydrophobicContact CD1-CB 4.45Å; I456-V488 HydrophobicContact CD1-CG1 4.1Å; I456-V488 HydrophobicContact CD1-CG2 4.41Å; W483-V488 HydrophobicContact CB-CB 3.94Å; W483-V488 HydrophobicContact CB-CG1 3.9Å; W483-V488 HydrophobicContact CD2-CG1 4.09Å; W483-V488 HydrophobicContact CG-CB 4.01Å; W483-V488 HydrophobicContact CG-CG1 3.57Å; V488-E490 VanDerWaalsContact C-N 3.3Å; V488-E490 PolarHBondContact O-N 2.91Å; V488-K491 PolarHBondContact O-N 2.96Å; V488-L492 HydrophobicContact CG1-CD1 3.96Å; V488-L492 PolarHBondContact O-N 2.68Å |
| 489 | Y | 96.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -34.6 | 180 | -171.6 | -88.4 | 0 | 0 | 0 | 111.3 | I480 W483 K484 S493 I498 F530 | I480-Y489 HydrophobicContact CG2-CD2 4.16Å; I480-Y489 HydrophobicContact CG2-CE2 3.93Å; W483-Y489 WeakPolarHBondContact O-CB 3.17Å; W483-Y489 PolarHBondContact O-N 2.68Å; K484-Y489 VanDerWaalsContact CE-CZ 3.48Å; K484-Y489 HydrophobicContact CG-CD1 3.8Å; K484-Y489 HydrophobicContact CG-CD2 3.92Å; K484-Y489 HydrophobicContact CG-CE1 4.35Å; K484-Y489 HydrophobicContact CG-CE2 4.46Å; K484-Y489 HydrophobicContact CG-CG 3.56Å; Y489-S493 VanDerWaalsContact O-CB 3.31Å; Y489-S493 WeakPolarHBondContact O-CB 3.48Å; Y489-S493 PolarHBondContact O-N 3.05Å; Y489-S493 PolarHBondContact O-OG 3.08Å; Y489-I498 HydrophobicContact CD2-CD1 4.06Å; Y489-I498 HydrophobicContact CE1-CD1 4.29Å; Y489-I498 HydrophobicContact CE2-CD1 3.76Å; Y489-I498 HydrophobicContact CE2-CG2 4.08Å; Y489-I498 HydrophobicContact CG-CD1 4.43Å; Y489-F530 HydrophobicContact CE2-CE2 4.3Å |
| 490 | E | 95.9 | Very high | 95.7 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.5 | -45.4 | 176.2 | -153 | -149.6 | 156.1 | 0 | 0 | 111.2 | D487 V488 S493 R494 | D487-E490 PolarHBondContact O-N 3.19Å; V488-E490 VanDerWaalsContact C-N 3.3Å; V488-E490 PolarHBondContact O-N 2.91Å; E490-S493 WeakPolarHBondContact O-CB 3.42Å; E490-S493 PolarHBondContact O-N 2.83Å; E490-S493 VanDerWaalsContact O-N 3.13Å; E490-R494 WeakPolarHBondContact O-CG 3.45Å; E490-R494 PolarHBondContact O-N 3.02Å; E490-R494 IonicContact OE1-CZ 2.69Å; E490-R494 VanDerWaalsContact OE1-CZ 3.28Å; E490-R494 IonicContact OE1-NE 3.3Å; E490-R494 PolarHBondContact OE1-NE 3.33Å; E490-R494 VanDerWaalsContact OE1-NE 3.14Å; E490-R494 IonicContact OE1-NH2 2.99Å; E490-R494 PolarHBondContact OE1-NH2 3.47Å; E490-R494 IonicContact OE2-CZ 2.81Å; E490-R494 IonicContact OE2-NH2 3.74Å; E490-R494 PolarHBondContact OE2-NH2 2.88Å; E490-R494 VanDerWaalsContact OE2-NH2 3.09Å |
| 491 | K | 96.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 32% | 0.317 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.1 | -52.2 | 174.3 | -72 | 167.4 | -176.9 | 163.5 | 0 | 111.4 | I456 D487 V488 S493 R494 S495 | I456-K491 HydrophobicContact CD1-CB 3.77Å; I456-K491 HydrophobicContact CD1-CD 3.8Å; I456-K491 HydrophobicContact CD1-CG 4.44Å; I456-K491 HydrophobicContact CG1-CB 4.05Å; I456-K491 HydrophobicContact CG2-CB 4.5Å; D487-K491 WeakPolarHBondContact O-CG 3.44Å; D487-K491 PolarHBondContact O-N 3.34Å; D487-K491 WeakPolarHBondContact OD1-CE 3.34Å; D487-K491 IonicContact OD1-NZ 3.09Å; D487-K491 PolarHBondContact OD1-NZ 2.91Å; D487-K491 WeakPolarHBondContact OD2-CE 3.38Å; D487-K491 IonicContact OD2-NZ 3.85Å; D487-K491 PolarHBondContact OD2-NZ 2.97Å; V488-K491 PolarHBondContact O-N 2.96Å; K491-S493 VanDerWaalsContact C-N 3.26Å; K491-S493 PolarHBondContact O-N 3.28Å; K491-R494 WeakPolarHBondContact O-CB 3.48Å; K491-R494 PolarHBondContact O-N 3Å; K491-S495 PolarHBondContact O-N 3.38Å; K491-S495 VanDerWaalsContact O-N 3.1Å; K491-S495 PolarHBondContact O-OG 3.03Å |
| 492 | L | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -34.9 | 175.5 | -90.2 | 152.3 | 0 | 0 | 0 | 113.2 | L455 I456 A459 V488 R494 S495 K496 I498 I528 | L455-L492 HydrophobicContact CB-CD1 4.03Å; L455-L492 HydrophobicContact CB-CD2 4.17Å; I456-L492 HydrophobicContact CG1-CD1 4.08Å; I456-L492 HydrophobicContact CG1-CG 3.76Å; A459-L492 HydrophobicContact CB-CD2 3.93Å; V488-L492 HydrophobicContact CG1-CD1 3.96Å; V488-L492 PolarHBondContact O-N 2.68Å; L492-R494 VanDerWaalsContact C-N 3.32Å; L492-S495 WeakPolarHBondContact O-CB 3.3Å; L492-S495 PolarHBondContact O-N 3.26Å; L492-K496 PolarHBondContact O-N 2.7Å; L492-K496 VanDerWaalsContact O-O 3.11Å; L492-I498 HydrophobicContact CB-CD1 3.92Å; L492-I528 HydrophobicContact CD2-CD1 3.57Å |
| 493 | S | 95.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.5 | -24.4 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | Y489 E490 K491 K496 I498 | Y489-S493 VanDerWaalsContact O-CB 3.31Å; Y489-S493 WeakPolarHBondContact O-CB 3.48Å; Y489-S493 PolarHBondContact O-N 3.05Å; Y489-S493 PolarHBondContact O-OG 3.08Å; E490-S493 WeakPolarHBondContact O-CB 3.42Å; E490-S493 PolarHBondContact O-N 2.83Å; E490-S493 VanDerWaalsContact O-N 3.13Å; K491-S493 VanDerWaalsContact C-N 3.26Å; K491-S493 PolarHBondContact O-N 3.28Å; S493-K496 WeakPolarHBondContact CA-O 3.32Å; S493-I498 VanDerWaalsContact OG-CD1 3.31Å; S493-I498 WeakPolarHBondContact OG-CD1 3.38Å |
| 494 | R | 93.8 | Very high | 93.7 | Very high | 167 Ų | 167 | 64.8 Ų | 64.8 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -77.5 | -35.2 | 170.6 | -63.4 | 168.3 | -173.9 | -178.6 | 2.7 | 111 | E490 K491 L492 | E490-R494 WeakPolarHBondContact O-CG 3.45Å; E490-R494 PolarHBondContact O-N 3.02Å; E490-R494 IonicContact OE1-CZ 2.69Å; E490-R494 VanDerWaalsContact OE1-CZ 3.28Å; E490-R494 IonicContact OE1-NE 3.3Å; E490-R494 PolarHBondContact OE1-NE 3.33Å; E490-R494 VanDerWaalsContact OE1-NE 3.14Å; E490-R494 IonicContact OE1-NH2 2.99Å; E490-R494 PolarHBondContact OE1-NH2 3.47Å; E490-R494 IonicContact OE2-CZ 2.81Å; E490-R494 IonicContact OE2-NH2 3.74Å; E490-R494 PolarHBondContact OE2-NH2 2.88Å; E490-R494 VanDerWaalsContact OE2-NH2 3.09Å; K491-R494 WeakPolarHBondContact O-CB 3.48Å; K491-R494 PolarHBondContact O-N 3Å; L492-R494 VanDerWaalsContact C-N 3.32Å |
| 495 | S | 92.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 175.2 | -61 | 0 | 0 | 0 | 0 | 113.4 | D460 K491 L492 V525 | D460-S495 WeakPolarHBondContact OD1-CB 3.47Å; D460-S495 PolarHBondContact OD1-OG 3.42Å; K491-S495 PolarHBondContact O-N 3.38Å; K491-S495 VanDerWaalsContact O-N 3.1Å; K491-S495 PolarHBondContact O-OG 3.03Å; L492-S495 WeakPolarHBondContact O-CB 3.3Å; L492-S495 PolarHBondContact O-N 3.26Å; S495-V525 WeakPolarHBondContact O-CB 3.21Å |
| 496 | K | 95.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -152.2 | 153.1 | -178.1 | -68.9 | -169 | 179.9 | -75.6 | 0 | 112.5 | A459 V462 A464 L466 L492 S493 I498 V525 I528 | A459-K496 WeakPolarHBondContact O-CE 3.23Å; V462-K496 WeakPolarHBondContact O-CE 3.32Å; V462-K496 PolarHBondContact O-NZ 2.98Å; A464-K496 PolarHBondContact O-NZ 2.96Å; L466-K496 HydrophobicContact CB-CD 4.29Å; L492-K496 PolarHBondContact O-N 2.7Å; L492-K496 VanDerWaalsContact O-O 3.11Å; S493-K496 WeakPolarHBondContact CA-O 3.32Å; K496-I498 PolarHBondContact O-N 3.49Å; K496-V525 PolarHBondContact NZ-O 2.8Å; K496-I528 HydrophobicContact CB-CD1 3.88Å; K496-I528 HydrophobicContact CB-CG1 3.77Å; K496-I528 HydrophobicContact CD-CD1 4.26Å; K496-I528 HydrophobicContact CD-CG1 3.79Å; K496-I528 HydrophobicContact CG-CD1 4.45Å; K496-I528 HydrophobicContact CG-CG1 4.31Å |
| 497 | H | 96.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 67.5 Ų | 67.5 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 116.8 | 172.6 | -67.2 | -72.6 | 0 | 0 | 0 | 111.5 | F499 T518 G526 A527 I528 | H497-F499 HydrophobicContact CB-CE2 4Å; H497-F499 WeakPolarHBondContact O-CD2 3.45Å; H497-T518 HydrophobicContact CB-CG2 3.8Å; H497-G526 PolarHBondContact N-O 2.67Å; H497-G526 VanDerWaalsContact N-O 3.15Å; H497-A527 HydrophobicContact CB-CB 4.5Å; H497-A527 CarbonylContact O-C 3.6Å; H497-A527 VanDerWaalsContact O-CA 3.28Å; H497-A527 WeakPolarHBondContact O-CA 3.34Å; H497-I528 PolarHBondContact O-N 3.46Å |
| 498 | I | 97.3 | Very high | 91.1 | Very high | 28 Ų | 28 | 64.1 Ų | 64.1 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.3 | -175.8 | -56.1 | -178.8 | 0 | 0 | 0 | 111.9 | Y489 L492 S493 K496 I500 F530 | Y489-I498 HydrophobicContact CD2-CD1 4.06Å; Y489-I498 HydrophobicContact CE1-CD1 4.29Å; Y489-I498 HydrophobicContact CE2-CD1 3.76Å; Y489-I498 HydrophobicContact CE2-CG2 4.08Å; Y489-I498 HydrophobicContact CG-CD1 4.43Å; L492-I498 HydrophobicContact CB-CD1 3.92Å; S493-I498 VanDerWaalsContact OG-CD1 3.31Å; S493-I498 WeakPolarHBondContact OG-CD1 3.38Å; K496-I498 PolarHBondContact O-N 3.49Å; I498-I500 HydrophobicContact CG2-CG1 4.36Å; I498-F530 HydrophobicContact CD1-CE2 4.19Å; I498-F530 HydrophobicContact CG2-CD2 3.46Å; I498-F530 VanDerWaalsContact CG2-CD2 3.46Å; I498-F530 HydrophobicContact CG2-CE2 3.46Å; I498-F530 VanDerWaalsContact CG2-CE2 3.46Å |
| 499 | F | 97.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151 | 167.6 | -61.6 | -93.8 | 0 | 0 | 0 | 109.9 | H497 I511 E514 Y515 T518 A527 I528 L529 F530 | H497-F499 HydrophobicContact CB-CE2 4Å; H497-F499 WeakPolarHBondContact O-CD2 3.45Å; F499-I511 HydrophobicContact CB-CG2 4.2Å; F499-I511 HydrophobicContact CD1-CG2 4.22Å; F499-E514 HydrophobicContact CD1-CB 4.46Å; F499-E514 HydrophobicContact CE1-CB 3.68Å; F499-E514 HydrophobicContact CZ-CB 4.34Å; F499-Y515 HydrophobicContact CB-CD2 4.48Å; F499-Y515 AromaticContact CD2-CD2 3.85Å; F499-Y515 HydrophobicContact CD2-CD2 3.85Å; F499-Y515 HydrophobicContact CD2-CG 4.39Å; F499-Y515 HydrophobicContact CG-CD2 4.39Å; F499-T518 HydrophobicContact CE2-CG2 4.22Å; F499-T518 HydrophobicContact CZ-CG2 4.49Å; F499-T518 WeakPolarHBondContact CZ-OG1 3.44Å; F499-A527 HydrophobicContact CD2-CB 4.14Å; F499-A527 HydrophobicContact CE2-CB 3.96Å; F499-I528 PolarHBondContact N-O 3.46Å; F499-L529 HydrophobicContact CB-CD1 3.94Å; F499-F530 PolarHBondContact O-N 3.02Å |
| 500 | I | 96.1 | Very high | 90.2 | Very high | 53 Ų | 53 | 72.8 Ų | 72.8 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.7 | -177.1 | -56.8 | 170.6 | 0 | 0 | 0 | 108.9 | M476 I480 I498 P502 F530 | M476-I500 HydrophobicContact CE-CG2 3.78Å; M476-I500 HydrophobicContact SD-CG2 4.37Å; I480-I500 HydrophobicContact CD1-CD1 3.99Å; I480-I500 HydrophobicContact CD1-CG1 4.16Å; I480-I500 HydrophobicContact CD1-CG2 4.3Å; I480-I500 HydrophobicContact CG2-CD1 4.22Å; I498-I500 HydrophobicContact CG2-CG1 4.36Å; I500-P502 VanDerWaalsContact O-CD 3.27Å; I500-P502 WeakPolarHBondContact O-CD 3.36Å; I500-F530 HydrophobicContact CG1-CB 4.4Å; I500-F530 HydrophobicContact CG1-CD2 4.16Å |
| 501 | E | 93.5 | Very high | 90 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | trans | -62.6 | 116.8 | 177.1 | -179 | 179.5 | 168.5 | 0 | 0 | 112.1 | Y473 F508 F530 A531 V532 G535 R536 V537 | Y473-E501 HydrophobicContact CE1-CG 4.09Å; Y473-E501 PolarHBondContact OH-OE1 3.16Å; E501-F508 HydrophobicContact CG-CD2 4.22Å; E501-F508 HydrophobicContact CG-CE2 4.01Å; E501-F530 WeakPolarHBondContact CB-O 3.45Å; E501-F530 PolarHBondContact N-O 3.19Å; E501-A531 WeakPolarHBondContact OE2-CA 3.38Å; E501-V532 PolarHBondContact OE2-N 3.13Å; E501-G535 WeakPolarHBondContact OE1-CA 3.31Å; E501-R536 PolarHBondContact OE1-N 3.08Å; E501-V537 HydrophobicContact CB-CG2 4.26Å; E501-V537 HydrophobicContact CG-CG2 4.06Å | ||
| 502 | P | 89.4 | Confident | 89.7 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | trans | -77.2 | 144 | 173.1 | 33.5 | -37.2 | 0 | 0 | 0 | 111.2 | I500 E504 Q507 F508 I511 | I500-P502 VanDerWaalsContact O-CD 3.27Å; I500-P502 WeakPolarHBondContact O-CD 3.36Å; P502-E504 PolarHBondContact O-N 2.86Å; P502-Q507 HydrophobicContact CB-CB 3.93Å; P502-Q507 HydrophobicContact CG-CB 3.91Å; P502-F508 HydrophobicContact CG-CB 4Å; P502-F508 HydrophobicContact CG-CD2 4.19Å; P502-I511 HydrophobicContact CB-CD1 4.39Å; P502-I511 HydrophobicContact CG-CD1 4.01Å | ||
| 503 | R | 82.8 | Confident | 89.5 | Confident | 159 Ų | 159 | 70.3 Ų | 70.3 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -64.3 | -31.9 | 171.9 | -59.8 | -176.8 | -171.1 | -174.1 | 5.2 | 111.7 | Y473 R536 | Y473-R503 HydrophobicContact CD1-CG 3.77Å; Y473-R503 HydrophobicContact CD2-CG 4.43Å; Y473-R503 HydrophobicContact CE1-CG 3.89Å; Y473-R503 HydrophobicContact CE2-CG 4.5Å; Y473-R503 HydrophobicContact CG-CG 4.08Å; R503-R536 PolarHBondContact O-NE 3.49Å; R503-R536 PolarHBondContact O-NH2 2.92Å |
| 504 | E | 79.1 | Confident | 89.4 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -80.3 | 133 | -176 | -68.5 | 177.4 | -162.2 | 0 | 0 | 113.6 | P502 N506 Q507 F508 | P502-E504 PolarHBondContact O-N 2.86Å; E504-N506 VanDerWaalsContact C-N 3.29Å; E504-N506 PolarHBondContact O-N 2.97Å; E504-Q507 HydrophobicContact CB-CG 4.28Å; E504-Q507 PolarHBondContact O-N 3.47Å; E504-Q507 PolarHBondContact OE2-NE2 3.47Å; E504-F508 PolarHBondContact O-N 3.34Å |
| 505 | K | 76.9 | Confident | 89.5 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 179.5 | -172.5 | 176.5 | -180 | 179.5 | 0 | 112.7 | Q507 F508 | K505-Q507 PolarHBondContact O-N 3.22Å; K505-F508 PolarHBondContact O-N 2.91Å |
| 506 | N | 77.8 | Confident | 89.4 | Confident | 144 Ų | 144 | 66.2 Ų | 66.2 | 77% | 0.77 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -71.1 | -33.7 | -171.4 | -58.7 | -0.1 | 0 | 0 | 0 | 112.3 | E504 | E504-N506 VanDerWaalsContact C-N 3.29Å; E504-N506 PolarHBondContact O-N 2.97Å |
| 507 | Q | 82.8 | Confident | 89.3 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -80.9 | -30 | 177.6 | -54.7 | -170.9 | 31.5 | 0 | 0 | 112 | P502 E504 K505 N509 K510 I511 | P502-Q507 HydrophobicContact CB-CB 3.93Å; P502-Q507 HydrophobicContact CG-CB 3.91Å; E504-Q507 HydrophobicContact CB-CG 4.28Å; E504-Q507 PolarHBondContact O-N 3.47Å; E504-Q507 PolarHBondContact OE2-NE2 3.47Å; K505-Q507 PolarHBondContact O-N 3.22Å; Q507-N509 PolarHBondContact O-N 3.48Å; Q507-K510 PolarHBondContact O-N 2.97Å; Q507-I511 PolarHBondContact O-N 2.73Å |
| 508 | F | 86.2 | Confident | 89.2 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.4 | -52.6 | -171.9 | -176.3 | -96 | 0 | 0 | 0 | 113.6 | E501 P502 E504 K505 K510 I511 F512 R536 V537 L541 | E501-F508 HydrophobicContact CG-CD2 4.22Å; E501-F508 HydrophobicContact CG-CE2 4.01Å; P502-F508 HydrophobicContact CG-CB 4Å; P502-F508 HydrophobicContact CG-CD2 4.19Å; E504-F508 PolarHBondContact O-N 3.34Å; K505-F508 PolarHBondContact O-N 2.91Å; F508-K510 PolarHBondContact O-N 3.05Å; F508-I511 PolarHBondContact O-N 3.49Å; F508-F512 HydrophobicContact CE1-CB 4.13Å; F508-F512 HydrophobicContact CE1-CG 4.37Å; F508-F512 HydrophobicContact CZ-CB 4.2Å; F508-F512 HydrophobicContact CZ-CD2 4.16Å; F508-F512 HydrophobicContact CZ-CG 4.36Å; F508-F512 WeakPolarHBondContact O-CB 3.28Å; F508-F512 PolarHBondContact O-N 3.38Å; F508-R536 HydrophobicContact CD1-CB 4.28Å; F508-R536 HydrophobicContact CD2-CB 3.82Å; F508-R536 VanDerWaalsContact CD2-CD 3.49Å; F508-R536 HydrophobicContact CD2-CG 4.29Å; F508-R536 HydrophobicContact CE1-CB 3.99Å; F508-R536 HydrophobicContact CE2-CB 3.51Å; F508-R536 HydrophobicContact CE2-CG 4.44Å; F508-R536 HydrophobicContact CG-CB 4.21Å; F508-R536 VanDerWaalsContact CG-CD 3.45Å; F508-R536 HydrophobicContact CG-CG 4.5Å; F508-R536 HydrophobicContact CZ-CB 3.6Å; F508-V537 HydrophobicContact CE2-CG2 3.68Å; F508-V537 HydrophobicContact CZ-CG2 3.91Å; F508-L541 HydrophobicContact CE1-CD1 3.51Å; F508-L541 HydrophobicContact CZ-CD1 3.42Å; F508-L541 VanDerWaalsContact CZ-CD1 3.42Å |
| 509 | N | 84.8 | Confident | 89 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -28.8 | -177.2 | -68.8 | 11.7 | 0 | 0 | 0 | 112.7 | Q507 N513 | Q507-N509 PolarHBondContact O-N 3.48Å; N509-N513 WeakPolarHBondContact O-CB 3.11Å; N509-N513 VanDerWaalsContact O-CG 3.31Å; N509-N513 PolarHBondContact O-N 3.39Å; N509-N513 PolarHBondContact O-ND2 3.45Å |
| 510 | K | 89.2 | Confident | 88.6 | Confident | 133 Ų | 133 | 69.1 Ų | 69.1 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.2 | -57.1 | 175.2 | -179 | -174.2 | 168.6 | -174.6 | 0 | 110.1 | Q507 F508 F512 N513 E514 | Q507-K510 PolarHBondContact O-N 2.97Å; F508-K510 PolarHBondContact O-N 3.05Å; K510-F512 VanDerWaalsContact C-N 3.31Å; K510-F512 PolarHBondContact O-N 3.22Å; K510-N513 PolarHBondContact O-N 2.92Å; K510-N513 VanDerWaalsContact O-N 3.14Å; K510-E514 VanDerWaalsContact CE-CD 3.41Å; K510-E514 WeakPolarHBondContact CE-OE1 3.49Å; K510-E514 WeakPolarHBondContact CE-OE2 3.18Å; K510-E514 IonicContact NZ-OE1 3.14Å; K510-E514 WeakPolarHBondContact O-CG 3.44Å; K510-E514 PolarHBondContact O-N 2.93Å |
| 511 | I | 91.5 | Very high | 88.3 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | -176.2 | -69.5 | 177.9 | 0 | 0 | 0 | 111.3 | F499 P502 Q507 F508 E514 Y515 | F499-I511 HydrophobicContact CB-CG2 4.2Å; F499-I511 HydrophobicContact CD1-CG2 4.22Å; P502-I511 HydrophobicContact CB-CD1 4.39Å; P502-I511 HydrophobicContact CG-CD1 4.01Å; Q507-I511 PolarHBondContact O-N 2.73Å; F508-I511 PolarHBondContact O-N 3.49Å; I511-E514 PolarHBondContact O-N 3.14Å; I511-Y515 WeakPolarHBondContact O-CB 3.43Å; I511-Y515 PolarHBondContact O-N 2.94Å |
| 512 | F | 90.2 | Very high | 87.8 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 8% | 0.075 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.8 | -176.1 | -98.5 | 0 | 0 | 0 | 112.7 | F508 K510 Y515 R516 L529 L541 L543 | F508-F512 HydrophobicContact CE1-CB 4.13Å; F508-F512 HydrophobicContact CE1-CG 4.37Å; F508-F512 HydrophobicContact CZ-CB 4.2Å; F508-F512 HydrophobicContact CZ-CD2 4.16Å; F508-F512 HydrophobicContact CZ-CG 4.36Å; F508-F512 WeakPolarHBondContact O-CB 3.28Å; F508-F512 PolarHBondContact O-N 3.38Å; K510-F512 VanDerWaalsContact C-N 3.31Å; K510-F512 PolarHBondContact O-N 3.22Å; F512-Y515 PolarHBondContact O-N 2.94Å; F512-R516 WeakPolarHBondContact O-CB 3.29Å; F512-R516 PolarHBondContact O-N 2.72Å; F512-L529 HydrophobicContact CD2-CD2 4.25Å; F512-L541 HydrophobicContact CD1-CD1 4.47Å; F512-L541 HydrophobicContact CD2-CD1 3.78Å; F512-L541 HydrophobicContact CE1-CD1 4.29Å; F512-L541 HydrophobicContact CE1-CD2 4.19Å; F512-L541 HydrophobicContact CE2-CB 4.27Å; F512-L541 HydrophobicContact CE2-CD1 3.55Å; F512-L541 HydrophobicContact CE2-CG 4.42Å; F512-L541 HydrophobicContact CG-CD1 4.23Å; F512-L541 HydrophobicContact CZ-CB 3.94Å; F512-L541 HydrophobicContact CZ-CD1 3.83Å; F512-L541 HydrophobicContact CZ-CD2 4.31Å; F512-L541 HydrophobicContact CZ-CG 4.25Å; F512-L543 HydrophobicContact CE2-CD1 4.18Å; F512-L543 HydrophobicContact CE2-CD2 3.67Å; F512-L543 HydrophobicContact CE2-CG 4.12Å; F512-L543 HydrophobicContact CZ-CD2 3.51Å; F512-L543 HydrophobicContact CZ-CG 3.97Å |
| 513 | N | 90.3 | Very high | 87.3 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.8 | -32.8 | 176.9 | -79.4 | -41.7 | 0 | 0 | 0 | 112.7 | N509 K510 K517 | N509-N513 WeakPolarHBondContact O-CB 3.11Å; N509-N513 VanDerWaalsContact O-CG 3.31Å; N509-N513 PolarHBondContact O-N 3.39Å; N509-N513 PolarHBondContact O-ND2 3.45Å; K510-N513 PolarHBondContact O-N 2.92Å; K510-N513 VanDerWaalsContact O-N 3.14Å; N513-K517 WeakPolarHBondContact O-CB 3.47Å; N513-K517 VanDerWaalsContact O-CG 3.25Å; N513-K517 WeakPolarHBondContact O-CG 3.31Å; N513-K517 PolarHBondContact O-N 2.9Å; N513-K517 VanDerWaalsContact O-N 3.09Å |
| 514 | E | 93.6 | Very high | 87.5 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 173.7 | -70.3 | 172.5 | 160.7 | 0 | 0 | 111.2 | F499 K510 I511 T518 | F499-E514 HydrophobicContact CD1-CB 4.46Å; F499-E514 HydrophobicContact CE1-CB 3.68Å; F499-E514 HydrophobicContact CZ-CB 4.34Å; K510-E514 VanDerWaalsContact CE-CD 3.41Å; K510-E514 WeakPolarHBondContact CE-OE1 3.49Å; K510-E514 WeakPolarHBondContact CE-OE2 3.18Å; K510-E514 IonicContact NZ-OE1 3.14Å; K510-E514 WeakPolarHBondContact O-CG 3.44Å; K510-E514 PolarHBondContact O-N 2.93Å; I511-E514 PolarHBondContact O-N 3.14Å; E514-T518 WeakPolarHBondContact O-CB 3.28Å; E514-T518 PolarHBondContact O-N 3.3Å; E514-T518 PolarHBondContact O-OG1 3.26Å |
| 515 | Y | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.1 | -54 | 170.1 | 166.3 | -97.1 | 0 | 0 | 0 | 111.6 | G465 L466 L467 F499 I511 F512 K517 T518 A519 A527 L529 L543 A547 | G465-Y515 VanDerWaalsContact CA-OH 3.25Å; G465-Y515 WeakPolarHBondContact CA-OH 3.24Å; L466-Y515 PolarHBondContact N-OH 3.06Å; L467-Y515 HydrophobicContact CD2-CE1 3.99Å; L467-Y515 WeakPolarHBondContact CD2-OH 3.44Å; F499-Y515 HydrophobicContact CB-CD2 4.48Å; F499-Y515 AromaticContact CD2-CD2 3.85Å; F499-Y515 HydrophobicContact CD2-CD2 3.85Å; F499-Y515 HydrophobicContact CD2-CG 4.39Å; F499-Y515 HydrophobicContact CG-CD2 4.39Å; I511-Y515 WeakPolarHBondContact O-CB 3.43Å; I511-Y515 PolarHBondContact O-N 2.94Å; F512-Y515 PolarHBondContact O-N 2.94Å; Y515-K517 VanDerWaalsContact C-N 3.31Å; Y515-K517 PolarHBondContact O-N 2.78Å; Y515-T518 PolarHBondContact O-N 3.2Å; Y515-T518 VanDerWaalsContact O-N 3.09Å; Y515-A519 HydrophobicContact CE1-CB 4.4Å; Y515-A519 HydrophobicContact CE2-CB 4.33Å; Y515-A519 WeakPolarHBondContact O-CB 3.4Å; Y515-A519 PolarHBondContact O-N 3.01Å; Y515-A527 HydrophobicContact CD2-CB 3.64Å; Y515-A527 HydrophobicContact CE2-CB 3.66Å; Y515-L529 HydrophobicContact CD1-CB 4.39Å; Y515-L529 HydrophobicContact CD1-CD2 3.98Å; Y515-L529 HydrophobicContact CD2-CB 3.7Å; Y515-L529 HydrophobicContact CE1-CB 4.38Å; Y515-L529 HydrophobicContact CE1-CD2 4.29Å; Y515-L529 HydrophobicContact CE2-CB 3.66Å; Y515-L529 HydrophobicContact CG-CB 4.08Å; Y515-L529 HydrophobicContact CG-CD2 4.19Å; Y515-L543 HydrophobicContact CE1-CD2 4.05Å; Y515-A547 WeakPolarHBondContact CE1-O 3.47Å; Y515-A547 PolarHBondContact OH-O 3.27Å |
| 516 | R | 92.3 | Very high | 88.9 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 25% | 0.253 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | -175.2 | -161.2 | -170.3 | 77.9 | 151.5 | 7.7 | 111.7 | F512 C520 A547 E724 | F512-R516 WeakPolarHBondContact O-CB 3.29Å; F512-R516 PolarHBondContact O-N 2.72Å; R516-C520 WeakPolarHBondContact O-CB 3.03Å; R516-C520 PolarHBondContact O-N 3.49Å; R516-C520 PolarHBondContact O-SG 2.96Å; R516-C520 VanDerWaalsContact O-SG 3.37Å; R516-A547 HydrophobicContact CG-CB 4.01Å; R516-E724 IonicContact CZ-OE1 3.58Å; R516-E724 IonicContact CZ-OE2 2.71Å; R516-E724 IonicContact NH1-OE1 2.63Å; R516-E724 PolarHBondContact NH1-OE1 3.48Å; R516-E724 IonicContact NH2-OE1 3.31Å; R516-E724 PolarHBondContact NH2-OE1 3.27Å; R516-E724 IonicContact NH2-OE2 3.81Å; R516-E724 PolarHBondContact NH2-OE2 2.82Å |
| 517 | K | 92.5 | Very high | 89.8 | Confident | 142 Ų | 142 | 65 Ų | 65 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.5 | -51.9 | 172.4 | -75.5 | 173.9 | -179.4 | -176.1 | 0 | 111 | N513 Y515 A519 C520 I521 | N513-K517 WeakPolarHBondContact O-CB 3.47Å; N513-K517 VanDerWaalsContact O-CG 3.25Å; N513-K517 WeakPolarHBondContact O-CG 3.31Å; N513-K517 PolarHBondContact O-N 2.9Å; N513-K517 VanDerWaalsContact O-N 3.09Å; Y515-K517 VanDerWaalsContact C-N 3.31Å; Y515-K517 PolarHBondContact O-N 2.78Å; K517-A519 PolarHBondContact O-N 3.3Å; K517-C520 PolarHBondContact O-N 2.88Å; K517-I521 WeakPolarHBondContact O-CG1 3.49Å; K517-I521 PolarHBondContact O-N 3.37Å |
| 518 | T | 94.8 | Very high | 90.5 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 17% | 0.172 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | -176.3 | -50.3 | 0 | 0 | 0 | 0 | 112.6 | H497 F499 E514 Y515 C520 S524 A527 | H497-T518 HydrophobicContact CB-CG2 3.8Å; F499-T518 HydrophobicContact CE2-CG2 4.22Å; F499-T518 HydrophobicContact CZ-CG2 4.49Å; F499-T518 WeakPolarHBondContact CZ-OG1 3.44Å; E514-T518 WeakPolarHBondContact O-CB 3.28Å; E514-T518 PolarHBondContact O-N 3.3Å; E514-T518 PolarHBondContact O-OG1 3.26Å; Y515-T518 PolarHBondContact O-N 3.2Å; Y515-T518 VanDerWaalsContact O-N 3.09Å; T518-C520 VanDerWaalsContact C-N 3.3Å; T518-C520 PolarHBondContact O-N 3.03Å; T518-S524 PolarHBondContact O-OG 3.04Å; T518-A527 HydrophobicContact CG2-CB 4.12Å |
| 519 | A | 93.1 | Very high | 91 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A464 Y515 K517 A527 | A464-A519 WeakPolarHBondContact CB-O 3.43Å; Y515-A519 HydrophobicContact CE1-CB 4.4Å; Y515-A519 HydrophobicContact CE2-CB 4.33Å; Y515-A519 WeakPolarHBondContact O-CB 3.4Å; Y515-A519 PolarHBondContact O-N 3.01Å; K517-A519 PolarHBondContact O-N 3.3Å; A519-A527 HydrophobicContact CB-CB 4.17Å |
| 520 | C | 89.8 | Confident | 91.6 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.9 | -175.3 | -66.2 | 0 | 0 | 0 | 0 | 114.8 | R516 K517 T518 E522 | R516-C520 WeakPolarHBondContact O-CB 3.03Å; R516-C520 PolarHBondContact O-N 3.49Å; R516-C520 PolarHBondContact O-SG 2.96Å; R516-C520 VanDerWaalsContact O-SG 3.37Å; K517-C520 PolarHBondContact O-N 2.88Å; T518-C520 VanDerWaalsContact C-N 3.3Å; T518-C520 PolarHBondContact O-N 3.03Å; C520-E522 PolarHBondContact O-N 3.2Å |
| 521 | I | 89.8 | Confident | 91.9 | Very high | 101 Ų | 101 | 49 Ų | 49 | 52% | 0.518 | 25% | 0.252 | S | S | . | . | trans | -72.7 | 118 | 174.4 | -69.1 | 165.2 | 0 | 0 | 0 | 109.6 | K517 S524 | K517-I521 WeakPolarHBondContact O-CG1 3.49Å; K517-I521 PolarHBondContact O-N 3.37Å; I521-S524 WeakPolarHBondContact O-CB 3.42Å; I521-S524 PolarHBondContact O-N 3.36Å; I521-S524 PolarHBondContact O-OG 3.16Å | ||
| 522 | E | 81 | Confident | 92 | Very high | 141 Ų | 141 | 47.4 Ų | 47.4 | 66% | 0.659 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 138.3 | 170.7 | -71.2 | 179 | -139.8 | 0 | 0 | 111.8 | C520 S524 | C520-E522 PolarHBondContact O-N 3.2Å; E522-S524 PolarHBondContact O-N 3.16Å |
| 523 | N | 80.6 | Confident | 92.1 | Very high | 168 Ų | 168 | 46.9 Ų | 46.9 | 90% | 0.898 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 12.1 | -178.8 | -50.8 | -65.5 | 0 | 0 | 0 | 115.4 | ||
| 524 | S | 86.3 | Confident | 91.9 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.5 | 163.3 | 164.1 | 72.6 | 0 | 0 | 0 | 0 | 111.4 | T518 I521 E522 G526 | T518-S524 PolarHBondContact O-OG 3.04Å; I521-S524 WeakPolarHBondContact O-CB 3.42Å; I521-S524 PolarHBondContact O-N 3.36Å; I521-S524 PolarHBondContact O-OG 3.16Å; E522-S524 PolarHBondContact O-N 3.16Å; S524-G526 PolarHBondContact O-N 2.91Å; S524-G526 PolarHBondContact OG-N 3.48Å; S524-G526 VanDerWaalsContact OG-N 3.14Å |
| 525 | V | 90.2 | Very high | 91.5 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | trans | -65.1 | -14.8 | 167 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | S495 K496 | S495-V525 WeakPolarHBondContact O-CB 3.21Å; K496-V525 PolarHBondContact NZ-O 2.8Å | ||
| 526 | G | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 81.4 | -164.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | A464 H497 S524 | A464-G526 WeakPolarHBondContact O-CA 3.13Å; H497-G526 PolarHBondContact N-O 2.67Å; H497-G526 VanDerWaalsContact N-O 3.15Å; S524-G526 PolarHBondContact O-N 2.91Å; S524-G526 PolarHBondContact OG-N 3.48Å; S524-G526 VanDerWaalsContact OG-N 3.14Å | ||
| 527 | A | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A464 G465 L466 H497 F499 Y515 T518 A519 | A464-A527 PolarHBondContact O-N 3.49Å; G465-A527 WeakPolarHBondContact CA-O 3.33Å; L466-A527 PolarHBondContact N-O 2.86Å; H497-A527 HydrophobicContact CB-CB 4.5Å; H497-A527 CarbonylContact O-C 3.6Å; H497-A527 VanDerWaalsContact O-CA 3.28Å; H497-A527 WeakPolarHBondContact O-CA 3.34Å; F499-A527 HydrophobicContact CD2-CB 4.14Å; F499-A527 HydrophobicContact CE2-CB 3.96Å; Y515-A527 HydrophobicContact CD2-CB 3.64Å; Y515-A527 HydrophobicContact CE2-CB 3.66Å; T518-A527 HydrophobicContact CG2-CB 4.12Å; A519-A527 HydrophobicContact CB-CB 4.17Å |
| 528 | I | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.8 | 170.6 | -75.7 | 171.9 | 0 | 0 | 0 | 108.7 | A459 L466 I468 L492 K496 H497 F499 F530 | A459-I528 HydrophobicContact CB-CD1 4.24Å; L466-I528 HydrophobicContact CB-CG1 4.2Å; L466-I528 HydrophobicContact CD2-CD1 4.39Å; L466-I528 HydrophobicContact CD2-CG1 4.13Å; L466-I528 CarbonylContact O-C 3.56Å; L466-I528 WeakPolarHBondContact O-CA 3.43Å; I468-I528 HydrophobicContact CD1-CD1 4.29Å; I468-I528 HydrophobicContact CD1-CG1 4.37Å; I468-I528 HydrophobicContact CD1-CG2 3.67Å; I468-I528 HydrophobicContact CG1-CG2 4.26Å; L492-I528 HydrophobicContact CD2-CD1 3.57Å; K496-I528 HydrophobicContact CB-CD1 3.88Å; K496-I528 HydrophobicContact CB-CG1 3.77Å; K496-I528 HydrophobicContact CD-CD1 4.26Å; K496-I528 HydrophobicContact CD-CG1 3.79Å; K496-I528 HydrophobicContact CG-CD1 4.45Å; K496-I528 HydrophobicContact CG-CG1 4.31Å; H497-I528 PolarHBondContact O-N 3.46Å; F499-I528 PolarHBondContact N-O 3.46Å; I528-F530 HydrophobicContact CG2-CD1 4.13Å; I528-F530 HydrophobicContact CG2-CD2 4.35Å; I528-F530 HydrophobicContact CG2-CE1 4.13Å; I528-F530 HydrophobicContact CG2-CE2 4.36Å; I528-F530 HydrophobicContact CG2-CG 4.24Å; I528-F530 HydrophobicContact CG2-CZ 4.25Å |
| 529 | L | 96.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 103.7 | 165.5 | -176.8 | 53.8 | 0 | 0 | 0 | 109.8 | L466 L467 I468 F499 F512 Y515 A531 V537 | L466-L529 PolarHBondContact O-N 3.46Å; L467-L529 HydrophobicContact CD2-CB 4.06Å; L467-L529 HydrophobicContact CD2-CD2 4.31Å; I468-L529 PolarHBondContact N-O 2.87Å; F499-L529 HydrophobicContact CB-CD1 3.94Å; F512-L529 HydrophobicContact CD2-CD2 4.25Å; Y515-L529 HydrophobicContact CD1-CB 4.39Å; Y515-L529 HydrophobicContact CD1-CD2 3.98Å; Y515-L529 HydrophobicContact CD2-CB 3.7Å; Y515-L529 HydrophobicContact CE1-CB 4.38Å; Y515-L529 HydrophobicContact CE1-CD2 4.29Å; Y515-L529 HydrophobicContact CE2-CB 3.66Å; Y515-L529 HydrophobicContact CG-CB 4.08Å; Y515-L529 HydrophobicContact CG-CD2 4.19Å; L529-A531 HydrophobicContact CG-CB 4.5Å; L529-A531 PolarHBondContact O-N 3.48Å; L529-V537 HydrophobicContact CD2-CB 4.49Å; L529-V537 HydrophobicContact CD2-CG1 3.7Å; L529-V537 HydrophobicContact CD2-CG2 3.86Å; L529-V537 HydrophobicContact CG-CG1 4.46Å; L529-V537 HydrophobicContact CG-CG2 4.37Å |
| 530 | F | 97.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 118.6 | 166.3 | -70 | -50.8 | 0 | 0 | 0 | 108.9 | L455 I468 F470 M476 I480 W483 Y489 I498 F499 I500 E501 I528 | L455-F530 HydrophobicContact CD1-CE1 4.26Å; I468-F530 HydrophobicContact CB-CD1 3.76Å; I468-F530 HydrophobicContact CB-CE1 4.15Å; I468-F530 HydrophobicContact CD1-CD1 4.05Å; I468-F530 HydrophobicContact CD1-CE1 3.63Å; I468-F530 HydrophobicContact CG1-CD1 4.44Å; I468-F530 HydrophobicContact CG1-CE1 4.47Å; I468-F530 HydrophobicContact CG2-CD1 3.77Å; I468-F530 HydrophobicContact CG2-CE1 3.93Å; F470-F530 HydrophobicContact CE2-CB 4.29Å; F470-F530 AromaticContact CE2-CD1 3.64Å; F470-F530 HydrophobicContact CE2-CD1 3.64Å; F470-F530 HydrophobicContact CE2-CE1 4.29Å; F470-F530 HydrophobicContact CE2-CG 4.23Å; F470-F530 HydrophobicContact CZ-CD1 4.21Å; F470-F530 HydrophobicContact CZ-CE1 4.43Å; M476-F530 HydrophobicContact SD-CB 4.01Å; I480-F530 HydrophobicContact CD1-CB 4.08Å; I480-F530 HydrophobicContact CD1-CD2 3.65Å; I480-F530 HydrophobicContact CD1-CE2 4.23Å; I480-F530 HydrophobicContact CD1-CG 3.97Å; I480-F530 HydrophobicContact CG1-CD2 4.16Å; I480-F530 HydrophobicContact CG1-CE2 4.25Å; W483-F530 HydrophobicContact CE3-CZ 4.28Å; W483-F530 AromaticContact CZ3-CE1 3.92Å; W483-F530 HydrophobicContact CZ3-CE1 3.92Å; W483-F530 AromaticContact CZ3-CZ 3.82Å; W483-F530 HydrophobicContact CZ3-CZ 3.82Å; Y489-F530 HydrophobicContact CE2-CE2 4.3Å; I498-F530 HydrophobicContact CD1-CE2 4.19Å; I498-F530 HydrophobicContact CG2-CD2 3.46Å; I498-F530 VanDerWaalsContact CG2-CD2 3.46Å; I498-F530 HydrophobicContact CG2-CE2 3.46Å; I498-F530 VanDerWaalsContact CG2-CE2 3.46Å; F499-F530 PolarHBondContact O-N 3.02Å; I500-F530 HydrophobicContact CG1-CB 4.4Å; I500-F530 HydrophobicContact CG1-CD2 4.16Å; E501-F530 WeakPolarHBondContact CB-O 3.45Å; E501-F530 PolarHBondContact N-O 3.19Å; I528-F530 HydrophobicContact CG2-CD1 4.13Å; I528-F530 HydrophobicContact CG2-CD2 4.35Å; I528-F530 HydrophobicContact CG2-CE1 4.13Å; I528-F530 HydrophobicContact CG2-CE2 4.36Å; I528-F530 HydrophobicContact CG2-CG 4.24Å; I528-F530 HydrophobicContact CG2-CZ 4.25Å |
| 531 | A | 95.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 171.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I468 F469 F470 E501 L529 V537 | I468-A531 PolarHBondContact O-N 2.95Å; F469-A531 CarbonylContact C-O 3.59Å; F469-A531 WeakPolarHBondContact CA-O 3.28Å; F469-A531 HydrophobicContact CD1-CB 3.62Å; F469-A531 HydrophobicContact CE1-CB 3.73Å; F469-A531 HydrophobicContact CG-CB 4.39Å; F470-A531 PolarHBondContact N-O 3.15Å; E501-A531 WeakPolarHBondContact OE2-CA 3.38Å; L529-A531 HydrophobicContact CG-CB 4.5Å; L529-A531 PolarHBondContact O-N 3.48Å; A531-V537 HydrophobicContact CB-CB 3.76Å; A531-V537 HydrophobicContact CB-CG1 3.98Å; A531-V537 HydrophobicContact CB-CG2 3.86Å |
| 532 | V | 94.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.9 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | F470 Y473 M476 E501 G535 S538 | F470-V532 WeakPolarHBondContact O-CA 3.36Å; Y473-V532 HydrophobicContact CD1-CB 4.47Å; Y473-V532 HydrophobicContact CD1-CG2 3.6Å; Y473-V532 HydrophobicContact CD2-CB 4.42Å; Y473-V532 HydrophobicContact CD2-CG1 4.2Å; Y473-V532 HydrophobicContact CD2-CG2 4.14Å; Y473-V532 HydrophobicContact CE1-CB 4.31Å; Y473-V532 HydrophobicContact CE1-CG2 3.82Å; Y473-V532 HydrophobicContact CE2-CB 4.29Å; Y473-V532 HydrophobicContact CE2-CG1 4.27Å; Y473-V532 HydrophobicContact CE2-CG2 4.35Å; Y473-V532 HydrophobicContact CG-CG2 3.76Å; M476-V532 HydrophobicContact CE-CG2 4.02Å; M476-V532 HydrophobicContact SD-CG2 4Å; E501-V532 PolarHBondContact OE2-N 3.13Å; V532-G535 VanDerWaalsContact O-CA 3.27Å; V532-G535 WeakPolarHBondContact O-CA 3.02Å; V532-G535 PolarHBondContact O-N 2.89Å; V532-S538 PolarHBondContact O-OG 3.47Å |
| 533 | M | 93 | Very high | 86.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 131.8 | 170.9 | -64.2 | -176 | -98.9 | 0 | 0 | 109.6 | F469 F470 P471 I553 G555 P557 I612 A615 | F469-M533 HydrophobicContact CB-CG 3.7Å; F469-M533 HydrophobicContact CD1-CG 4.48Å; F469-M533 HydrophobicContact CG-CG 4.36Å; F470-M533 PolarHBondContact O-N 3.47Å; P471-M533 HydrophobicContact CG-CE 3.88Å; M533-I553 HydrophobicContact CE-CG2 3.91Å; M533-I553 HydrophobicContact SD-CD1 4.3Å; M533-I553 HydrophobicContact SD-CG2 3.94Å; M533-G555 WeakPolarHBondContact CE-O 3.49Å; M533-P557 HydrophobicContact CB-CB 3.91Å; M533-P557 HydrophobicContact CB-CG 4.21Å; M533-P557 HydrophobicContact CE-CB 4.04Å; M533-P557 HydrophobicContact CE-CG 4.14Å; M533-P557 HydrophobicContact SD-CB 3.98Å; M533-P557 HydrophobicContact SD-CG 3.62Å; M533-I612 HydrophobicContact SD-CG1 4.03Å; M533-A615 HydrophobicContact CG-CB 4.12Å |
| 534 | R | 85.8 | Confident | 86.9 | Confident | 115 Ų | 115 | 32 Ų | 32 | 43% | 0.434 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 19.4 | -161.4 | -43.4 | 173.9 | 178.4 | -158.9 | -6.6 | 113 | S538 Q607 A611 | R534-S538 WeakPolarHBondContact CA-OG 3.3Å; R534-S538 PolarHBondContact N-OG 3.04Å; R534-Q607 VanDerWaalsContact NH2-C 3.34Å; R534-Q607 PolarHBondContact NH2-O 3.14Å; R534-A611 HydrophobicContact CG-CB 3.78Å |
| 535 | G | 84.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -90.6 | 174.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E501 V532 V537 S538 E539 | E501-G535 WeakPolarHBondContact OE1-CA 3.31Å; V532-G535 VanDerWaalsContact O-CA 3.27Å; V532-G535 WeakPolarHBondContact O-CA 3.02Å; V532-G535 PolarHBondContact O-N 2.89Å; G535-V537 PolarHBondContact O-N 3.47Å; G535-S538 PolarHBondContact N-OG 3.23Å; G535-S538 PolarHBondContact O-N 2.75Å; G535-S538 VanDerWaalsContact O-N 3.14Å; G535-S538 PolarHBondContact O-OG 3.39Å; G535-E539 PolarHBondContact O-N 3.06Å |
| 536 | R | 84.7 | Confident | 87.1 | Confident | 87 Ų | 87 | 30.6 Ų | 30.6 | 33% | 0.328 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.4 | -178 | -58.5 | 176.6 | -170.5 | -71 | -6.1 | 113.1 | E501 R503 F508 L541 | E501-R536 PolarHBondContact OE1-N 3.08Å; R503-R536 PolarHBondContact O-NE 3.49Å; R503-R536 PolarHBondContact O-NH2 2.92Å; F508-R536 HydrophobicContact CD1-CB 4.28Å; F508-R536 HydrophobicContact CD2-CB 3.82Å; F508-R536 VanDerWaalsContact CD2-CD 3.49Å; F508-R536 HydrophobicContact CD2-CG 4.29Å; F508-R536 HydrophobicContact CE1-CB 3.99Å; F508-R536 HydrophobicContact CE2-CB 3.51Å; F508-R536 HydrophobicContact CE2-CG 4.44Å; F508-R536 HydrophobicContact CG-CB 4.21Å; F508-R536 VanDerWaalsContact CG-CD 3.45Å; F508-R536 HydrophobicContact CG-CG 4.5Å; F508-R536 HydrophobicContact CZ-CB 3.6Å; R536-L541 VanDerWaalsContact O-CD1 3.26Å; R536-L541 WeakPolarHBondContact O-CD1 3.14Å |
| 537 | V | 83.8 | Confident | 87 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -32.8 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | F469 E501 F508 L529 A531 G535 E539 L543 | F469-V537 HydrophobicContact CE1-CB 4.01Å; F469-V537 HydrophobicContact CE1-CG1 3.9Å; F469-V537 HydrophobicContact CZ-CG1 3.94Å; E501-V537 HydrophobicContact CB-CG2 4.26Å; E501-V537 HydrophobicContact CG-CG2 4.06Å; F508-V537 HydrophobicContact CE2-CG2 3.68Å; F508-V537 HydrophobicContact CZ-CG2 3.91Å; L529-V537 HydrophobicContact CD2-CB 4.49Å; L529-V537 HydrophobicContact CD2-CG1 3.7Å; L529-V537 HydrophobicContact CD2-CG2 3.86Å; L529-V537 HydrophobicContact CG-CG1 4.46Å; L529-V537 HydrophobicContact CG-CG2 4.37Å; A531-V537 HydrophobicContact CB-CB 3.76Å; A531-V537 HydrophobicContact CB-CG1 3.98Å; A531-V537 HydrophobicContact CB-CG2 3.86Å; G535-V537 PolarHBondContact O-N 3.47Å; V537-E539 VanDerWaalsContact C-N 3.3Å; V537-L543 HydrophobicContact CG1-CD1 4.44Å |
| 538 | S | 81.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -14 | 175.7 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | V532 R534 G535 Q614 R618 | V532-S538 PolarHBondContact O-OG 3.47Å; R534-S538 WeakPolarHBondContact CA-OG 3.3Å; R534-S538 PolarHBondContact N-OG 3.04Å; G535-S538 PolarHBondContact N-OG 3.23Å; G535-S538 PolarHBondContact O-N 2.75Å; G535-S538 VanDerWaalsContact O-N 3.14Å; G535-S538 PolarHBondContact O-OG 3.39Å; S538-Q614 VanDerWaalsContact O-CD 3.27Å; S538-Q614 WeakPolarHBondContact O-CG 3.35Å; S538-Q614 PolarHBondContact O-OE1 3.08Å; S538-R618 PolarHBondContact O-NE 3.12Å; S538-R618 PolarHBondContact O-NH2 3.3Å |
| 539 | E | 75.1 | Confident | 86.6 | Confident | 84 Ų | 84 | 30.9 Ų | 30.9 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -109.6 | 147.5 | -180 | -63.5 | -171.5 | 156.5 | 0 | 0 | 111.7 | G535 V537 L541 | G535-E539 PolarHBondContact O-N 3.06Å; V537-E539 VanDerWaalsContact C-N 3.3Å; E539-L541 PolarHBondContact O-N 3.25Å |
| 540 | G | 67.2 | Low | 86.6 | Confident | 80 Ų | 80 | 30.8 Ų | 30.8 | 83% | 0.825 | 17% | 0.171 | S | C | * | . | S | Bend | trans | 61.9 | -10.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 541 | L | 73.9 | Confident | 86.5 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 23% | 0.225 | 17% | 0.171 | C | C | . | . | trans | -106.5 | 147.9 | -170.1 | -64.8 | 173.1 | 0 | 0 | 0 | 114.2 | F508 F512 R536 E539 R618 R621 | F508-L541 HydrophobicContact CE1-CD1 3.51Å; F508-L541 HydrophobicContact CZ-CD1 3.42Å; F508-L541 VanDerWaalsContact CZ-CD1 3.42Å; F512-L541 HydrophobicContact CD1-CD1 4.47Å; F512-L541 HydrophobicContact CD2-CD1 3.78Å; F512-L541 HydrophobicContact CE1-CD1 4.29Å; F512-L541 HydrophobicContact CE1-CD2 4.19Å; F512-L541 HydrophobicContact CE2-CB 4.27Å; F512-L541 HydrophobicContact CE2-CD1 3.55Å; F512-L541 HydrophobicContact CE2-CG 4.42Å; F512-L541 HydrophobicContact CG-CD1 4.23Å; F512-L541 HydrophobicContact CZ-CB 3.94Å; F512-L541 HydrophobicContact CZ-CD1 3.83Å; F512-L541 HydrophobicContact CZ-CD2 4.31Å; F512-L541 HydrophobicContact CZ-CG 4.25Å; R536-L541 VanDerWaalsContact O-CD1 3.26Å; R536-L541 WeakPolarHBondContact O-CD1 3.14Å; E539-L541 PolarHBondContact O-N 3.25Å; L541-R618 PolarHBondContact O-NH1 3.3Å; L541-R621 PolarHBondContact O-NH1 3.07Å; L541-R621 PolarHBondContact O-NH2 3.39Å | ||
| 542 | D | 75 | Confident | 86.6 | Confident | 98 Ų | 98 | 30.8 Ų | 30.8 | 52% | 0.524 | 17% | 0.171 | S | C | . | . | trans | -98.4 | 135.1 | 172.9 | -159.5 | 30.2 | 0 | 0 | 0 | 113.2 | R621 | D542-R621 WeakPolarHBondContact OD1-CD 3.36Å; D542-R621 VanDerWaalsContact OD1-CG 3.25Å; D542-R621 WeakPolarHBondContact OD1-CG 3.21Å; D542-R621 IonicContact OD1-CZ 3.62Å; D542-R621 VanDerWaalsContact OD1-CZ 3.26Å; D542-R621 IonicContact OD1-NE 3.93Å; D542-R621 PolarHBondContact OD1-NE 3.12Å; D542-R621 IonicContact OD1-NH1 3.65Å; D542-R621 PolarHBondContact OD1-NH1 3Å | ||
| 543 | L | 85.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -149 | 69.5 | -172.8 | -70.4 | 170.5 | 0 | 0 | 0 | 107.3 | L467 F512 Y515 V537 A547 R621 | L467-L543 HydrophobicContact CD1-CD1 3.57Å; L467-L543 HydrophobicContact CD2-CD1 3.91Å; L467-L543 HydrophobicContact CG-CD1 4.4Å; F512-L543 HydrophobicContact CE2-CD1 4.18Å; F512-L543 HydrophobicContact CE2-CD2 3.67Å; F512-L543 HydrophobicContact CE2-CG 4.12Å; F512-L543 HydrophobicContact CZ-CD2 3.51Å; F512-L543 HydrophobicContact CZ-CG 3.97Å; Y515-L543 HydrophobicContact CE1-CD2 4.05Å; V537-L543 HydrophobicContact CG1-CD1 4.44Å; L543-A547 HydrophobicContact CB-CB 4.37Å; L543-A547 HydrophobicContact CD2-CB 3.86Å; L543-R621 WeakPolarHBondContact O-CG 3.46Å; L543-R621 PolarHBondContact O-NE 2.88Å | ||
| 544 | A | 85.6 | Confident | 86.9 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 24% | 0.24 | 17% | 0.168 | C | C | . | . | trans | -82.6 | 154.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N546 A547 R621 | A544-N546 PolarHBondContact O-N 3.14Å; A544-A547 WeakPolarHBondContact O-CB 3.49Å; A544-A547 PolarHBondContact O-N 3.27Å; A544-A547 VanDerWaalsContact O-N 3.1Å; A544-R621 VanDerWaalsContact CA-CG 3.48Å; A544-R621 HydrophobicContact CB-CB 3.79Å; A544-R621 HydrophobicContact CB-CG 3.78Å | ||
| 545 | D | 89.8 | Confident | 87.4 | Confident | 48 Ų | 48 | 24.8 Ų | 24.8 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | 51 | -119.2 | 170 | -74 | -64.2 | 0 | 0 | 0 | 113.5 | A547 G548 R549 H622 D625 | D545-A547 PolarHBondContact O-N 2.97Å; D545-G548 PolarHBondContact O-N 2.88Å; D545-R549 VanDerWaalsContact C-CZ 3.43Å; D545-R549 VanDerWaalsContact CA-CZ 3.43Å; D545-R549 VanDerWaalsContact CB-NH2 3.28Å; D545-R549 PolarHBondContact O-NE 3.22Å; D545-R549 IonicContact OD1-CZ 2.67Å; D545-R549 IonicContact OD1-NH1 2.66Å; D545-R549 IonicContact OD1-NH2 3.28Å; D545-R549 PolarHBondContact OD1-NH2 3.33Å; D545-H622 VanDerWaalsContact CG-CE1 3.5Å; D545-H622 IonicContact OD1-CE1 3.49Å; D545-H622 PolarHBondContact OD1-CE1 3.47Å; D545-H622 IonicContact OD1-NE2 3.73Å; D545-H622 PolarHBondContact OD1-NE2 2.89Å; D545-H622 VanDerWaalsContact OD1-NE2 3.09Å; D545-H622 IonicContact OD2-CD2 3.44Å; D545-H622 IonicContact OD2-CE1 2.73Å; D545-H622 PolarHBondContact OD2-CE1 3.43Å; D545-H622 VanDerWaalsContact OD2-CE1 3.25Å; D545-H622 IonicContact OD2-NE2 3.85Å; D545-H622 PolarHBondContact OD2-NE2 2.73Å; D545-D625 PolarHBondContact N-OD1 3.21Å; D545-D625 PolarHBondContact N-OD2 3.02Å |
| 546 | N | 92 | Very high | 87.9 | Confident | 41 Ų | 41 | 25.1 Ų | 25.1 | 22% | 0.219 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -71.7 | -12.4 | -172.7 | -64.5 | -15.6 | 0 | 0 | 0 | 112.8 | A464 G465 A544 G548 R549 | A464-N546 HydrophobicContact CB-CB 3.8Å; A464-N546 VanDerWaalsContact CB-O 3.28Å; A464-N546 WeakPolarHBondContact CB-O 3.46Å; G465-N546 WeakPolarHBondContact CA-O 3.17Å; G465-N546 PolarHBondContact N-O 2.99Å; A544-N546 PolarHBondContact O-N 3.14Å; N546-G548 VanDerWaalsContact C-N 3.26Å; N546-G548 PolarHBondContact O-N 3.03Å; N546-R549 PolarHBondContact OD1-NE 3.33Å; N546-R549 PolarHBondContact OD1-NH2 2.76Å |
| 547 | A | 91.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -74.9 | -11.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y515 R516 L543 A544 D545 | Y515-A547 WeakPolarHBondContact CE1-O 3.47Å; Y515-A547 PolarHBondContact OH-O 3.27Å; R516-A547 HydrophobicContact CG-CB 4.01Å; L543-A547 HydrophobicContact CB-CB 4.37Å; L543-A547 HydrophobicContact CD2-CB 3.86Å; A544-A547 WeakPolarHBondContact O-CB 3.49Å; A544-A547 PolarHBondContact O-N 3.27Å; A544-A547 VanDerWaalsContact O-N 3.1Å; D545-A547 PolarHBondContact O-N 2.97Å |
| 548 | G | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -166.4 | 63.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G465 D545 N546 G550 V619 | G465-G548 CarbonylContact O-C 3.53Å; D545-G548 PolarHBondContact O-N 2.88Å; N546-G548 VanDerWaalsContact C-N 3.26Å; N546-G548 PolarHBondContact O-N 3.03Å; G548-G550 VanDerWaalsContact C-N 3.32Å; G548-G550 PolarHBondContact O-N 3.02Å; G548-V619 WeakPolarHBondContact O-CG2 3.3Å | ||
| 549 | R | 94.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -74.5 | -19.2 | 178.1 | -71.6 | -65.1 | -179.2 | -147.3 | -6.8 | 113.7 | V462 P463 A464 G465 D545 N546 D625 Y626 G627 I628 F670 | V462-R549 HydrophobicContact CG1-CB 4.25Å; P463-R549 HydrophobicContact CG-CB 4.46Å; P463-R549 HydrophobicContact CG-CG 4.47Å; P463-R549 WeakPolarHBondContact O-CB 3.5Å; A464-R549 HydrophobicContact CB-CG 4.44Å; G465-R549 PolarHBondContact O-N 3.3Å; D545-R549 VanDerWaalsContact C-CZ 3.43Å; D545-R549 VanDerWaalsContact CA-CZ 3.43Å; D545-R549 VanDerWaalsContact CB-NH2 3.28Å; D545-R549 PolarHBondContact O-NE 3.22Å; D545-R549 IonicContact OD1-CZ 2.67Å; D545-R549 IonicContact OD1-NH1 2.66Å; D545-R549 IonicContact OD1-NH2 3.28Å; D545-R549 PolarHBondContact OD1-NH2 3.33Å; N546-R549 PolarHBondContact OD1-NE 3.33Å; N546-R549 PolarHBondContact OD1-NH2 2.76Å; R549-D625 IonicContact CZ-OD1 2.68Å; R549-D625 IonicContact NH1-OD1 2.7Å; R549-D625 PolarHBondContact NH1-OD1 3.09Å; R549-Y626 WeakPolarHBondContact CD-O 3.22Å; R549-Y626 PolarHBondContact NH1-O 3.47Å; R549-G627 CarbonylContact O-C 3.56Å; R549-G627 WeakPolarHBondContact O-CA 3.4Å; R549-I628 PolarHBondContact O-N 3.4Å; R549-F670 HydrophobicContact CB-CE1 3.97Å; R549-F670 HydrophobicContact CB-CZ 4.22Å; R549-F670 WeakPolarHBondContact O-CZ 3.44Å |
| 550 | G | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L467 G548 I628 | L467-G550 PolarHBondContact N-O 2.89Å; G548-G550 VanDerWaalsContact C-N 3.32Å; G548-G550 PolarHBondContact O-N 3.02Å; G550-I628 CarbonylContact C-O 3.45Å; G550-I628 WeakPolarHBondContact CA-O 3.31Å |
| 551 | V | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.6 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L467 F469 I553 V616 V619 I628 I629 Y630 | L467-V551 HydrophobicContact CB-CG2 4.14Å; L467-V551 HydrophobicContact CD1-CG2 4.03Å; L467-V551 HydrophobicContact CG-CG2 4.47Å; L467-V551 CarbonylContact O-C 3.6Å; L467-V551 WeakPolarHBondContact O-CA 3.35Å; F469-V551 HydrophobicContact CD2-CG1 3.94Å; F469-V551 HydrophobicContact CE2-CG1 4.14Å; V551-I553 HydrophobicContact CG1-CD1 3.77Å; V551-I553 HydrophobicContact CG1-CG1 4.14Å; V551-V616 HydrophobicContact CG1-CG2 4.44Å; V551-V619 HydrophobicContact CB-CG2 4.43Å; V551-V619 HydrophobicContact CG2-CB 3.68Å; V551-V619 HydrophobicContact CG2-CG2 3.77Å; V551-I628 PolarHBondContact N-O 2.85Å; V551-I629 CarbonylContact O-C 3.59Å; V551-I629 WeakPolarHBondContact O-CA 3.38Å; V551-Y630 PolarHBondContact O-N 3.28Å |
| 552 | F | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133 | 165.2 | -82.6 | -90.5 | 0 | 0 | 0 | 111.3 | L454 L455 L458 L466 L467 I468 F469 L554 Y630 C632 | L454-F552 HydrophobicContact CG-CE1 4.49Å; L455-F552 HydrophobicContact CD2-CD1 3.62Å; L455-F552 HydrophobicContact CD2-CD2 4Å; L455-F552 HydrophobicContact CD2-CE1 3.72Å; L455-F552 HydrophobicContact CD2-CE2 4.07Å; L455-F552 HydrophobicContact CD2-CG 3.79Å; L455-F552 HydrophobicContact CD2-CZ 3.95Å; L458-F552 HydrophobicContact CB-CE2 4.4Å; L458-F552 HydrophobicContact CB-CZ 3.7Å; L458-F552 HydrophobicContact CD1-CE1 3.99Å; L458-F552 HydrophobicContact CD1-CZ 3.69Å; L458-F552 HydrophobicContact CG-CZ 4.35Å; L466-F552 HydrophobicContact CD1-CD2 3.79Å; L466-F552 HydrophobicContact CD1-CE2 3.83Å; L466-F552 HydrophobicContact CD2-CD2 4.13Å; L466-F552 HydrophobicContact CD2-CE2 3.88Å; L466-F552 HydrophobicContact CG-CD2 4.16Å; L466-F552 HydrophobicContact CG-CE2 4.3Å; L467-F552 PolarHBondContact O-N 2.84Å; I468-F552 HydrophobicContact CB-CB 4.27Å; I468-F552 HydrophobicContact CG1-CB 4.13Å; I468-F552 HydrophobicContact CG1-CD2 4.05Å; I468-F552 HydrophobicContact CG1-CG 4.4Å; I468-F552 HydrophobicContact CG2-CB 4.02Å; F469-F552 PolarHBondContact N-O 3.47Å; F552-L554 HydrophobicContact CB-CD2 3.84Å; F552-L554 HydrophobicContact CB-CG 4.38Å; F552-L554 HydrophobicContact CD1-CD2 3.91Å; F552-L554 HydrophobicContact CG-CD2 4.31Å; F552-Y630 HydrophobicContact CD1-CD2 4.02Å; F552-Y630 HydrophobicContact CD1-CG 4.17Å; F552-Y630 AromaticContact CD2-CD2 3.75Å; F552-Y630 HydrophobicContact CD2-CD2 3.75Å; F552-Y630 HydrophobicContact CD2-CE2 4.42Å; F552-Y630 AromaticContact CE1-CD2 3.6Å; F552-Y630 HydrophobicContact CE1-CD2 3.6Å; F552-Y630 HydrophobicContact CE1-CE2 4.41Å; F552-Y630 AromaticContact CE1-CG 3.75Å; F552-Y630 HydrophobicContact CE1-CG 3.75Å; F552-Y630 AromaticContact CE2-CD2 3.31Å; F552-Y630 HydrophobicContact CE2-CD2 3.31Å; F552-Y630 AromaticContact CE2-CE2 3.64Å; F552-Y630 HydrophobicContact CE2-CE2 3.64Å; F552-Y630 HydrophobicContact CE2-CG 4.28Å; F552-Y630 HydrophobicContact CG-CD2 4.07Å; F552-Y630 AromaticContact CZ-CD2 3.21Å; F552-Y630 HydrophobicContact CZ-CD2 3.21Å; F552-Y630 AromaticContact CZ-CE2 3.62Å; F552-Y630 HydrophobicContact CZ-CE2 3.62Å; F552-Y630 AromaticContact CZ-CG 3.8Å; F552-Y630 HydrophobicContact CZ-CG 3.8Å; F552-C632 VanDerWaalsContact CD1-SG 3.54Å |
| 553 | I | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.3 | 170.1 | -57.3 | -58.7 | 0 | 0 | 0 | 108.4 | F469 M533 V551 G555 I612 A615 V616 Y630 L631 C632 F636 | F469-I553 HydrophobicContact CB-CD1 4.11Å; F469-I553 HydrophobicContact CD2-CD1 4.11Å; F469-I553 HydrophobicContact CG-CD1 4.48Å; M533-I553 HydrophobicContact CE-CG2 3.91Å; M533-I553 HydrophobicContact SD-CD1 4.3Å; M533-I553 HydrophobicContact SD-CG2 3.94Å; V551-I553 HydrophobicContact CG1-CD1 3.77Å; V551-I553 HydrophobicContact CG1-CG1 4.14Å; I553-G555 WeakPolarHBondContact CG2-O 3.48Å; I553-G555 PolarHBondContact O-N 2.8Å; I553-I612 HydrophobicContact CG2-CG1 4.22Å; I553-I612 HydrophobicContact CG2-CG2 4.31Å; I553-A615 HydrophobicContact CD1-CB 4.03Å; I553-V616 HydrophobicContact CD1-CG2 3.65Å; I553-V616 HydrophobicContact CG1-CG2 3.5Å; I553-Y630 PolarHBondContact N-O 2.64Å; I553-L631 HydrophobicContact CB-CD2 3.69Å; I553-L631 HydrophobicContact CG1-CD2 3.61Å; I553-L631 HydrophobicContact CG2-CD2 4.3Å; I553-C632 PolarHBondContact O-N 3.32Å; I553-F636 HydrophobicContact CG2-CE2 4.34Å; I553-F636 HydrophobicContact CG2-CZ 3.79Å |
| 554 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -94.7 | 65.7 | -169.4 | -55.8 | -168 | 0 | 0 | 0 | 112.2 | L451 L455 I468 F469 F470 P471 F552 C632 | L451-L554 HydrophobicContact CD1-CD1 4.17Å; L451-L554 HydrophobicContact CD1-CD2 3.88Å; L451-L554 HydrophobicContact CD1-CG 4.46Å; L451-L554 HydrophobicContact CD2-CD1 4.31Å; L455-L554 HydrophobicContact CD1-CD1 4.23Å; L455-L554 HydrophobicContact CD2-CD2 4.49Å; I468-L554 HydrophobicContact CG2-CD1 3.43Å; I468-L554 VanDerWaalsContact CG2-CD1 3.43Å; I468-L554 HydrophobicContact CG2-CG 3.98Å; F469-L554 PolarHBondContact O-N 3.27Å; F470-L554 HydrophobicContact CD1-CB 4.43Å; F470-L554 HydrophobicContact CD1-CD1 4.13Å; F470-L554 HydrophobicContact CE1-CD1 3.71Å; F470-L554 HydrophobicContact CE2-CD1 4.26Å; F470-L554 HydrophobicContact CZ-CD1 3.79Å; P471-L554 WeakPolarHBondContact CD-O 3.38Å; P471-L554 WeakPolarHBondContact CG-O 3.35Å; F552-L554 HydrophobicContact CB-CD2 3.84Å; F552-L554 HydrophobicContact CB-CG 4.38Å; F552-L554 HydrophobicContact CD1-CD2 3.91Å; F552-L554 HydrophobicContact CG-CD2 4.31Å; L554-C632 HydrophobicContact CD2-CB 3.82Å | ||
| 555 | G | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 103.7 | -176 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | M533 I553 | M533-G555 WeakPolarHBondContact CE-O 3.49Å; I553-G555 WeakPolarHBondContact CG2-O 3.48Å; I553-G555 PolarHBondContact O-N 2.8Å |
| 556 | I | 95.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | trans | -104.2 | 125.8 | -177.4 | -58.4 | 174.3 | 0 | 0 | 0 | 109.6 | Y558 A608 W609 I612 R635 F636 | I556-Y558 HydrophobicContact CB-CD2 3.91Å; I556-Y558 HydrophobicContact CB-CE2 3.78Å; I556-Y558 HydrophobicContact CD1-CE2 4.28Å; I556-Y558 HydrophobicContact CG2-CD2 3.54Å; I556-Y558 HydrophobicContact CG2-CE1 4.5Å; I556-Y558 HydrophobicContact CG2-CE2 3.31Å; I556-Y558 HydrophobicContact CG2-CG 4.24Å; I556-Y558 PolarHBondContact O-N 2.82Å; I556-A608 HydrophobicContact CG2-CB 3.74Å; I556-W609 HydrophobicContact CD1-CZ2 4.39Å; I556-I612 HydrophobicContact CB-CD1 4.48Å; I556-I612 HydrophobicContact CG1-CD1 4.38Å; I556-I612 HydrophobicContact CG2-CD1 4.05Å; I556-R635 HydrophobicContact CD1-CB 3.84Å; I556-F636 HydrophobicContact CG1-CE1 4.19Å; I556-F636 HydrophobicContact CG1-CE2 4.25Å; I556-F636 HydrophobicContact CG1-CZ 3.83Å | ||
| 557 | P | 95 | Very high | 94.1 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | trans | -82.1 | 62.3 | -174.3 | 37.4 | -38.5 | 0 | 0 | 0 | 111.8 | M533 A608 A611 I612 | M533-P557 HydrophobicContact CB-CB 3.91Å; M533-P557 HydrophobicContact CB-CG 4.21Å; M533-P557 HydrophobicContact CE-CB 4.04Å; M533-P557 HydrophobicContact CE-CG 4.14Å; M533-P557 HydrophobicContact SD-CB 3.98Å; M533-P557 HydrophobicContact SD-CG 3.62Å; P557-A608 WeakPolarHBondContact CG-O 3.44Å; P557-A611 HydrophobicContact CG-CB 3.84Å; P557-I612 VanDerWaalsContact CD-CG1 3.46Å; P557-I612 HydrophobicContact CG-CD1 4.43Å; P557-I612 HydrophobicContact CG-CG1 3.91Å | ||
| 558 | Y | 94 | Very high | 94.3 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 135.3 | 171.5 | -77.1 | -70.6 | 0 | 0 | 0 | 111.1 | I556 Y604 N605 A608 | I556-Y558 HydrophobicContact CB-CD2 3.91Å; I556-Y558 HydrophobicContact CB-CE2 3.78Å; I556-Y558 HydrophobicContact CD1-CE2 4.28Å; I556-Y558 HydrophobicContact CG2-CD2 3.54Å; I556-Y558 HydrophobicContact CG2-CE1 4.5Å; I556-Y558 HydrophobicContact CG2-CE2 3.31Å; I556-Y558 HydrophobicContact CG2-CG 4.24Å; I556-Y558 PolarHBondContact O-N 2.82Å; Y558-Y604 AromaticContact CD1-CD1 3.86Å; Y558-Y604 HydrophobicContact CD1-CD1 3.86Å; Y558-Y604 AromaticContact CD1-CE1 3.3Å; Y558-Y604 HydrophobicContact CD1-CE1 3.3Å; Y558-Y604 HydrophobicContact CD1-CE2 4.49Å; Y558-Y604 AromaticContact CD1-CZ 3.67Å; Y558-Y604 AromaticContact CE1-CD1 3.96Å; Y558-Y604 HydrophobicContact CE1-CD1 3.96Å; Y558-Y604 AromaticContact CE1-CE1 3.7Å; Y558-Y604 HydrophobicContact CE1-CE1 3.7Å; Y558-Y604 HydrophobicContact CG-CE1 4.16Å; Y558-N605 WeakPolarHBondContact CE1-OD1 3.17Å; Y558-N605 PolarHBondContact OH-OD1 2.73Å; Y558-A608 HydrophobicContact CD1-CB 3.85Å; Y558-A608 HydrophobicContact CE1-CB 4.03Å; Y558-A608 HydrophobicContact CG-CB 4.25Å |
| 559 | A | 90.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 153.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I561 V566 Y604 | A559-I561 PolarHBondContact O-N 2.98Å; A559-I561 VanDerWaalsContact O-N 3.12Å; A559-V566 HydrophobicContact CB-CG1 4.48Å; A559-V566 HydrophobicContact CB-CG2 3.89Å; A559-Y604 HydrophobicContact CB-CE2 4.38Å; A559-Y604 WeakPolarHBondContact O-CE2 3.29Å; A559-Y604 PolarHBondContact O-OH 3.45Å |
| 560 | P | 91.2 | Very high | 94.6 | Very high | 92 Ų | 92 | 34.1 Ų | 34.1 | 60% | 0.597 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -61.6 | 118.4 | 178.4 | -18.2 | 31.1 | 0 | 0 | 0 | 110.2 | H562 D563 | P560-H562 PolarHBondContact O-N 3.04Å; P560-D563 HydrophobicContact CB-CB 4.24Å; P560-D563 WeakPolarHBondContact O-CB 3.33Å; P560-D563 PolarHBondContact O-N 3.08Å |
| 561 | I | 90.3 | Very high | 94.6 | Very high | 84 Ų | 84 | 36.2 Ų | 36.2 | 43% | 0.431 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.5 | -175 | -162.6 | 167.3 | 0 | 0 | 0 | 113.2 | A559 Y604 | A559-I561 PolarHBondContact O-N 2.98Å; A559-I561 VanDerWaalsContact O-N 3.12Å; I561-Y604 HydrophobicContact CB-CE2 4.45Å; I561-Y604 HydrophobicContact CD1-CE1 4.5Å |
| 562 | H | 89.3 | Confident | 94.5 | Very high | 174 Ų | 174 | 36.5 Ų | 36.5 | 81% | 0.806 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 6.8 | 174.8 | -54.9 | -62.8 | 0 | 0 | 0 | 113.3 | P560 P564 | P560-H562 PolarHBondContact O-N 3.04Å; H562-P564 WeakPolarHBondContact O-CD 3.41Å |
| 563 | D | 92.6 | Very high | 94.3 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | trans | -66.8 | 126.7 | 166.7 | -177.3 | -66.3 | 0 | 0 | 0 | 108.7 | P560 R565 V566 S567 | P560-D563 HydrophobicContact CB-CB 4.24Å; P560-D563 WeakPolarHBondContact O-CB 3.33Å; P560-D563 PolarHBondContact O-N 3.08Å; D563-R565 PolarHBondContact O-N 3.4Å; D563-R565 WeakPolarHBondContact OD1-CA 3.41Å; D563-R565 WeakPolarHBondContact OD1-CB 3.46Å; D563-R565 PolarHBondContact OD1-N 2.74Å; D563-V566 HydrophobicContact CB-CB 4.01Å; D563-V566 HydrophobicContact CB-CG2 3.75Å; D563-V566 PolarHBondContact O-N 3.34Å; D563-V566 PolarHBondContact OD1-N 2.87Å; D563-S567 PolarHBondContact O-N 3.48Å; D563-S567 PolarHBondContact O-OG 3.47Å | ||
| 564 | P | 94.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -34.1 | -178.2 | -27.7 | 36.2 | 0 | 0 | 0 | 113.3 | H329 W366 H562 S567 L568 | H329-P564 VanDerWaalsContact CE1-CB 3.44Å; H329-P564 WeakPolarHBondContact CE1-CB 3.22Å; W366-P564 HydrophobicContact CH2-CB 4.28Å; W366-P564 HydrophobicContact CZ3-CB 4.18Å; H562-P564 WeakPolarHBondContact O-CD 3.41Å; P564-S567 WeakPolarHBondContact CA-OG 3.37Å; P564-S567 PolarHBondContact O-OG 3.4Å; P564-L568 VanDerWaalsContact O-CB 3.23Å; P564-L568 WeakPolarHBondContact O-CB 3.41Å; P564-L568 WeakPolarHBondContact O-CD1 3.47Å; P564-L568 WeakPolarHBondContact O-CG 3.4Å; P564-L568 PolarHBondContact O-N 3.39Å |
| 565 | R | 95 | Very high | 93.9 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.2 | -37.7 | 179.1 | -166.8 | 174.5 | 173.7 | 167.7 | -8 | 111.7 | Q130 E133 D134 W366 F368 D563 K569 | Q130-R565 VanDerWaalsContact NE2-NH2 3.11Å; E133-R565 IonicContact OE2-CZ 3.26Å; E133-R565 IonicContact OE2-NE 3.65Å; E133-R565 IonicContact OE2-NH2 3.35Å; E133-R565 PolarHBondContact OE2-NH2 2.62Å; D134-R565 IonicContact OD1-CZ 2.78Å; D134-R565 IonicContact OD1-NH1 3.4Å; D134-R565 PolarHBondContact OD1-NH1 3.14Å; D134-R565 IonicContact OD1-NH2 2.95Å; D134-R565 PolarHBondContact OD1-NH2 2.58Å; W366-R565 HydrophobicContact CD2-CB 4.49Å; W366-R565 HydrophobicContact CD2-CG 4.17Å; W366-R565 HydrophobicContact CE3-CB 4.13Å; W366-R565 HydrophobicContact CE3-CG 4.09Å; W366-R565 HydrophobicContact CH2-CB 3.91Å; W366-R565 HydrophobicContact CZ2-CB 4.28Å; W366-R565 HydrophobicContact CZ3-CB 3.82Å; W366-R565 HydrophobicContact CZ3-CG 4.3Å; F368-R565 HydrophobicContact CE1-CG 3.61Å; F368-R565 HydrophobicContact CZ-CG 4.03Å; D563-R565 PolarHBondContact O-N 3.4Å; D563-R565 WeakPolarHBondContact OD1-CA 3.41Å; D563-R565 WeakPolarHBondContact OD1-CB 3.46Å; D563-R565 PolarHBondContact OD1-N 2.74Å; R565-K569 VanDerWaalsContact O-CB 3.23Å; R565-K569 WeakPolarHBondContact O-CB 3.37Å; R565-K569 PolarHBondContact O-N 3.06Å |
| 566 | V | 95.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -50.7 | 175 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | A559 D563 L568 K569 M570 W603 Y604 | A559-V566 HydrophobicContact CB-CG1 4.48Å; A559-V566 HydrophobicContact CB-CG2 3.89Å; D563-V566 HydrophobicContact CB-CB 4.01Å; D563-V566 HydrophobicContact CB-CG2 3.75Å; D563-V566 PolarHBondContact O-N 3.34Å; D563-V566 PolarHBondContact OD1-N 2.87Å; V566-L568 PolarHBondContact O-N 3.41Å; V566-K569 PolarHBondContact O-N 2.69Å; V566-M570 HydrophobicContact CG1-SD 4.18Å; V566-M570 VanDerWaalsContact O-CG 3.29Å; V566-M570 WeakPolarHBondContact O-CG 3.23Å; V566-M570 PolarHBondContact O-N 3.5Å; V566-W603 HydrophobicContact CG1-CZ3 4.28Å; V566-Y604 HydrophobicContact CG1-CD2 3.78Å; V566-Y604 HydrophobicContact CG1-CE2 3.86Å |
| 567 | S | 95.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.5 | -40.1 | -178.9 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | D563 P564 M570 A571 | D563-S567 PolarHBondContact O-N 3.48Å; D563-S567 PolarHBondContact O-OG 3.47Å; P564-S567 WeakPolarHBondContact CA-OG 3.37Å; P564-S567 PolarHBondContact O-OG 3.4Å; S567-M570 PolarHBondContact O-N 3.49Å; S567-A571 PolarHBondContact O-N 3.24Å |
| 568 | L | 96.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.1 | -33.8 | 176.7 | -65.5 | 172.2 | 0 | 0 | 0 | 113.4 | T239 R327 H329 W366 F368 P564 V566 M570 A571 Y572 | T239-L568 HydrophobicContact CG2-CD1 3.6Å; T239-L568 HydrophobicContact CG2-CD2 3.81Å; T239-L568 HydrophobicContact CG2-CG 4.36Å; R327-L568 HydrophobicContact CB-CD1 4.38Å; H329-L568 HydrophobicContact CB-CD1 4.46Å; W366-L568 HydrophobicContact CE3-CD1 4.41Å; W366-L568 HydrophobicContact CZ3-CD1 4.26Å; F368-L568 HydrophobicContact CE2-CB 3.61Å; F368-L568 HydrophobicContact CZ-CB 3.6Å; P564-L568 VanDerWaalsContact O-CB 3.23Å; P564-L568 WeakPolarHBondContact O-CB 3.41Å; P564-L568 WeakPolarHBondContact O-CD1 3.47Å; P564-L568 WeakPolarHBondContact O-CG 3.4Å; P564-L568 PolarHBondContact O-N 3.39Å; V566-L568 PolarHBondContact O-N 3.41Å; L568-M570 VanDerWaalsContact C-N 3.34Å; L568-A571 PolarHBondContact O-N 3.3Å; L568-Y572 VanDerWaalsContact O-CB 3.27Å; L568-Y572 WeakPolarHBondContact O-CB 3.43Å; L568-Y572 PolarHBondContact O-N 3.3Å |
| 569 | K | 96.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 170.4 | 176.3 | 60.6 | -174.3 | -159.2 | 0 | 111.3 | E133 F368 E401 R565 V566 Y572 L573 W603 | E133-K569 WeakPolarHBondContact OE1-CD 3.36Å; E133-K569 WeakPolarHBondContact OE1-CE 3.36Å; E133-K569 IonicContact OE1-NZ 3.62Å; E133-K569 PolarHBondContact OE1-NZ 2.83Å; F368-K569 HydrophobicContact CB-CD 3.98Å; F368-K569 HydrophobicContact CD1-CB 3.68Å; F368-K569 HydrophobicContact CD1-CD 3.74Å; F368-K569 HydrophobicContact CD1-CG 4.23Å; F368-K569 HydrophobicContact CE1-CB 3.73Å; F368-K569 HydrophobicContact CG-CB 4.46Å; F368-K569 HydrophobicContact CG-CD 4.2Å; F368-K569 PolarHBondContact O-NZ 2.65Å; E401-K569 WeakPolarHBondContact OE2-CE 3.48Å; E401-K569 IonicContact OE2-NZ 3.54Å; E401-K569 PolarHBondContact OE2-NZ 3.05Å; R565-K569 VanDerWaalsContact O-CB 3.23Å; R565-K569 WeakPolarHBondContact O-CB 3.37Å; R565-K569 PolarHBondContact O-N 3.06Å; V566-K569 PolarHBondContact O-N 2.69Å; K569-Y572 PolarHBondContact O-N 3.25Å; K569-L573 HydrophobicContact CD-CD1 4.45Å; K569-L573 HydrophobicContact CD-CG 4.34Å; K569-L573 WeakPolarHBondContact O-CG 3.33Å; K569-L573 PolarHBondContact O-N 3.08Å; K569-W603 HydrophobicContact CB-CH2 4.01Å; K569-W603 HydrophobicContact CB-CZ2 4.42Å; K569-W603 HydrophobicContact CB-CZ3 4.23Å; K569-W603 HydrophobicContact CD-CZ2 4.47Å; K569-W603 HydrophobicContact CG-CD2 4.15Å; K569-W603 HydrophobicContact CG-CE3 4.15Å; K569-W603 HydrophobicContact CG-CH2 3.54Å; K569-W603 HydrophobicContact CG-CZ2 3.5Å; K569-W603 VanDerWaalsContact CG-CZ2 3.5Å; K569-W603 HydrophobicContact CG-CZ3 3.86Å |
| 570 | M | 95.9 | Very high | 91.7 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 14% | 0.143 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 175 | -71 | 177.8 | 60.5 | 0 | 0 | 111.5 | V566 S567 L568 Y572 L573 D574 G600 W603 Y604 | V566-M570 HydrophobicContact CG1-SD 4.18Å; V566-M570 VanDerWaalsContact O-CG 3.29Å; V566-M570 WeakPolarHBondContact O-CG 3.23Å; V566-M570 PolarHBondContact O-N 3.5Å; S567-M570 PolarHBondContact O-N 3.49Å; L568-M570 VanDerWaalsContact C-N 3.34Å; M570-Y572 VanDerWaalsContact C-N 3.34Å; M570-Y572 PolarHBondContact O-N 3.18Å; M570-L573 PolarHBondContact O-N 3.06Å; M570-D574 PolarHBondContact O-N 3Å; M570-G600 WeakPolarHBondContact CG-O 3.17Å; M570-W603 HydrophobicContact CG-CE3 3.92Å; M570-W603 HydrophobicContact CG-CZ3 3.99Å; M570-Y604 HydrophobicContact CE-CG 4.39Å; M570-Y604 HydrophobicContact SD-CD2 3.8Å; M570-Y604 HydrophobicContact SD-CG 3.87Å |
| 571 | A | 95 | Very high | 91.2 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | S567 L568 L573 D574 E575 | S567-A571 PolarHBondContact O-N 3.24Å; L568-A571 PolarHBondContact O-N 3.3Å; A571-L573 PolarHBondContact O-N 3.13Å; A571-D574 PolarHBondContact O-N 2.98Å; A571-E575 PolarHBondContact O-N 3.13Å |
| 572 | Y | 94.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.9 | 172.1 | -96.9 | 0 | 0 | 0 | 112.3 | F368 S369 L568 K569 M570 E575 Q576 | F368-Y572 HydrophobicContact CB-CD1 3.45Å; F368-Y572 VanDerWaalsContact CB-CD1 3.45Å; F368-Y572 HydrophobicContact CB-CD2 4.19Å; F368-Y572 HydrophobicContact CB-CE1 3.95Å; F368-Y572 HydrophobicContact CB-CG 3.58Å; F368-Y572 HydrophobicContact CD2-CG 4.49Å; F368-Y572 HydrophobicContact CG-CG 4.38Å; F368-Y572 WeakPolarHBondContact O-CE1 3.49Å; S369-Y572 WeakPolarHBondContact CB-OH 3.33Å; L568-Y572 VanDerWaalsContact O-CB 3.27Å; L568-Y572 WeakPolarHBondContact O-CB 3.43Å; L568-Y572 PolarHBondContact O-N 3.3Å; K569-Y572 PolarHBondContact O-N 3.25Å; M570-Y572 VanDerWaalsContact C-N 3.34Å; M570-Y572 PolarHBondContact O-N 3.18Å; Y572-E575 WeakPolarHBondContact O-CB 3.36Å; Y572-E575 PolarHBondContact O-N 3.44Å; Y572-Q576 HydrophobicContact CD1-CG 4.31Å; Y572-Q576 HydrophobicContact CD2-CG 4.28Å; Y572-Q576 HydrophobicContact CE1-CG 3.78Å; Y572-Q576 HydrophobicContact CE2-CG 3.73Å; Y572-Q576 VanDerWaalsContact CZ-CG 3.46Å; Y572-Q576 WeakPolarHBondContact O-CG 3.37Å; Y572-Q576 PolarHBondContact O-N 3.05Å |
| 573 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.5 | -74 | 176.2 | 0 | 0 | 0 | 112 | E401 K569 M570 A571 Q576 F577 Y597 P598 W603 | E401-L573 HydrophobicContact CG-CD2 4.1Å; K569-L573 HydrophobicContact CD-CD1 4.45Å; K569-L573 HydrophobicContact CD-CG 4.34Å; K569-L573 WeakPolarHBondContact O-CG 3.33Å; K569-L573 PolarHBondContact O-N 3.08Å; M570-L573 PolarHBondContact O-N 3.06Å; A571-L573 PolarHBondContact O-N 3.13Å; L573-Q576 PolarHBondContact O-N 2.96Å; L573-F577 WeakPolarHBondContact O-CB 3.23Å; L573-F577 PolarHBondContact O-N 3.36Å; L573-Y597 HydrophobicContact CB-CE1 4.49Å; L573-Y597 HydrophobicContact CD2-CE1 3.65Å; L573-P598 HydrophobicContact CD2-CG 4.42Å; L573-W603 HydrophobicContact CD1-CB 3.35Å; L573-W603 HydrophobicContact CD1-CD2 3.93Å; L573-W603 HydrophobicContact CD1-CG 3.38Å |
| 574 | D | 93.5 | Very high | 88.4 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 177 | -68.8 | -32.9 | 0 | 0 | 0 | 111.9 | M570 A571 F577 V578 T599 G600 | M570-D574 PolarHBondContact O-N 3Å; A571-D574 PolarHBondContact O-N 2.98Å; D574-F577 PolarHBondContact O-N 2.87Å; D574-V578 WeakPolarHBondContact O-CG2 3.34Å; D574-V578 PolarHBondContact O-N 2.85Å; D574-T599 VanDerWaalsContact OD1-CA 3.31Å; D574-T599 WeakPolarHBondContact OD1-CA 3.49Å; D574-T599 VanDerWaalsContact OD1-CB 3.23Å; D574-T599 WeakPolarHBondContact OD1-CB 3.49Å; D574-G600 PolarHBondContact OD1-N 3.39Å |
| 575 | E | 91.6 | Very high | 86.5 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 169.7 | -81.9 | 179.4 | -135.6 | 0 | 0 | 112.7 | R327 A571 Y572 F577 V578 K579 | R327-E575 IonicContact CZ-OE1 3.42Å; R327-E575 IonicContact NH2-OE1 3.83Å; R327-E575 PolarHBondContact NH2-OE1 3.36Å; R327-E575 IonicContact NH2-OE2 3.18Å; R327-E575 PolarHBondContact NH2-OE2 3.41Å; A571-E575 PolarHBondContact O-N 3.13Å; Y572-E575 WeakPolarHBondContact O-CB 3.36Å; Y572-E575 PolarHBondContact O-N 3.44Å; E575-F577 VanDerWaalsContact C-N 3.35Å; E575-V578 PolarHBondContact O-N 2.89Å; E575-K579 WeakPolarHBondContact O-CG 3.47Å; E575-K579 PolarHBondContact O-N 3.26Å; E575-K579 IonicContact OE2-NZ 2.71Å; E575-K579 PolarHBondContact OE2-NZ 2.97Å |
| 576 | Q | 87.4 | Confident | 84.7 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | -179.1 | -65.7 | -55 | -29.3 | 0 | 0 | 111.1 | Y572 L573 V578 K579 L580 Y597 | Y572-Q576 HydrophobicContact CD1-CG 4.31Å; Y572-Q576 HydrophobicContact CD2-CG 4.28Å; Y572-Q576 HydrophobicContact CE1-CG 3.78Å; Y572-Q576 HydrophobicContact CE2-CG 3.73Å; Y572-Q576 VanDerWaalsContact CZ-CG 3.46Å; Y572-Q576 WeakPolarHBondContact O-CG 3.37Å; Y572-Q576 PolarHBondContact O-N 3.05Å; L573-Q576 PolarHBondContact O-N 2.96Å; Q576-V578 VanDerWaalsContact C-N 3.3Å; Q576-V578 PolarHBondContact O-N 3.31Å; Q576-K579 PolarHBondContact O-N 2.94Å; Q576-L580 WeakPolarHBondContact O-CB 3.45Å; Q576-L580 WeakPolarHBondContact O-CG 3.39Å; Q576-L580 PolarHBondContact O-N 3.44Å; Q576-Y597 HydrophobicContact CB-CE1 3.81Å |
| 577 | F | 86.4 | Confident | 83.2 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 172 | -175 | -93.9 | 0 | 0 | 0 | 111.7 | L573 D574 E575 K581 I594 Y597 T599 | L573-F577 WeakPolarHBondContact O-CB 3.23Å; L573-F577 PolarHBondContact O-N 3.36Å; D574-F577 PolarHBondContact O-N 2.87Å; E575-F577 VanDerWaalsContact C-N 3.35Å; F577-K581 HydrophobicContact CE1-CD 4.31Å; F577-K581 WeakPolarHBondContact O-CB 3.35Å; F577-K581 PolarHBondContact O-N 3.35Å; F577-K581 VanDerWaalsContact O-N 3.11Å; F577-I594 HydrophobicContact CE2-CG2 4.31Å; F577-I594 WeakPolarHBondContact CE2-O 3.48Å; F577-Y597 HydrophobicContact CB-CD1 4.29Å; F577-Y597 WeakPolarHBondContact CD2-O 3.3Å; F577-T599 HydrophobicContact CD1-CG2 4.37Å; F577-T599 HydrophobicContact CD2-CG2 4.37Å; F577-T599 HydrophobicContact CG-CG2 4.29Å |
| 578 | V | 87 | Confident | 81.9 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 58% | 0.576 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 112 | D574 E575 Q576 L580 K581 S582 | D574-V578 WeakPolarHBondContact O-CG2 3.34Å; D574-V578 PolarHBondContact O-N 2.85Å; E575-V578 PolarHBondContact O-N 2.89Å; Q576-V578 VanDerWaalsContact C-N 3.3Å; Q576-V578 PolarHBondContact O-N 3.31Å; V578-L580 PolarHBondContact O-N 3.21Å; V578-K581 CarbonylContact O-C 3.39Å; V578-K581 PolarHBondContact O-N 2.97Å; V578-S582 PolarHBondContact O-N 3.35Å; V578-S582 PolarHBondContact O-OG 2.9Å |
| 579 | K | 83.8 | Confident | 80.3 | Confident | 65 Ų | 65 | 73.4 Ų | 73.4 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 179.1 | -70.6 | 166 | -168.1 | 163.3 | 0 | 112.6 | E575 Q576 K581 S582 N583 | E575-K579 WeakPolarHBondContact O-CG 3.47Å; E575-K579 PolarHBondContact O-N 3.26Å; E575-K579 IonicContact OE2-NZ 2.71Å; E575-K579 PolarHBondContact OE2-NZ 2.97Å; Q576-K579 PolarHBondContact O-N 2.94Å; K579-K581 VanDerWaalsContact C-N 3.3Å; K579-K581 PolarHBondContact O-N 3.18Å; K579-S582 PolarHBondContact O-N 3.49Å; K579-S582 PolarHBondContact O-OG 3.01Å; K579-N583 WeakPolarHBondContact O-CB 3.38Å; K579-N583 PolarHBondContact O-N 3.17Å; K579-N583 VanDerWaalsContact O-N 3.16Å; K579-N583 PolarHBondContact O-ND2 3.35Å; K579-N583 PolarHBondContact O-OD1 2.86Å |
| 580 | L | 79.9 | Confident | 78.8 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.8 | -67.1 | 168.2 | 0 | 0 | 0 | 110.6 | Q576 V578 N583 I594 Y597 | Q576-L580 WeakPolarHBondContact O-CB 3.45Å; Q576-L580 WeakPolarHBondContact O-CG 3.39Å; Q576-L580 PolarHBondContact O-N 3.44Å; V578-L580 PolarHBondContact O-N 3.21Å; L580-N583 PolarHBondContact O-N 3.1Å; L580-I594 HydrophobicContact CB-CG1 3.84Å; L580-I594 VanDerWaalsContact O-CD1 3.23Å; L580-I594 WeakPolarHBondContact O-CD1 3.31Å; L580-Y597 HydrophobicContact CD1-CD1 4.43Å; L580-Y597 HydrophobicContact CD1-CD2 3.46Å; L580-Y597 VanDerWaalsContact CD1-CD2 3.46Å; L580-Y597 HydrophobicContact CD1-CE2 3.87Å; L580-Y597 HydrophobicContact CD1-CG 3.8Å |
| 581 | K | 80.5 | Confident | 77.6 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.6 | -29.9 | 177.5 | -171.6 | 175.2 | 179.3 | 179.9 | 0 | 114.3 | F577 V578 K579 S584 I594 | F577-K581 HydrophobicContact CE1-CD 4.31Å; F577-K581 WeakPolarHBondContact O-CB 3.35Å; F577-K581 PolarHBondContact O-N 3.35Å; F577-K581 VanDerWaalsContact O-N 3.11Å; V578-K581 CarbonylContact O-C 3.39Å; V578-K581 PolarHBondContact O-N 2.97Å; K579-K581 VanDerWaalsContact C-N 3.3Å; K579-K581 PolarHBondContact O-N 3.18Å; K581-S584 PolarHBondContact O-OG 2.97Å; K581-I594 HydrophobicContact CB-CG2 4.17Å |
| 582 | S | 79.4 | Confident | 76.3 | Confident | 87 Ų | 87 | 82 Ų | 82 | 61% | 0.608 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -72 | -32.2 | 171.5 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | V578 K579 S584 | V578-S582 PolarHBondContact O-N 3.35Å; V578-S582 PolarHBondContact O-OG 2.9Å; K579-S582 PolarHBondContact O-N 3.49Å; K579-S582 PolarHBondContact O-OG 3.01Å; S582-S584 VanDerWaalsContact C-N 3.31Å; S582-S584 PolarHBondContact O-N 2.99Å |
| 583 | N | 70.9 | Confident | 75 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 55% | 0.551 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 11.8 | -173.8 | -62.3 | 1.3 | 0 | 0 | 0 | 113.3 | K579 L580 T585 Q590 | K579-N583 WeakPolarHBondContact O-CB 3.38Å; K579-N583 PolarHBondContact O-N 3.17Å; K579-N583 VanDerWaalsContact O-N 3.16Å; K579-N583 PolarHBondContact O-ND2 3.35Å; K579-N583 PolarHBondContact O-OD1 2.86Å; L580-N583 PolarHBondContact O-N 3.1Å; N583-T585 PolarHBondContact O-N 3.45Å; N583-Q590 PolarHBondContact O-NE2 3.24Å; N583-Q590 PolarHBondContact O-OE1 2.94Å |
| 584 | S | 64.2 | Low | 74 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | trans | -85.5 | 88.8 | -174.2 | 72.3 | 0 | 0 | 0 | 0 | 113 | K581 S582 H586 | K581-S584 PolarHBondContact O-OG 2.97Å; S582-S584 VanDerWaalsContact C-N 3.31Å; S582-S584 PolarHBondContact O-N 2.99Å; S584-H586 PolarHBondContact O-N 3.46Å | ||
| 585 | T | 54.4 | Low | 73.1 | Confident | 116 Ų | 116 | 87.6 Ų | 87.6 | 71% | 0.712 | 45% | 0.454 | S | S | * | . | trans | -82.1 | 75.8 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | N583 D587 | N583-T585 PolarHBondContact O-N 3.45Å; T585-D587 PolarHBondContact O-N 3.14Å | ||
| 586 | H | 56.9 | Low | 72.6 | Confident | 198 Ų | 198 | 88.3 Ų | 88.3 | 92% | 0.917 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 58.2 | -11.8 | 173.3 | -90.3 | -77.5 | 0 | 0 | 0 | 119.1 | S584 Q588 | S584-H586 PolarHBondContact O-N 3.46Å; H586-Q588 PolarHBondContact O-N 3.1Å |
| 587 | D | 64.9 | Low | 72.5 | Confident | 85 Ų | 85 | 88.1 Ų | 88.1 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | trans | -70.6 | 123.9 | -178.5 | -176.8 | 10 | 0 | 0 | 0 | 112.7 | T585 L589 Q590 K591 | T585-D587 PolarHBondContact O-N 3.14Å; D587-L589 PolarHBondContact O-N 3.47Å; D587-L589 WeakPolarHBondContact OD1-CB 3.47Å; D587-L589 PolarHBondContact OD1-N 2.89Å; D587-Q590 HydrophobicContact CB-CB 4.13Å; D587-Q590 PolarHBondContact O-N 2.92Å; D587-K591 PolarHBondContact O-N 2.85Å | ||
| 588 | Q | 67.2 | Low | 72.6 | Confident | 162 Ų | 162 | 86.2 Ų | 86.2 | 76% | 0.757 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.5 | -30.9 | 174.1 | -68.5 | -176.1 | -15.2 | 0 | 0 | 112.5 | H586 K591 T592 | H586-Q588 PolarHBondContact O-N 3.1Å; Q588-K591 PolarHBondContact O-N 3.39Å; Q588-T592 WeakPolarHBondContact O-CG2 3.35Å; Q588-T592 PolarHBondContact O-N 2.92Å; Q588-T592 PolarHBondContact O-OG1 3.4Å |
| 589 | L | 64.2 | Low | 72.9 | Confident | 101 Ų | 101 | 83.2 Ų | 83.2 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.3 | -29.6 | -179.2 | -129.8 | 168.2 | 0 | 0 | 0 | 111.9 | D587 T592 | D587-L589 PolarHBondContact O-N 3.47Å; D587-L589 WeakPolarHBondContact OD1-CB 3.47Å; D587-L589 PolarHBondContact OD1-N 2.89Å; L589-T592 PolarHBondContact O-OG1 3.41Å |
| 590 | Q | 64.5 | Low | 73.4 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -77.1 | -41.6 | 169.5 | -162.1 | -176.6 | 10.9 | 0 | 0 | 110.9 | N583 D587 T592 L593 I594 | N583-Q590 PolarHBondContact O-NE2 3.24Å; N583-Q590 PolarHBondContact O-OE1 2.94Å; D587-Q590 HydrophobicContact CB-CB 4.13Å; D587-Q590 PolarHBondContact O-N 2.92Å; Q590-T592 PolarHBondContact O-N 3.36Å; Q590-L593 WeakPolarHBondContact O-CB 3.5Å; Q590-L593 PolarHBondContact O-N 3.48Å; Q590-L593 VanDerWaalsContact O-N 3.12Å; Q590-I594 HydrophobicContact CG-CD1 4.35Å; Q590-I594 WeakPolarHBondContact O-CD1 3.42Å; Q590-I594 WeakPolarHBondContact O-CG1 3.26Å; Q590-I594 PolarHBondContact O-N 3.39Å; Q590-I594 VanDerWaalsContact O-N 3.08Å |
| 591 | K | 69.3 | Low | 74 | Confident | 124 Ų | 124 | 86.3 Ų | 86.3 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 177.3 | -168.5 | 175.5 | 179 | -179.1 | 0 | 113 | D587 Q588 L593 I594 D595 | D587-K591 PolarHBondContact O-N 2.85Å; Q588-K591 PolarHBondContact O-N 3.39Å; K591-L593 PolarHBondContact O-N 2.97Å; K591-I594 WeakPolarHBondContact O-CB 3.42Å; K591-I594 PolarHBondContact O-N 2.97Å; K591-I594 VanDerWaalsContact O-N 3.08Å; K591-D595 PolarHBondContact O-N 3.36Å |
| 592 | T | 69 | Low | 74.5 | Confident | 77 Ų | 77 | 85.5 Ų | 85.5 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.9 | -14.5 | 176.6 | 48 | 0 | 0 | 0 | 0 | 114.4 | Q588 L589 Q590 K596 | Q588-T592 WeakPolarHBondContact O-CG2 3.35Å; Q588-T592 PolarHBondContact O-N 2.92Å; Q588-T592 PolarHBondContact O-OG1 3.4Å; L589-T592 PolarHBondContact O-OG1 3.41Å; Q590-T592 PolarHBondContact O-N 3.36Å; T592-K596 WeakPolarHBondContact O-CD 3.39Å; T592-K596 VanDerWaalsContact O-CG 3.28Å; T592-K596 WeakPolarHBondContact O-CG 3.38Å |
| 593 | L | 66.7 | Low | 75.2 | Confident | 66 Ų | 66 | 82.4 Ų | 82.4 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -82 | -39.8 | 166.4 | -82.4 | 164.3 | 0 | 0 | 0 | 111.8 | Q590 K591 K596 Y597 | Q590-L593 WeakPolarHBondContact O-CB 3.5Å; Q590-L593 PolarHBondContact O-N 3.48Å; Q590-L593 VanDerWaalsContact O-N 3.12Å; K591-L593 PolarHBondContact O-N 2.97Å; L593-K596 PolarHBondContact O-N 3.07Å; L593-Y597 PolarHBondContact O-N 3.18Å |
| 594 | I | 72.3 | Confident | 76.3 | Confident | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 175.8 | -66.8 | 153.3 | 0 | 0 | 0 | 110.5 | F577 L580 K581 Q590 K591 K596 Y597 | F577-I594 HydrophobicContact CE2-CG2 4.31Å; F577-I594 WeakPolarHBondContact CE2-O 3.48Å; L580-I594 HydrophobicContact CB-CG1 3.84Å; L580-I594 VanDerWaalsContact O-CD1 3.23Å; L580-I594 WeakPolarHBondContact O-CD1 3.31Å; K581-I594 HydrophobicContact CB-CG2 4.17Å; Q590-I594 HydrophobicContact CG-CD1 4.35Å; Q590-I594 WeakPolarHBondContact O-CD1 3.42Å; Q590-I594 WeakPolarHBondContact O-CG1 3.26Å; Q590-I594 PolarHBondContact O-N 3.39Å; Q590-I594 VanDerWaalsContact O-N 3.08Å; K591-I594 WeakPolarHBondContact O-CB 3.42Å; K591-I594 PolarHBondContact O-N 2.97Å; K591-I594 VanDerWaalsContact O-N 3.08Å; I594-K596 PolarHBondContact O-N 2.91Å; I594-K596 VanDerWaalsContact O-N 3.1Å; I594-Y597 PolarHBondContact O-N 3.42Å |
| 595 | D | 75.3 | Confident | 77.7 | Confident | 112 Ų | 112 | 78.8 Ų | 78.8 | 60% | 0.599 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.2 | 179.6 | -64.3 | -30.5 | 0 | 0 | 0 | 113 | K591 | K591-D595 PolarHBondContact O-N 3.36Š|
| 596 | K | 79.8 | Confident | 79.4 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -17.1 | 173.4 | -78 | -178.1 | 171.4 | -155.1 | 0 | 114 | E396 E399 T592 L593 I594 | E396-K596 HydrophobicContact CB-CB 4.18Å; E396-K596 HydrophobicContact CB-CD 3.84Å; E396-K596 HydrophobicContact CB-CG 3.89Å; E396-K596 HydrophobicContact CG-CD 3.69Å; E396-K596 HydrophobicContact CG-CG 4.05Å; E396-K596 VanDerWaalsContact CG-NZ 3.34Å; E399-K596 IonicContact OE2-NZ 3.85Å; T592-K596 WeakPolarHBondContact O-CD 3.39Å; T592-K596 VanDerWaalsContact O-CG 3.28Å; T592-K596 WeakPolarHBondContact O-CG 3.38Å; L593-K596 PolarHBondContact O-N 3.07Å; I594-K596 PolarHBondContact O-N 2.91Å; I594-K596 VanDerWaalsContact O-N 3.1Å |
| 597 | Y | 85 | Confident | 81.1 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -73.7 | 125.6 | -177 | -161.6 | -81 | 0 | 0 | 0 | 110 | A400 L573 Q576 F577 L580 L593 I594 T599 | A400-Y597 HydrophobicContact CB-CD2 3.75Å; A400-Y597 HydrophobicContact CB-CE2 4.34Å; A400-Y597 HydrophobicContact CB-CG 4.34Å; L573-Y597 HydrophobicContact CB-CE1 4.49Å; L573-Y597 HydrophobicContact CD2-CE1 3.65Å; Q576-Y597 HydrophobicContact CB-CE1 3.81Å; F577-Y597 HydrophobicContact CB-CD1 4.29Å; F577-Y597 WeakPolarHBondContact CD2-O 3.3Å; L580-Y597 HydrophobicContact CD1-CD1 4.43Å; L580-Y597 HydrophobicContact CD1-CD2 3.46Å; L580-Y597 VanDerWaalsContact CD1-CD2 3.46Å; L580-Y597 HydrophobicContact CD1-CE2 3.87Å; L580-Y597 HydrophobicContact CD1-CG 3.8Å; L593-Y597 PolarHBondContact O-N 3.18Å; I594-Y597 PolarHBondContact O-N 3.42Å; Y597-T599 PolarHBondContact O-N 3.24Å |
| 598 | P | 89.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.045 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 129.3 | -174.4 | 30 | -35.1 | 0 | 0 | 0 | 111.2 | P397 E401 L573 Q602 W603 | P397-P598 HydrophobicContact CB-CB 4.32Å; P397-P598 HydrophobicContact CB-CG 4.05Å; E401-P598 HydrophobicContact CG-CG 3.99Å; L573-P598 HydrophobicContact CD2-CG 4.42Å; P598-Q602 HydrophobicContact CB-CB 4.43Å; P598-W603 HydrophobicContact CB-CB 4.32Å |
| 599 | T | 92.3 | Very high | 83.7 | Confident | 32 Ų | 32 | 55 Ų | 55 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 155.1 | 159.6 | 58 | 0 | 0 | 0 | 0 | 110.1 | D574 F577 Y597 R601 Q602 W603 | D574-T599 VanDerWaalsContact OD1-CA 3.31Å; D574-T599 WeakPolarHBondContact OD1-CA 3.49Å; D574-T599 VanDerWaalsContact OD1-CB 3.23Å; D574-T599 WeakPolarHBondContact OD1-CB 3.49Å; F577-T599 HydrophobicContact CD1-CG2 4.37Å; F577-T599 HydrophobicContact CD2-CG2 4.37Å; F577-T599 HydrophobicContact CG-CG2 4.29Å; Y597-T599 PolarHBondContact O-N 3.24Å; T599-R601 PolarHBondContact O-N 3.36Å; T599-R601 VanDerWaalsContact O-N 3.14Å; T599-Q602 PolarHBondContact O-N 3.19Å; T599-Q602 WeakPolarHBondContact OG1-CB 3.47Å; T599-Q602 VanDerWaalsContact OG1-CD 3.28Å; T599-Q602 VanDerWaalsContact OG1-CG 3.3Å; T599-Q602 WeakPolarHBondContact OG1-CG 3.44Å; T599-Q602 PolarHBondContact OG1-N 2.92Å; T599-Q602 PolarHBondContact OG1-OE1 2.88Å; T599-W603 PolarHBondContact O-N 2.95Å |
| 600 | G | 93.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.5 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M570 D574 Y604 | M570-G600 WeakPolarHBondContact CG-O 3.17Å; D574-G600 PolarHBondContact OD1-N 3.39Å; G600-Y604 VanDerWaalsContact O-CB 3.27Å; G600-Y604 WeakPolarHBondContact O-CB 3.35Å; G600-Y604 PolarHBondContact O-N 3.13Å |
| 601 | R | 92.7 | Very high | 86.1 | Confident | 192 Ų | 192 | 48.4 Ų | 48.4 | 73% | 0.725 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -71.1 | -34.1 | 175.8 | -167.9 | 174.9 | -176.2 | -178.9 | 1.3 | 113.5 | T599 N605 | T599-R601 PolarHBondContact O-N 3.36Å; T599-R601 VanDerWaalsContact O-N 3.14Å; R601-N605 PolarHBondContact O-N 2.93Å; R601-N605 PolarHBondContact O-ND2 3.31Å |
| 602 | Q | 92.5 | Very high | 87.3 | Confident | 112 Ų | 112 | 42.5 Ų | 42.5 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.5 | -46.5 | 173.1 | -76.9 | 163 | -51.3 | 0 | 0 | 110.7 | P598 T599 Y604 N605 L606 | P598-Q602 HydrophobicContact CB-CB 4.43Å; T599-Q602 PolarHBondContact O-N 3.19Å; T599-Q602 WeakPolarHBondContact OG1-CB 3.47Å; T599-Q602 VanDerWaalsContact OG1-CD 3.28Å; T599-Q602 VanDerWaalsContact OG1-CG 3.3Å; T599-Q602 WeakPolarHBondContact OG1-CG 3.44Å; T599-Q602 PolarHBondContact OG1-N 2.92Å; T599-Q602 PolarHBondContact OG1-OE1 2.88Å; Q602-Y604 PolarHBondContact O-N 3.22Å; Q602-N605 PolarHBondContact O-N 3.36Å; Q602-L606 WeakPolarHBondContact O-CB 3.42Å; Q602-L606 PolarHBondContact O-N 2.88Å |
| 603 | W | 93.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.3 | -50.6 | 174.9 | 173.3 | 89.9 | 0 | 0 | 0 | 112 | E401 V566 K569 M570 L573 P598 T599 N605 L606 Q607 | E401-W603 VanDerWaalsContact OE1-CD1 3.22Å; V566-W603 HydrophobicContact CG1-CZ3 4.28Å; K569-W603 HydrophobicContact CB-CH2 4.01Å; K569-W603 HydrophobicContact CB-CZ2 4.42Å; K569-W603 HydrophobicContact CB-CZ3 4.23Å; K569-W603 HydrophobicContact CD-CZ2 4.47Å; K569-W603 HydrophobicContact CG-CD2 4.15Å; K569-W603 HydrophobicContact CG-CE3 4.15Å; K569-W603 HydrophobicContact CG-CH2 3.54Å; K569-W603 HydrophobicContact CG-CZ2 3.5Å; K569-W603 VanDerWaalsContact CG-CZ2 3.5Å; K569-W603 HydrophobicContact CG-CZ3 3.86Å; M570-W603 HydrophobicContact CG-CE3 3.92Å; M570-W603 HydrophobicContact CG-CZ3 3.99Å; L573-W603 HydrophobicContact CD1-CB 3.35Å; L573-W603 HydrophobicContact CD1-CD2 3.93Å; L573-W603 HydrophobicContact CD1-CG 3.38Å; P598-W603 HydrophobicContact CB-CB 4.32Å; T599-W603 PolarHBondContact O-N 2.95Å; W603-N605 VanDerWaalsContact C-N 3.27Å; W603-N605 PolarHBondContact O-N 2.64Å; W603-L606 PolarHBondContact O-N 3.4Å; W603-Q607 HydrophobicContact CD2-CG 3.94Å; W603-Q607 HydrophobicContact CG-CG 4.32Å; W603-Q607 HydrophobicContact CH2-CG 4.39Å; W603-Q607 HydrophobicContact CZ2-CG 3.82Å; W603-Q607 VanDerWaalsContact O-CG 3.3Å; W603-Q607 WeakPolarHBondContact O-CG 3.43Å; W603-Q607 PolarHBondContact O-N 3.48Å |
| 604 | Y | 94.8 | Very high | 89.4 | Confident | 31 Ų | 31 | 37.1 Ų | 37.1 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.4 | -38.1 | 179.8 | 178.1 | -103.1 | 0 | 0 | 0 | 113.1 | Y558 A559 I561 V566 M570 G600 Q602 | Y558-Y604 AromaticContact CD1-CD1 3.86Å; Y558-Y604 HydrophobicContact CD1-CD1 3.86Å; Y558-Y604 AromaticContact CD1-CE1 3.3Å; Y558-Y604 HydrophobicContact CD1-CE1 3.3Å; Y558-Y604 HydrophobicContact CD1-CE2 4.49Å; Y558-Y604 AromaticContact CD1-CZ 3.67Å; Y558-Y604 AromaticContact CE1-CD1 3.96Å; Y558-Y604 HydrophobicContact CE1-CD1 3.96Å; Y558-Y604 AromaticContact CE1-CE1 3.7Å; Y558-Y604 HydrophobicContact CE1-CE1 3.7Å; Y558-Y604 HydrophobicContact CG-CE1 4.16Å; A559-Y604 HydrophobicContact CB-CE2 4.38Å; A559-Y604 WeakPolarHBondContact O-CE2 3.29Å; A559-Y604 PolarHBondContact O-OH 3.45Å; I561-Y604 HydrophobicContact CB-CE2 4.45Å; I561-Y604 HydrophobicContact CD1-CE1 4.5Å; V566-Y604 HydrophobicContact CG1-CD2 3.78Å; V566-Y604 HydrophobicContact CG1-CE2 3.86Å; M570-Y604 HydrophobicContact CE-CG 4.39Å; M570-Y604 HydrophobicContact SD-CD2 3.8Å; M570-Y604 HydrophobicContact SD-CG 3.87Å; G600-Y604 VanDerWaalsContact O-CB 3.27Å; G600-Y604 WeakPolarHBondContact O-CB 3.35Å; G600-Y604 PolarHBondContact O-N 3.13Å; Q602-Y604 PolarHBondContact O-N 3.22Å |
| 605 | N | 93 | Very high | 90.3 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 25% | 0.251 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.8 | -49.7 | 171.9 | -74.4 | -55.4 | 0 | 0 | 0 | 111.8 | Y558 R601 Q602 W603 Q607 A608 W609 | Y558-N605 WeakPolarHBondContact CE1-OD1 3.17Å; Y558-N605 PolarHBondContact OH-OD1 2.73Å; R601-N605 PolarHBondContact O-N 2.93Å; R601-N605 PolarHBondContact O-ND2 3.31Å; Q602-N605 PolarHBondContact O-N 3.36Å; W603-N605 VanDerWaalsContact C-N 3.27Å; W603-N605 PolarHBondContact O-N 2.64Å; N605-Q607 PolarHBondContact O-N 3.43Å; N605-A608 WeakPolarHBondContact O-CB 3.38Å; N605-A608 PolarHBondContact O-N 3.04Å; N605-W609 PolarHBondContact O-N 2.85Å; N605-W609 VanDerWaalsContact O-N 3.12Å |
| 606 | L | 90.8 | Very high | 91 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 11% | 0.105 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.2 | -40.1 | -179.3 | -179.3 | 61.4 | 0 | 0 | 0 | 111.8 | P394 P397 Q602 W603 A608 W609 R610 | P394-L606 HydrophobicContact CG-CD1 4.44Å; P397-L606 HydrophobicContact CB-CD2 4.07Å; P397-L606 HydrophobicContact CG-CD2 3.95Å; Q602-L606 WeakPolarHBondContact O-CB 3.42Å; Q602-L606 PolarHBondContact O-N 2.88Å; W603-L606 PolarHBondContact O-N 3.4Å; L606-A608 VanDerWaalsContact C-N 3.31Å; L606-A608 PolarHBondContact O-N 3.41Å; L606-W609 PolarHBondContact O-N 3.15Å; L606-W609 VanDerWaalsContact O-N 3.17Å; L606-R610 HydrophobicContact CD1-CG 4.46Å; L606-R610 HydrophobicContact CG-CG 4.49Å; L606-R610 WeakPolarHBondContact O-CG 3.44Å; L606-R610 PolarHBondContact O-N 3.08Å |
| 607 | Q | 92 | Very high | 91.3 | Very high | 31 Ų | 31 | 29 Ų | 29 | 15% | 0.145 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -34.5 | 176.6 | -71.3 | -60.1 | -24.2 | 0 | 0 | 113.2 | R534 W603 N605 | R534-Q607 VanDerWaalsContact NH2-C 3.34Å; R534-Q607 PolarHBondContact NH2-O 3.14Å; W603-Q607 HydrophobicContact CD2-CG 3.94Å; W603-Q607 HydrophobicContact CG-CG 4.32Å; W603-Q607 HydrophobicContact CH2-CG 4.39Å; W603-Q607 HydrophobicContact CZ2-CG 3.82Å; W603-Q607 VanDerWaalsContact O-CG 3.3Å; W603-Q607 WeakPolarHBondContact O-CG 3.43Å; W603-Q607 PolarHBondContact O-N 3.48Å; N605-Q607 PolarHBondContact O-N 3.43Å |
| 608 | A | 93.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.7 | -40.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I556 P557 Y558 N605 L606 A611 I612 | I556-A608 HydrophobicContact CG2-CB 3.74Å; P557-A608 WeakPolarHBondContact CG-O 3.44Å; Y558-A608 HydrophobicContact CD1-CB 3.85Å; Y558-A608 HydrophobicContact CE1-CB 4.03Å; Y558-A608 HydrophobicContact CG-CB 4.25Å; N605-A608 WeakPolarHBondContact O-CB 3.38Å; N605-A608 PolarHBondContact O-N 3.04Å; L606-A608 VanDerWaalsContact C-N 3.31Å; L606-A608 PolarHBondContact O-N 3.41Å; A608-A611 PolarHBondContact O-N 3.07Å; A608-I612 PolarHBondContact O-N 2.79Å |
| 609 | W | 92.2 | Very high | 91.2 | Very high | 9 Ų | 9 | 29 Ų | 29 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.1 | -35.5 | 179.4 | -72.1 | 110.8 | 0 | 0 | 0 | 114.1 | I556 N605 L606 A611 I612 N613 F636 A641 N644 L645 | I556-W609 HydrophobicContact CD1-CZ2 4.39Å; N605-W609 PolarHBondContact O-N 2.85Å; N605-W609 VanDerWaalsContact O-N 3.12Å; L606-W609 PolarHBondContact O-N 3.15Å; L606-W609 VanDerWaalsContact O-N 3.17Å; W609-A611 VanDerWaalsContact C-N 3.32Å; W609-A611 PolarHBondContact O-N 3.22Å; W609-I612 HydrophobicContact CD2-CD1 4.21Å; W609-I612 HydrophobicContact CE3-CB 4.46Å; W609-I612 HydrophobicContact CE3-CD1 3.75Å; W609-I612 HydrophobicContact CZ3-CD1 3.97Å; W609-I612 PolarHBondContact O-N 2.88Å; W609-N613 WeakPolarHBondContact O-CB 3.47Å; W609-N613 PolarHBondContact O-N 3Å; W609-N613 PolarHBondContact O-ND2 2.88Å; W609-N613 VanDerWaalsContact O-ND2 3.12Å; W609-F636 AromaticContact CH2-CD1 3.54Å; W609-F636 HydrophobicContact CH2-CD1 3.54Å; W609-F636 AromaticContact CH2-CE1 3.61Å; W609-F636 HydrophobicContact CH2-CE1 3.61Å; W609-F636 AromaticContact CZ3-CD1 3.88Å; W609-F636 HydrophobicContact CZ3-CD1 3.88Å; W609-F636 AromaticContact CZ3-CE1 3.64Å; W609-F636 HydrophobicContact CZ3-CE1 3.64Å; W609-A641 HydrophobicContact CH2-CB 3.73Å; W609-A641 WeakPolarHBondContact CH2-O 3.28Å; W609-A641 HydrophobicContact CZ2-CB 3.59Å; W609-N644 HydrophobicContact CB-CB 4Å; W609-N644 HydrophobicContact CD2-CB 3.4Å; W609-N644 VanDerWaalsContact CD2-CB 3.4Å; W609-N644 HydrophobicContact CE3-CB 3.95Å; W609-N644 HydrophobicContact CG-CB 3.38Å; W609-N644 HydrophobicContact CZ2-CB 4.39Å; W609-L645 HydrophobicContact CE3-CD2 4.21Å; W609-L645 HydrophobicContact CZ3-CD2 3.8Å; W609-L645 HydrophobicContact CZ3-CG 4.03Å |
| 610 | R | 89.6 | Confident | 91 | Very high | 14 Ų | 14 | 28 Ų | 28 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.5 | -47.2 | 170.8 | -75.6 | -173.1 | -172.3 | -178.7 | 10 | 111.3 | H126 E129 L606 I612 N613 Q614 | H126-R610 PolarHBondContact O-NH1 3.44Å; E129-R610 IonicContact OE1-CZ 2.62Å; E129-R610 IonicContact OE1-NH1 3.61Å; E129-R610 PolarHBondContact OE1-NH1 3.39Å; E129-R610 IonicContact OE1-NH2 3.08Å; E129-R610 PolarHBondContact OE1-NH2 2.95Å; E129-R610 IonicContact OE2-NH1 2.7Å; E129-R610 PolarHBondContact OE2-NH1 3.13Å; L606-R610 HydrophobicContact CD1-CG 4.46Å; L606-R610 HydrophobicContact CG-CG 4.49Å; L606-R610 WeakPolarHBondContact O-CG 3.44Å; L606-R610 PolarHBondContact O-N 3.08Å; R610-I612 PolarHBondContact O-N 3.31Å; R610-N613 PolarHBondContact O-N 2.85Å; R610-Q614 VanDerWaalsContact O-CB 3.29Å; R610-Q614 WeakPolarHBondContact O-CB 3.47Å; R610-Q614 PolarHBondContact O-N 2.79Å |
| 611 | A | 91 | Very high | 90.7 | Very high | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R534 P557 A608 W609 A615 | R534-A611 HydrophobicContact CG-CB 3.78Å; P557-A611 HydrophobicContact CG-CB 3.84Å; A608-A611 PolarHBondContact O-N 3.07Å; W609-A611 VanDerWaalsContact C-N 3.32Å; W609-A611 PolarHBondContact O-N 3.22Å; A611-A615 WeakPolarHBondContact O-CB 3.24Å; A611-A615 PolarHBondContact O-N 3.09Å |
| 612 | I | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -52 | 171.8 | -67.1 | 160 | 0 | 0 | 0 | 110.3 | M533 I553 I556 P557 A608 W609 R610 Q614 A615 V616 F636 L645 | M533-I612 HydrophobicContact SD-CG1 4.03Å; I553-I612 HydrophobicContact CG2-CG1 4.22Å; I553-I612 HydrophobicContact CG2-CG2 4.31Å; I556-I612 HydrophobicContact CB-CD1 4.48Å; I556-I612 HydrophobicContact CG1-CD1 4.38Å; I556-I612 HydrophobicContact CG2-CD1 4.05Å; P557-I612 VanDerWaalsContact CD-CG1 3.46Å; P557-I612 HydrophobicContact CG-CD1 4.43Å; P557-I612 HydrophobicContact CG-CG1 3.91Å; A608-I612 PolarHBondContact O-N 2.79Å; W609-I612 HydrophobicContact CD2-CD1 4.21Å; W609-I612 HydrophobicContact CE3-CB 4.46Å; W609-I612 HydrophobicContact CE3-CD1 3.75Å; W609-I612 HydrophobicContact CZ3-CD1 3.97Å; W609-I612 PolarHBondContact O-N 2.88Å; R610-I612 PolarHBondContact O-N 3.31Å; I612-Q614 PolarHBondContact O-N 2.98Å; I612-A615 PolarHBondContact O-N 3.12Å; I612-V616 HydrophobicContact CG2-CG2 4.04Å; I612-V616 WeakPolarHBondContact O-CB 3.32Å; I612-V616 VanDerWaalsContact O-CG2 3.25Å; I612-V616 WeakPolarHBondContact O-CG2 3.3Å; I612-V616 PolarHBondContact O-N 3.32Å; I612-F636 HydrophobicContact CD1-CE1 3.92Å; I612-F636 HydrophobicContact CD1-CZ 4.06Å; I612-L645 HydrophobicContact CG2-CD2 4.25Å |
| 613 | N | 91.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 179.9 | -72.3 | -43.8 | 0 | 0 | 0 | 111.8 | T391 W609 R610 G617 N644 L645 A646 M649 | T391-N613 HydrophobicContact CG2-CB 3.93Å; W609-N613 WeakPolarHBondContact O-CB 3.47Å; W609-N613 PolarHBondContact O-N 3Å; W609-N613 PolarHBondContact O-ND2 2.88Å; W609-N613 VanDerWaalsContact O-ND2 3.12Å; R610-N613 PolarHBondContact O-N 2.85Å; N613-G617 PolarHBondContact O-N 2.92Å; N613-N644 PolarHBondContact ND2-O 3.12Å; N613-L645 WeakPolarHBondContact OD1-CA 3.13Å; N613-A646 PolarHBondContact OD1-N 3.44Å; N613-M649 WeakPolarHBondContact OD1-CE 3.4Å |
| 614 | Q | 89.2 | Confident | 90.5 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.7 | -41.2 | 175.9 | -169.3 | -149.5 | 49.1 | 0 | 0 | 113.1 | H126 S538 R610 I612 | H126-Q614 PolarHBondContact NE2-NE2 3.32Å; S538-Q614 VanDerWaalsContact O-CD 3.27Å; S538-Q614 WeakPolarHBondContact O-CG 3.35Å; S538-Q614 PolarHBondContact O-OE1 3.08Å; R610-Q614 VanDerWaalsContact O-CB 3.29Å; R610-Q614 WeakPolarHBondContact O-CB 3.47Å; R610-Q614 PolarHBondContact O-N 2.79Å; I612-Q614 PolarHBondContact O-N 2.98Å |
| 615 | A | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.3 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F469 M533 I553 A611 I612 R618 | F469-A615 HydrophobicContact CD1-CB 4.21Å; F469-A615 HydrophobicContact CD2-CB 4Å; F469-A615 HydrophobicContact CE1-CB 4.29Å; F469-A615 HydrophobicContact CE2-CB 4.08Å; F469-A615 HydrophobicContact CG-CB 4.06Å; F469-A615 HydrophobicContact CZ-CB 4.22Å; M533-A615 HydrophobicContact CG-CB 4.12Å; I553-A615 HydrophobicContact CD1-CB 4.03Å; A611-A615 WeakPolarHBondContact O-CB 3.24Å; A611-A615 PolarHBondContact O-N 3.09Å; I612-A615 PolarHBondContact O-N 3.12Å; A615-R618 WeakPolarHBondContact O-CB 3.42Å; A615-R618 VanDerWaalsContact O-CG 3.29Å; A615-R618 WeakPolarHBondContact O-CG 3.48Å; A615-R618 PolarHBondContact O-N 3Å |
| 616 | V | 89.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.7 | -35.3 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | V551 I553 I612 R618 V619 I629 L631 M649 | V551-V616 HydrophobicContact CG1-CG2 4.44Å; I553-V616 HydrophobicContact CD1-CG2 3.65Å; I553-V616 HydrophobicContact CG1-CG2 3.5Å; I612-V616 HydrophobicContact CG2-CG2 4.04Å; I612-V616 WeakPolarHBondContact O-CB 3.32Å; I612-V616 VanDerWaalsContact O-CG2 3.25Å; I612-V616 WeakPolarHBondContact O-CG2 3.3Å; I612-V616 PolarHBondContact O-N 3.32Å; V616-R618 PolarHBondContact O-N 2.83Å; V616-V619 WeakPolarHBondContact O-CG1 3.02Å; V616-V619 PolarHBondContact O-N 2.97Å; V616-I629 HydrophobicContact CG1-CB 4.49Å; V616-I629 HydrophobicContact CG1-CD1 3.27Å; V616-I629 HydrophobicContact CG1-CG1 3.74Å; V616-I629 HydrophobicContact CG1-CG2 3.93Å; V616-I629 HydrophobicContact CG2-CG2 4.12Å; V616-L631 HydrophobicContact CG2-CD2 4.42Å; V616-M649 HydrophobicContact CB-SD 4.35Å; V616-M649 HydrophobicContact CG1-CE 4.1Å; V616-M649 HydrophobicContact CG1-SD 3.35Å; V616-M649 WeakPolarHBondContact CG1-SD 3.31Å |
| 617 | G | 85.7 | Confident | 90.6 | Very high | 32 Ų | 32 | 24.9 Ų | 24.9 | 33% | 0.33 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 0.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N613 | N613-G617 PolarHBondContact O-N 2.92Š|
| 618 | R | 84 | Confident | 90.8 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 12% | 0.117 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.4 | 175.2 | -58.4 | -66.9 | 162.3 | -160.3 | -14.6 | 114.1 | L467 F469 S538 L541 A615 V616 R621 | L467-R618 HydrophobicContact CD1-CB 4.16Å; F469-R618 HydrophobicContact CZ-CG 4.47Å; S538-R618 PolarHBondContact O-NE 3.12Å; S538-R618 PolarHBondContact O-NH2 3.3Å; L541-R618 PolarHBondContact O-NH1 3.3Å; A615-R618 WeakPolarHBondContact O-CB 3.42Å; A615-R618 VanDerWaalsContact O-CG 3.29Å; A615-R618 WeakPolarHBondContact O-CG 3.48Å; A615-R618 PolarHBondContact O-N 3Å; V616-R618 PolarHBondContact O-N 2.83Å; R618-R621 PolarHBondContact O-NE 2.87Å; R618-R621 PolarHBondContact O-NH2 2.87Å |
| 619 | V | 88.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -90.1 | -5.3 | -171.2 | 84.7 | 0 | 0 | 0 | 0 | 115.4 | L421 G548 V551 V616 I629 | L421-V619 HydrophobicContact CD1-CG1 4.25Å; G548-V619 WeakPolarHBondContact O-CG2 3.3Å; V551-V619 HydrophobicContact CB-CG2 4.43Å; V551-V619 HydrophobicContact CG2-CB 3.68Å; V551-V619 HydrophobicContact CG2-CG2 3.77Å; V616-V619 WeakPolarHBondContact O-CG1 3.02Å; V616-V619 PolarHBondContact O-N 2.97Å; V619-I629 HydrophobicContact CG1-CD1 4.33Å; V619-I629 HydrophobicContact CG1-CG1 4.01Å |
| 620 | I | 88.9 | Confident | 91.2 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.062 | 11% | 0.106 | C | C | . | . | trans | -141 | 120.6 | 179.5 | -60.9 | -67.5 | 0 | 0 | 0 | 108.8 | I416 L421 D625 W648 | I416-I620 HydrophobicContact CD1-CD1 4.02Å; I416-I620 HydrophobicContact CD1-CG1 3.98Å; I416-I620 HydrophobicContact CD1-CG2 4.15Å; I416-I620 HydrophobicContact CG2-CG2 3.44Å; I416-I620 VanDerWaalsContact CG2-CG2 3.44Å; L421-I620 HydrophobicContact CD1-CD1 4.38Å; L421-I620 HydrophobicContact CD1-CG1 4.22Å; I620-D625 HydrophobicContact CG2-CB 4.3Å; I620-W648 HydrophobicContact CG1-CH2 4.34Å; I620-W648 HydrophobicContact CG1-CZ3 4.36Å | ||
| 621 | R | 87.5 | Confident | 91.6 | Very high | 63 Ų | 63 | 22.3 Ų | 22.3 | 24% | 0.238 | 10% | 0.104 | C | C | . | . | trans | -114.8 | -24.5 | -177.3 | -55.9 | -53.5 | -177.4 | 129.9 | 3.5 | 115.5 | L541 D542 L543 A544 R618 D625 | L541-R621 PolarHBondContact O-NH1 3.07Å; L541-R621 PolarHBondContact O-NH2 3.39Å; D542-R621 WeakPolarHBondContact OD1-CD 3.36Å; D542-R621 VanDerWaalsContact OD1-CG 3.25Å; D542-R621 WeakPolarHBondContact OD1-CG 3.21Å; D542-R621 IonicContact OD1-CZ 3.62Å; D542-R621 VanDerWaalsContact OD1-CZ 3.26Å; D542-R621 IonicContact OD1-NE 3.93Å; D542-R621 PolarHBondContact OD1-NE 3.12Å; D542-R621 IonicContact OD1-NH1 3.65Å; D542-R621 PolarHBondContact OD1-NH1 3Å; L543-R621 WeakPolarHBondContact O-CG 3.46Å; L543-R621 PolarHBondContact O-NE 2.88Å; A544-R621 VanDerWaalsContact CA-CG 3.48Å; A544-R621 HydrophobicContact CB-CB 3.79Å; A544-R621 HydrophobicContact CB-CG 3.78Å; R618-R621 PolarHBondContact O-NE 2.87Å; R618-R621 PolarHBondContact O-NH2 2.87Å; R621-D625 PolarHBondContact N-OD2 3.25Å | ||
| 622 | H | 89.8 | Confident | 91.9 | Very high | 61 Ų | 61 | 22 Ų | 22 | 28% | 0.282 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -146.6 | 169.5 | -179.2 | 53.5 | 81.3 | 0 | 0 | 0 | 112.1 | D545 K624 D625 | D545-H622 VanDerWaalsContact CG-CE1 3.5Å; D545-H622 IonicContact OD1-CE1 3.49Å; D545-H622 PolarHBondContact OD1-CE1 3.47Å; D545-H622 IonicContact OD1-NE2 3.73Å; D545-H622 PolarHBondContact OD1-NE2 2.89Å; D545-H622 VanDerWaalsContact OD1-NE2 3.09Å; D545-H622 IonicContact OD2-CD2 3.44Å; D545-H622 IonicContact OD2-CE1 2.73Å; D545-H622 PolarHBondContact OD2-CE1 3.43Å; D545-H622 VanDerWaalsContact OD2-CE1 3.25Å; D545-H622 IonicContact OD2-NE2 3.85Å; D545-H622 PolarHBondContact OD2-NE2 2.73Å; H622-K624 PolarHBondContact ND1-N 3.43Å; H622-K624 PolarHBondContact O-N 3.03Å; H622-K624 VanDerWaalsContact O-N 3.08Å; H622-D625 PolarHBondContact CE1-N 3.11Å; H622-D625 PolarHBondContact ND1-N 3.05Å; H622-D625 VanDerWaalsContact O-CB 3.29Å; H622-D625 WeakPolarHBondContact O-CB 3.32Å; H622-D625 PolarHBondContact O-N 3.1Å |
| 623 | Y | 91.4 | Very high | 92 | Very high | 143 Ų | 143 | 22 Ų | 22 | 56% | 0.561 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.2 | -174.5 | 75.8 | -76.8 | 0 | 0 | 0 | 115.2 | V415 Q420 | V415-Y623 WeakPolarHBondContact O-CA 3.48Å; V415-Y623 WeakPolarHBondContact O-CB 3.27Å; Q420-Y623 PolarHBondContact NE2-O 3.46Å |
| 624 | K | 91.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 23.9 Ų | 23.9 | 35% | 0.352 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -8.9 | 174 | -69.9 | -176.2 | 173.7 | -177.7 | 0 | 113.7 | H622 Y677 | H622-K624 PolarHBondContact ND1-N 3.43Å; H622-K624 PolarHBondContact O-N 3.03Å; H622-K624 VanDerWaalsContact O-N 3.08Å; K624-Y677 HydrophobicContact CB-CD1 4.08Å; K624-Y677 HydrophobicContact CG-CD1 4.33Å; K624-Y677 WeakPolarHBondContact O-CD1 3.43Å |
| 625 | D | 92.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | trans | -72.4 | 153.6 | -174.9 | -152.5 | -1.4 | 0 | 0 | 0 | 110.9 | Q420 D545 R549 I620 R621 H622 | Q420-D625 PolarHBondContact NE2-O 2.87Å; D545-D625 PolarHBondContact N-OD1 3.21Å; D545-D625 PolarHBondContact N-OD2 3.02Å; R549-D625 IonicContact CZ-OD1 2.68Å; R549-D625 IonicContact NH1-OD1 2.7Å; R549-D625 PolarHBondContact NH1-OD1 3.09Å; I620-D625 HydrophobicContact CG2-CB 4.3Å; R621-D625 PolarHBondContact N-OD2 3.25Å; H622-D625 PolarHBondContact CE1-N 3.11Å; H622-D625 PolarHBondContact ND1-N 3.05Å; H622-D625 VanDerWaalsContact O-CB 3.29Å; H622-D625 WeakPolarHBondContact O-CB 3.32Å; H622-D625 PolarHBondContact O-N 3.1Å | ||
| 626 | Y | 94.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | trans | -152 | 146.6 | -178.2 | 60.9 | -93.1 | 0 | 0 | 0 | 111.1 | Q420 R549 F669 F670 M673 Y677 | Q420-Y626 WeakPolarHBondContact O-CA 3.38Å; Q420-Y626 WeakPolarHBondContact O-CB 3.41Å; R549-Y626 WeakPolarHBondContact CD-O 3.22Å; R549-Y626 PolarHBondContact NH1-O 3.47Å; Y626-F669 HydrophobicContact CD2-CE1 4.43Å; Y626-F670 HydrophobicContact CD2-CD1 4.37Å; Y626-F670 HydrophobicContact CD2-CE1 4.45Å; Y626-F670 HydrophobicContact CE2-CD1 4.09Å; Y626-F670 HydrophobicContact CE2-CE1 4.46Å; Y626-M673 HydrophobicContact CD1-CB 4.1Å; Y626-M673 HydrophobicContact CD2-CB 3.37Å; Y626-M673 HydrophobicContact CD2-CG 3.8Å; Y626-M673 HydrophobicContact CE1-CB 4.26Å; Y626-M673 HydrophobicContact CE2-CB 3.57Å; Y626-M673 HydrophobicContact CE2-CG 4.46Å; Y626-M673 HydrophobicContact CG-CB 3.66Å; Y626-M673 HydrophobicContact CG-CG 3.92Å; Y626-M673 HydrophobicContact CG-SD 4.48Å; Y626-Y677 HydrophobicContact CD1-CD2 4.4Å; Y626-Y677 HydrophobicContact CD1-CG 4.28Å; Y626-Y677 WeakPolarHBondContact CE1-O 3.36Å | ||
| 627 | G | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q420 R549 F669 | Q420-G627 PolarHBondContact O-N 3.5Å; R549-G627 CarbonylContact O-C 3.56Å; R549-G627 WeakPolarHBondContact O-CA 3.4Å; G627-F669 WeakPolarHBondContact O-CZ 3.37Å |
| 628 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.1 | -171.6 | -115.5 | 175.2 | 0 | 0 | 0 | 111.3 | N422 V462 R549 G550 V551 Y630 T666 F669 F670 | N422-I628 HydrophobicContact CB-CD1 4.15Å; N422-I628 HydrophobicContact CB-CG1 3.69Å; N422-I628 WeakPolarHBondContact O-CA 3.11Å; N422-I628 WeakPolarHBondContact O-CG1 3.45Å; V462-I628 HydrophobicContact CG2-CG2 4.48Å; R549-I628 PolarHBondContact O-N 3.4Å; G550-I628 CarbonylContact C-O 3.45Å; G550-I628 WeakPolarHBondContact CA-O 3.31Å; V551-I628 PolarHBondContact N-O 2.85Å; I628-Y630 HydrophobicContact CG2-CD2 3.92Å; I628-Y630 HydrophobicContact CG2-CE1 3.95Å; I628-Y630 HydrophobicContact CG2-CE2 3.28Å; I628-Y630 WeakPolarHBondContact CG2-OH 3.34Å; I628-T666 HydrophobicContact CD1-CG2 3.8Å; I628-F669 HydrophobicContact CB-CE1 4.35Å; I628-F669 HydrophobicContact CD1-CB 4.22Å; I628-F669 HydrophobicContact CD1-CD1 3.59Å; I628-F669 HydrophobicContact CD1-CE1 4.2Å; I628-F669 HydrophobicContact CD1-CG 4.05Å; I628-F669 HydrophobicContact CG1-CD1 3.8Å; I628-F669 HydrophobicContact CG1-CE1 3.91Å; I628-F669 HydrophobicContact CG1-CG 4.37Å; I628-F670 HydrophobicContact CB-CE2 4.31Å; I628-F670 HydrophobicContact CB-CZ 3.99Å; I628-F670 HydrophobicContact CD1-CE2 3.97Å; I628-F670 HydrophobicContact CD1-CZ 4.39Å; I628-F670 HydrophobicContact CG2-CZ 4.48Å |
| 629 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.6 | 179.9 | -55.7 | 157.7 | 0 | 0 | 0 | 109.3 | L421 N422 L423 S424 V551 V616 V619 L631 M649 | L421-I629 HydrophobicContact CD1-CD1 3.63Å; L421-I629 HydrophobicContact CD1-CG1 4.21Å; L421-I629 HydrophobicContact CD2-CD1 3.93Å; L421-I629 HydrophobicContact CG-CD1 4.07Å; N422-I629 PolarHBondContact O-N 3.2Å; L423-I629 WeakPolarHBondContact CA-O 3.24Å; L423-I629 HydrophobicContact CB-CB 4.39Å; L423-I629 HydrophobicContact CB-CD1 4.49Å; L423-I629 HydrophobicContact CD1-CD1 4.08Å; L423-I629 HydrophobicContact CD1-CG2 4.45Å; L423-I629 HydrophobicContact CG-CB 3.99Å; L423-I629 HydrophobicContact CG-CD1 4.3Å; L423-I629 HydrophobicContact CG-CG2 4.09Å; S424-I629 PolarHBondContact N-O 2.87Å; V551-I629 CarbonylContact O-C 3.59Å; V551-I629 WeakPolarHBondContact O-CA 3.38Å; V616-I629 HydrophobicContact CG1-CB 4.49Å; V616-I629 HydrophobicContact CG1-CD1 3.27Å; V616-I629 HydrophobicContact CG1-CG1 3.74Å; V616-I629 HydrophobicContact CG1-CG2 3.93Å; V616-I629 HydrophobicContact CG2-CG2 4.12Å; V619-I629 HydrophobicContact CG1-CD1 4.33Å; V619-I629 HydrophobicContact CG1-CG1 4.01Å; I629-L631 HydrophobicContact CG2-CD2 3.74Å; I629-L631 HydrophobicContact CG2-CG 4.22Å; I629-M649 HydrophobicContact CD1-SD 3.85Å |
| 630 | Y | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.1 | 174.1 | -55.4 | -67.2 | 0 | 0 | 0 | 110.5 | S424 I426 L458 V462 V551 F552 I553 I628 V662 T666 | S424-Y630 WeakPolarHBondContact O-CA 3.46Å; I426-Y630 HydrophobicContact CD1-CD1 3.85Å; I426-Y630 HydrophobicContact CD1-CG 4.37Å; L458-Y630 HydrophobicContact CB-CE2 4.5Å; L458-Y630 HydrophobicContact CD1-CD1 4.11Å; L458-Y630 HydrophobicContact CD1-CE1 3.96Å; L458-Y630 HydrophobicContact CD1-CE2 4.37Å; L458-Y630 HydrophobicContact CD1-CG 4.4Å; L458-Y630 HydrophobicContact CD2-CE1 4.32Å; V462-Y630 HydrophobicContact CG2-CE2 3.97Å; V551-Y630 PolarHBondContact O-N 3.28Å; F552-Y630 HydrophobicContact CD1-CD2 4.02Å; F552-Y630 HydrophobicContact CD1-CG 4.17Å; F552-Y630 AromaticContact CD2-CD2 3.75Å; F552-Y630 HydrophobicContact CD2-CD2 3.75Å; F552-Y630 HydrophobicContact CD2-CE2 4.42Å; F552-Y630 AromaticContact CE1-CD2 3.6Å; F552-Y630 HydrophobicContact CE1-CD2 3.6Å; F552-Y630 HydrophobicContact CE1-CE2 4.41Å; F552-Y630 AromaticContact CE1-CG 3.75Å; F552-Y630 HydrophobicContact CE1-CG 3.75Å; F552-Y630 AromaticContact CE2-CD2 3.31Å; F552-Y630 HydrophobicContact CE2-CD2 3.31Å; F552-Y630 AromaticContact CE2-CE2 3.64Å; F552-Y630 HydrophobicContact CE2-CE2 3.64Å; F552-Y630 HydrophobicContact CE2-CG 4.28Å; F552-Y630 HydrophobicContact CG-CD2 4.07Å; F552-Y630 AromaticContact CZ-CD2 3.21Å; F552-Y630 HydrophobicContact CZ-CD2 3.21Å; F552-Y630 AromaticContact CZ-CE2 3.62Å; F552-Y630 HydrophobicContact CZ-CE2 3.62Å; F552-Y630 AromaticContact CZ-CG 3.8Å; F552-Y630 HydrophobicContact CZ-CG 3.8Å; I553-Y630 PolarHBondContact N-O 2.64Å; I628-Y630 HydrophobicContact CG2-CD2 3.92Å; I628-Y630 HydrophobicContact CG2-CE1 3.95Å; I628-Y630 HydrophobicContact CG2-CE2 3.28Å; I628-Y630 WeakPolarHBondContact CG2-OH 3.34Å; Y630-V662 HydrophobicContact CD1-CG1 4Å; Y630-V662 HydrophobicContact CE1-CG1 3.49Å; Y630-V662 VanDerWaalsContact CE1-CG1 3.49Å; Y630-T666 WeakPolarHBondContact OH-CG2 3.47Å; Y630-T666 PolarHBondContact OH-OG1 2.68Å |
| 631 | L | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 100 | 175.9 | -57.7 | -170.6 | 0 | 0 | 0 | 109.3 | L423 S424 I425 I426 I553 V616 I629 D633 F636 L645 | L423-L631 HydrophobicContact CD1-CD1 4.46Å; L423-L631 HydrophobicContact CD2-CD1 3.76Å; L423-L631 HydrophobicContact CD2-CG 3.94Å; L423-L631 HydrophobicContact CG-CD1 4.5Å; S424-L631 PolarHBondContact O-N 2.9Å; I425-L631 HydrophobicContact CG1-CB 4.17Å; I425-L631 HydrophobicContact CG1-CD1 4.24Å; I426-L631 PolarHBondContact N-O 3.3Å; I553-L631 HydrophobicContact CB-CD2 3.69Å; I553-L631 HydrophobicContact CG1-CD2 3.61Å; I553-L631 HydrophobicContact CG2-CD2 4.3Å; V616-L631 HydrophobicContact CG2-CD2 4.42Å; I629-L631 HydrophobicContact CG2-CD2 3.74Å; I629-L631 HydrophobicContact CG2-CG 4.22Å; L631-D633 PolarHBondContact O-N 3.14Å; L631-F636 HydrophobicContact CB-CB 4.15Å; L631-F636 HydrophobicContact CB-CD1 4.02Å; L631-F636 HydrophobicContact CB-CD2 3.66Å; L631-F636 HydrophobicContact CB-CE1 4.35Å; L631-F636 HydrophobicContact CB-CE2 4.02Å; L631-F636 HydrophobicContact CB-CG 3.7Å; L631-F636 HydrophobicContact CB-CZ 4.36Å; L631-F636 HydrophobicContact CD1-CD1 3.71Å; L631-F636 HydrophobicContact CD1-CE1 4.07Å; L631-F636 HydrophobicContact CD1-CG 4.17Å; L631-F636 HydrophobicContact CD2-CE1 4.44Å; L631-F636 HydrophobicContact CD2-CZ 4.5Å; L631-F636 HydrophobicContact CG-CD1 4.38Å; L631-L645 HydrophobicContact CD1-CD1 3.83Å; L631-L645 HydrophobicContact CD1-CD2 4.02Å |
| 632 | C | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -102.3 | 65.6 | -163.8 | -61 | 0 | 0 | 0 | 0 | 112.3 | I426 L435 L454 F552 I553 L554 | I426-C632 WeakPolarHBondContact O-CA 3.4Å; L435-C632 HydrophobicContact CD1-CB 4.44Å; L454-C632 HydrophobicContact CD2-CB 4.26Å; F552-C632 VanDerWaalsContact CD1-SG 3.54Å; I553-C632 PolarHBondContact O-N 3.32Å; L554-C632 HydrophobicContact CD2-CB 3.82Å | ||
| 633 | D | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -159.6 | 138.4 | 173.4 | -166 | -72.7 | 0 | 0 | 0 | 110.4 | I426 L435 A437 L631 R635 F636 | I426-D633 PolarHBondContact O-N 3Å; L435-D633 CarbonylContact O-C 3.41Å; L435-D633 VanDerWaalsContact O-CA 3.25Å; L435-D633 WeakPolarHBondContact O-CA 3.38Å; A437-D633 WeakPolarHBondContact CB-OD2 3.43Å; A437-D633 PolarHBondContact N-OD2 3.08Å; L631-D633 PolarHBondContact O-N 3.14Å; D633-R635 PolarHBondContact O-N 3.11Å; D633-R635 VanDerWaalsContact O-N 3.11Å; D633-R635 VanDerWaalsContact OD1-CB 3.26Å; D633-R635 WeakPolarHBondContact OD1-CB 3.5Å; D633-R635 VanDerWaalsContact OD1-CG 3.27Å; D633-R635 WeakPolarHBondContact OD1-CG 3.32Å; D633-R635 IonicContact OD1-CZ 2.76Å; D633-R635 PolarHBondContact OD1-N 2.73Å; D633-R635 IonicContact OD1-NE 2.73Å; D633-R635 PolarHBondContact OD1-NE 3.27Å; D633-R635 IonicContact OD1-NH2 2.67Å; D633-R635 IonicContact OD2-CZ 2.61Å; D633-R635 IonicContact OD2-NE 3.8Å; D633-R635 PolarHBondContact OD2-NE 2.9Å; D633-R635 IonicContact OD2-NH2 3.54Å; D633-R635 PolarHBondContact OD2-NH2 3.4Å; D633-F636 HydrophobicContact CB-CD2 3.51Å; D633-F636 HydrophobicContact CB-CE2 3.64Å; D633-F636 WeakPolarHBondContact O-CB 3.31Å; D633-F636 WeakPolarHBondContact O-CD2 3.18Å; D633-F636 PolarHBondContact O-N 3.25Å; D633-F636 VanDerWaalsContact O-N 3.12Å |
| 634 | E | 95.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 36 Ų | 36 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -60.1 | -25.3 | -178.8 | 71 | 174.8 | 154.3 | 0 | 0 | 113.6 | P427 K434 L435 N436 F636 A637 | P427-E634 HydrophobicContact CB-CB 3.84Å; K434-E634 WeakPolarHBondContact CE-OE2 3.46Å; K434-E634 IonicContact NZ-OE1 3.47Å; K434-E634 IonicContact NZ-OE2 2.79Å; K434-E634 PolarHBondContact NZ-OE2 2.83Å; L435-E634 PolarHBondContact O-N 3.14Å; N436-E634 HydrophobicContact CB-CG 4.24Å; N436-E634 PolarHBondContact ND2-OE1 2.92Å; E634-F636 VanDerWaalsContact C-N 3.26Å; E634-F636 PolarHBondContact O-N 3.23Å; E634-A637 WeakPolarHBondContact O-CB 3.44Å; E634-A637 PolarHBondContact O-N 3.18Å |
| 635 | R | 95.2 | Very high | 93.6 | Very high | 61 Ų | 61 | 32.4 Ų | 32.4 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -65.1 | -28.9 | 178.9 | -65.4 | 172.8 | -72.6 | 174.4 | -3.6 | 112.6 | I556 D633 A637 S638 A641 | I556-R635 HydrophobicContact CD1-CB 3.84Å; D633-R635 PolarHBondContact O-N 3.11Å; D633-R635 VanDerWaalsContact O-N 3.11Å; D633-R635 VanDerWaalsContact OD1-CB 3.26Å; D633-R635 WeakPolarHBondContact OD1-CB 3.5Å; D633-R635 VanDerWaalsContact OD1-CG 3.27Å; D633-R635 WeakPolarHBondContact OD1-CG 3.32Å; D633-R635 IonicContact OD1-CZ 2.76Å; D633-R635 PolarHBondContact OD1-N 2.73Å; D633-R635 IonicContact OD1-NE 2.73Å; D633-R635 PolarHBondContact OD1-NE 3.27Å; D633-R635 IonicContact OD1-NH2 2.67Å; D633-R635 IonicContact OD2-CZ 2.61Å; D633-R635 IonicContact OD2-NE 3.8Å; D633-R635 PolarHBondContact OD2-NE 2.9Å; D633-R635 IonicContact OD2-NH2 3.54Å; D633-R635 PolarHBondContact OD2-NH2 3.4Å; R635-A637 PolarHBondContact O-N 2.86Å; R635-S638 PolarHBondContact O-N 3.46Å; R635-S638 PolarHBondContact O-OG 3.22Å; R635-A641 WeakPolarHBondContact O-CB 3.17Å |
| 636 | F | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -63.3 | -26.3 | 176.4 | -71.7 | -68.6 | 0 | 0 | 0 | 113 | I425 I553 I556 W609 I612 L631 D633 E634 S638 Q642 | I425-F636 HydrophobicContact CG1-CB 4.29Å; I425-F636 HydrophobicContact CG2-CB 3.7Å; I553-F636 HydrophobicContact CG2-CE2 4.34Å; I553-F636 HydrophobicContact CG2-CZ 3.79Å; I556-F636 HydrophobicContact CG1-CE1 4.19Å; I556-F636 HydrophobicContact CG1-CE2 4.25Å; I556-F636 HydrophobicContact CG1-CZ 3.83Å; W609-F636 AromaticContact CH2-CD1 3.54Å; W609-F636 HydrophobicContact CH2-CD1 3.54Å; W609-F636 AromaticContact CH2-CE1 3.61Å; W609-F636 HydrophobicContact CH2-CE1 3.61Å; W609-F636 AromaticContact CZ3-CD1 3.88Å; W609-F636 HydrophobicContact CZ3-CD1 3.88Å; W609-F636 AromaticContact CZ3-CE1 3.64Å; W609-F636 HydrophobicContact CZ3-CE1 3.64Å; I612-F636 HydrophobicContact CD1-CE1 3.92Å; I612-F636 HydrophobicContact CD1-CZ 4.06Å; L631-F636 HydrophobicContact CB-CB 4.15Å; L631-F636 HydrophobicContact CB-CD1 4.02Å; L631-F636 HydrophobicContact CB-CD2 3.66Å; L631-F636 HydrophobicContact CB-CE1 4.35Å; L631-F636 HydrophobicContact CB-CE2 4.02Å; L631-F636 HydrophobicContact CB-CG 3.7Å; L631-F636 HydrophobicContact CB-CZ 4.36Å; L631-F636 HydrophobicContact CD1-CD1 3.71Å; L631-F636 HydrophobicContact CD1-CE1 4.07Å; L631-F636 HydrophobicContact CD1-CG 4.17Å; L631-F636 HydrophobicContact CD2-CE1 4.44Å; L631-F636 HydrophobicContact CD2-CZ 4.5Å; L631-F636 HydrophobicContact CG-CD1 4.38Å; D633-F636 HydrophobicContact CB-CD2 3.51Å; D633-F636 HydrophobicContact CB-CE2 3.64Å; D633-F636 WeakPolarHBondContact O-CB 3.31Å; D633-F636 WeakPolarHBondContact O-CD2 3.18Å; D633-F636 PolarHBondContact O-N 3.25Å; D633-F636 VanDerWaalsContact O-N 3.12Å; E634-F636 VanDerWaalsContact C-N 3.26Å; E634-F636 PolarHBondContact O-N 3.23Å; F636-S638 PolarHBondContact O-N 2.86Å; F636-Q642 WeakPolarHBondContact O-CG 3.39Å |
| 637 | A | 94.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 34.2 Ų | 34.2 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -68.1 | -20.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I425 E634 R635 Q642 V655 | I425-A637 HydrophobicContact CG2-CB 4.2Å; E634-A637 WeakPolarHBondContact O-CB 3.44Å; E634-A637 PolarHBondContact O-N 3.18Å; R635-A637 PolarHBondContact O-N 2.86Å; A637-Q642 PolarHBondContact O-NE2 3.11Å; A637-V655 HydrophobicContact CB-CG1 3.95Å; A637-V655 HydrophobicContact CB-CG2 4.23Å |
| 638 | S | 93.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 37 Ų | 37 | 42% | 0.42 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -72.2 | 137.9 | -179.2 | 69 | 0 | 0 | 0 | 0 | 112.8 | R635 F636 N640 A641 Q642 | R635-S638 PolarHBondContact O-N 3.46Å; R635-S638 PolarHBondContact O-OG 3.22Å; F636-S638 PolarHBondContact O-N 2.86Å; S638-N640 PolarHBondContact O-N 3.14Å; S638-N640 VanDerWaalsContact O-N 3.15Å; S638-A641 WeakPolarHBondContact O-CA 3.23Å; S638-A641 WeakPolarHBondContact O-CB 3.27Å; S638-A641 PolarHBondContact O-N 2.83Å; S638-A641 VanDerWaalsContact OG-CB 3.24Å; S638-A641 WeakPolarHBondContact OG-CB 3.38Å; S638-A641 PolarHBondContact OG-N 2.83Å; S638-Q642 PolarHBondContact O-N 3.08Å |
| 639 | N | 90.5 | Very high | 92 | Very high | 128 Ų | 128 | 37 Ų | 37 | 68% | 0.684 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.2 | -37.3 | -179.4 | -64.9 | 9.2 | 0 | 0 | 0 | 112.6 | A641 Q642 L643 | N639-A641 VanDerWaalsContact C-N 3.35Å; N639-A641 PolarHBondContact O-N 3.21Å; N639-Q642 PolarHBondContact O-N 3.08Å; N639-L643 WeakPolarHBondContact O-CG 3.35Å; N639-L643 PolarHBondContact O-N 2.92Å |
| 640 | N | 89.2 | Confident | 91.4 | Very high | 120 Ų | 120 | 40.3 Ų | 40.3 | 64% | 0.642 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.7 | -36.9 | 176.6 | -171.9 | 46.5 | 0 | 0 | 0 | 112.4 | S638 N644 | S638-N640 PolarHBondContact O-N 3.14Å; S638-N640 VanDerWaalsContact O-N 3.15Å; N640-N644 PolarHBondContact O-ND2 3.46Å |
| 641 | A | 90.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W609 R635 S638 N639 L643 N644 | W609-A641 HydrophobicContact CH2-CB 3.73Å; W609-A641 WeakPolarHBondContact CH2-O 3.28Å; W609-A641 HydrophobicContact CZ2-CB 3.59Å; R635-A641 WeakPolarHBondContact O-CB 3.17Å; S638-A641 WeakPolarHBondContact O-CA 3.23Å; S638-A641 WeakPolarHBondContact O-CB 3.27Å; S638-A641 PolarHBondContact O-N 2.83Å; S638-A641 VanDerWaalsContact OG-CB 3.24Å; S638-A641 WeakPolarHBondContact OG-CB 3.38Å; S638-A641 PolarHBondContact OG-N 2.83Å; N639-A641 VanDerWaalsContact C-N 3.35Å; N639-A641 PolarHBondContact O-N 3.21Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.74Å; A641-N644 PolarHBondContact O-N 2.94Å |
| 642 | Q | 91.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 179.4 | -61.8 | 179.7 | 40.2 | 0 | 0 | 112.8 | I425 F636 A637 S638 N639 N644 L645 | I425-Q642 HydrophobicContact CD1-CG 3.96Å; F636-Q642 WeakPolarHBondContact O-CG 3.39Å; A637-Q642 PolarHBondContact O-NE2 3.11Å; S638-Q642 PolarHBondContact O-N 3.08Å; N639-Q642 PolarHBondContact O-N 3.08Å; Q642-N644 PolarHBondContact O-N 3.26Å; Q642-L645 WeakPolarHBondContact O-CB 3.45Å; Q642-L645 PolarHBondContact O-N 2.93Å; Q642-L645 VanDerWaalsContact O-N 3.14Å |
| 643 | L | 88.9 | Confident | 89.4 | Confident | 117 Ų | 117 | 49.9 Ų | 49.9 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.4 | 176.3 | -74.1 | 170.1 | 0 | 0 | 0 | 114.6 | N639 A641 Q650 | N639-L643 WeakPolarHBondContact O-CG 3.35Å; N639-L643 PolarHBondContact O-N 2.92Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.74Å; L643-Q650 PolarHBondContact O-NE2 2.88Å |
| 644 | N | 89.3 | Confident | 89.2 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -7.4 | 176.3 | -73.3 | -96.5 | 0 | 0 | 0 | 113.5 | W609 N613 N640 A641 Q642 | W609-N644 HydrophobicContact CB-CB 4Å; W609-N644 HydrophobicContact CD2-CB 3.4Å; W609-N644 VanDerWaalsContact CD2-CB 3.4Å; W609-N644 HydrophobicContact CE3-CB 3.95Å; W609-N644 HydrophobicContact CG-CB 3.38Å; W609-N644 HydrophobicContact CZ2-CB 4.39Å; N613-N644 PolarHBondContact ND2-O 3.12Å; N640-N644 PolarHBondContact O-ND2 3.46Å; A641-N644 PolarHBondContact O-N 2.94Å; Q642-N644 PolarHBondContact O-N 3.26Å |
| 645 | L | 89.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -71.5 | 149.2 | 169.1 | -67.3 | 169.3 | 0 | 0 | 0 | 110.2 | L423 W609 I612 N613 L631 Q642 G647 M649 Q650 C653 | L423-L645 HydrophobicContact CD1-CD1 4.26Å; W609-L645 HydrophobicContact CE3-CD2 4.21Å; W609-L645 HydrophobicContact CZ3-CD2 3.8Å; W609-L645 HydrophobicContact CZ3-CG 4.03Å; I612-L645 HydrophobicContact CG2-CD2 4.25Å; N613-L645 WeakPolarHBondContact OD1-CA 3.13Å; L631-L645 HydrophobicContact CD1-CD1 3.83Å; L631-L645 HydrophobicContact CD1-CD2 4.02Å; Q642-L645 WeakPolarHBondContact O-CB 3.45Å; Q642-L645 PolarHBondContact O-N 2.93Å; Q642-L645 VanDerWaalsContact O-N 3.14Å; L645-G647 PolarHBondContact O-N 2.8Å; L645-M649 HydrophobicContact CB-CE 4.24Å; L645-M649 HydrophobicContact CD2-CE 4.12Å; L645-Q650 HydrophobicContact CB-CG 4.37Å; L645-Q650 WeakPolarHBondContact O-CG 3.46Å; L645-Q650 PolarHBondContact O-NE2 3.17Å; L645-C653 VanDerWaalsContact CD1-SG 3.58Å |
| 646 | A | 85.9 | Confident | 89.1 | Confident | 22 Ų | 22 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -56.4 | 137.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N613 W648 M649 | N613-A646 PolarHBondContact OD1-N 3.44Å; A646-W648 PolarHBondContact O-N 3.42Å; A646-M649 HydrophobicContact CB-CE 3.81Å; A646-M649 WeakPolarHBondContact O-CB 3.46Å; A646-M649 PolarHBondContact O-N 3.17Å | ||
| 647 | G | 83.9 | Confident | 88.7 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -17.7 | -166 | 0 | 0 | 0 | 0 | 0 | 116.9 | L645 M649 | L645-G647 PolarHBondContact O-N 2.8Å; G647-M649 VanDerWaalsContact C-N 3.3Å |
| 648 | W | 84.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75 | -19.8 | 174.2 | 66.4 | -87.6 | 0 | 0 | 0 | 113.5 | H414 I416 L421 I620 A646 | H414-W648 HydrophobicContact CB-CB 3.59Å; H414-W648 HydrophobicContact CB-CD2 4.37Å; H414-W648 HydrophobicContact CB-CG 3.94Å; H414-W648 AromaticContact CD2-CD1 3.7Å; H414-W648 AromaticContact CD2-CD2 3.61Å; H414-W648 AromaticContact CD2-CE2 3.75Å; H414-W648 AromaticContact CD2-CG 3.64Å; H414-W648 AromaticContact CD2-NE1 3.77Å; H414-W648 AromaticContact CG-CD2 3.84Å; H414-W648 AromaticContact CG-CG 3.84Å; H414-W648 AromaticContact NE2-CD2 3.95Å; H414-W648 AromaticContact NE2-CE2 3.79Å; I416-W648 HydrophobicContact CD1-CE3 4.25Å; I416-W648 HydrophobicContact CD1-CZ3 4Å; L421-W648 HydrophobicContact CD1-CH2 4.28Å; L421-W648 HydrophobicContact CD1-CZ3 3.82Å; L421-W648 HydrophobicContact CD2-CE3 3.86Å; L421-W648 HydrophobicContact CD2-CH2 4.28Å; L421-W648 HydrophobicContact CD2-CZ3 3.45Å; L421-W648 VanDerWaalsContact CD2-CZ3 3.45Å; L421-W648 HydrophobicContact CG-CZ3 4.14Å; I620-W648 HydrophobicContact CG1-CH2 4.34Å; I620-W648 HydrophobicContact CG1-CZ3 4.36Å; A646-W648 PolarHBondContact O-N 3.42Å |
| 649 | M | 88.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -93.5 | -28.6 | 177.5 | -60.7 | -166.6 | -80.2 | 0 | 0 | 113.2 | L421 L423 N613 V616 I629 L645 A646 G647 T651 K652 C653 | L421-M649 HydrophobicContact CD2-CG 4.13Å; L423-M649 HydrophobicContact CD1-CB 3.73Å; L423-M649 HydrophobicContact CD1-CG 4.27Å; L423-M649 HydrophobicContact CD1-SD 4.01Å; N613-M649 WeakPolarHBondContact OD1-CE 3.4Å; V616-M649 HydrophobicContact CB-SD 4.35Å; V616-M649 HydrophobicContact CG1-CE 4.1Å; V616-M649 HydrophobicContact CG1-SD 3.35Å; V616-M649 WeakPolarHBondContact CG1-SD 3.31Å; I629-M649 HydrophobicContact CD1-SD 3.85Å; L645-M649 HydrophobicContact CB-CE 4.24Å; L645-M649 HydrophobicContact CD2-CE 4.12Å; A646-M649 HydrophobicContact CB-CE 3.81Å; A646-M649 WeakPolarHBondContact O-CB 3.46Å; A646-M649 PolarHBondContact O-N 3.17Å; G647-M649 VanDerWaalsContact C-N 3.3Å; M649-T651 VanDerWaalsContact C-N 3.28Å; M649-T651 PolarHBondContact O-N 3.3Å; M649-K652 PolarHBondContact O-N 2.98Å; M649-C653 PolarHBondContact O-N 2.83Å; M649-C653 PolarHBondContact O-SG 3.44Å; M649-C653 VanDerWaalsContact O-SG 3.36Å |
| 650 | Q | 85.5 | Confident | 88.6 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.8 | -40.8 | -173.4 | -66.7 | -177.8 | -2.1 | 0 | 0 | 112.6 | L643 L645 K652 | L643-Q650 PolarHBondContact O-NE2 2.88Å; L645-Q650 HydrophobicContact CB-CG 4.37Å; L645-Q650 WeakPolarHBondContact O-CG 3.46Å; L645-Q650 PolarHBondContact O-NE2 3.17Å; Q650-K652 PolarHBondContact O-N 3.32Å; Q650-K652 VanDerWaalsContact O-N 3.16Å |
| 651 | T | 79.9 | Confident | 88.9 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 1.2 | -180 | 62 | 0 | 0 | 0 | 0 | 114.4 | M649 | M649-T651 VanDerWaalsContact C-N 3.28Å; M649-T651 PolarHBondContact O-N 3.3Å |
| 652 | K | 81.1 | Confident | 89.1 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -0.5 | -177.1 | -63.9 | -68 | 134.8 | 166.1 | 0 | 114.1 | P418 L423 M649 Q650 K654 | P418-K652 WeakPolarHBondContact O-CD 3.33Å; P418-K652 WeakPolarHBondContact O-CE 3.42Å; P418-K652 PolarHBondContact O-NZ 3.37Å; L423-K652 HydrophobicContact CB-CB 4.43Å; L423-K652 VanDerWaalsContact O-O 3.05Å; M649-K652 PolarHBondContact O-N 2.98Å; Q650-K652 PolarHBondContact O-N 3.32Å; Q650-K652 VanDerWaalsContact O-N 3.16Å; K652-K654 PolarHBondContact O-N 3.15Å; K652-K654 VanDerWaalsContact O-N 3.13Å |
| 653 | C | 87.5 | Confident | 89.3 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 105.8 | -179.8 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | L423 I425 L645 M649 | L423-C653 HydrophobicContact CD2-CB 4.41Å; I425-C653 HydrophobicContact CD1-CB 3.94Å; L645-C653 VanDerWaalsContact CD1-SG 3.58Å; M649-C653 PolarHBondContact O-N 2.83Å; M649-C653 PolarHBondContact O-SG 3.44Å; M649-C653 VanDerWaalsContact O-SG 3.36Å |
| 654 | K | 93.6 | Very high | 89.7 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.1 | 167 | -76.6 | 177.4 | 171.3 | 177.1 | 0 | 109.5 | L423 I425 K652 Y656 D665 | L423-K654 PolarHBondContact O-N 3.46Å; I425-K654 PolarHBondContact N-O 2.85Å; K652-K654 PolarHBondContact O-N 3.15Å; K652-K654 VanDerWaalsContact O-N 3.13Å; K654-Y656 HydrophobicContact CB-CD2 4.1Å; K654-Y656 HydrophobicContact CB-CE2 3.38Å; K654-Y656 HydrophobicContact CD-CE1 4.49Å; K654-Y656 HydrophobicContact CD-CE2 4.08Å; K654-Y656 WeakPolarHBondContact CD-OH 3.38Å; K654-Y656 HydrophobicContact CG-CE2 4.43Å; K654-D665 IonicContact NZ-OD2 2.65Å; K654-D665 PolarHBondContact NZ-OD2 3.08Å |
| 655 | V | 94.7 | Very high | 89.9 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.7 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | I425 P427 A637 | I425-V655 HydrophobicContact CB-CB 4.49Å; I425-V655 HydrophobicContact CB-CG2 4.05Å; I425-V655 HydrophobicContact CD1-CG2 4Å; I425-V655 HydrophobicContact CG2-CG1 4.32Å; I425-V655 HydrophobicContact CG2-CG2 4.18Å; P427-V655 HydrophobicContact CG-CG1 4.32Å; A637-V655 HydrophobicContact CB-CG1 3.95Å; A637-V655 HydrophobicContact CB-CG2 4.23Å |
| 656 | Y | 94.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 57 Ų | 57 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | trans | -115.5 | 120.7 | -176.8 | -62.6 | -103.6 | 0 | 0 | 0 | 111.3 | S424 I425 P427 K654 L661 V662 D665 | S424-Y656 VanDerWaalsContact CB-CE2 3.45Å; S424-Y656 WeakPolarHBondContact OG-CE2 3.32Å; S424-Y656 PolarHBondContact OG-OH 3.19Å; I425-Y656 PolarHBondContact O-N 2.78Å; P427-Y656 VanDerWaalsContact CD-O 3.24Å; P427-Y656 WeakPolarHBondContact CD-O 3.39Å; K654-Y656 HydrophobicContact CB-CD2 4.1Å; K654-Y656 HydrophobicContact CB-CE2 3.38Å; K654-Y656 HydrophobicContact CD-CE1 4.49Å; K654-Y656 HydrophobicContact CD-CE2 4.08Å; K654-Y656 WeakPolarHBondContact CD-OH 3.38Å; K654-Y656 HydrophobicContact CG-CE2 4.43Å; Y656-L661 HydrophobicContact CD1-CB 3.93Å; Y656-L661 HydrophobicContact CE1-CB 4.39Å; Y656-V662 VanDerWaalsContact CB-CG2 3.47Å; Y656-V662 HydrophobicContact CD1-CG2 3.8Å; Y656-V662 HydrophobicContact CD2-CG2 3.9Å; Y656-V662 HydrophobicContact CE1-CG2 4.41Å; Y656-V662 HydrophobicContact CE2-CG2 4.49Å; Y656-V662 HydrophobicContact CG-CG2 3.49Å; Y656-V662 VanDerWaalsContact CG-CG2 3.49Å; Y656-D665 HydrophobicContact CE1-CB 4.35Å; Y656-D665 PolarHBondContact OH-OD2 2.79Å; Y656-D665 VanDerWaalsContact OH-OD2 3.13Å | ||
| 657 | N | 86.3 | Confident | 90.7 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -87.1 | -3.7 | 176.4 | -67.2 | -40.6 | 0 | 0 | 0 | 113.8 | ||
| 658 | N | 90.7 | Very high | 91.3 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 34% | 0.342 | 32% | 0.315 | S | S | . | . | trans | -136.7 | 130.8 | 174.3 | 179.6 | -1.5 | 0 | 0 | 0 | 109 | E660 L661 | N658-E660 PolarHBondContact ND2-OE2 3.4Å; N658-E660 WeakPolarHBondContact OD1-CB 3.47Å; N658-E660 WeakPolarHBondContact OD1-CG 3.45Å; N658-E660 PolarHBondContact OD1-N 3.37Å; N658-L661 HydrophobicContact CB-CD1 4.42Å; N658-L661 HydrophobicContact CB-CG 4.48Å; N658-L661 PolarHBondContact O-N 2.91Å | ||
| 659 | V | 92.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.8 | -28.8 | -179.2 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | I426 P430 L454 L661 V662 V663 | I426-V659 HydrophobicContact CG2-CG2 4.46Å; P430-V659 HydrophobicContact CG-CB 4.41Å; P430-V659 HydrophobicContact CG-CG1 4.38Å; P430-V659 HydrophobicContact CG-CG2 4.13Å; L454-V659 HydrophobicContact CD1-CB 4.37Å; L454-V659 HydrophobicContact CD1-CG1 3.5Å; L454-V659 HydrophobicContact CD1-CG2 3.86Å; V659-L661 PolarHBondContact O-N 3.28Å; V659-V662 WeakPolarHBondContact O-CA 3.21Å; V659-V662 VanDerWaalsContact O-CB 3.31Å; V659-V662 WeakPolarHBondContact O-CB 3.22Å; V659-V662 PolarHBondContact O-N 3.16Å; V659-V663 PolarHBondContact O-N 3.32Å |
| 660 | E | 93.1 | Very high | 92.1 | Very high | 136 Ų | 136 | 61 Ų | 61 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.8 | -34.9 | 177.5 | -60.9 | 172.9 | 140.8 | 0 | 0 | 112.3 | N658 K664 | N658-E660 PolarHBondContact ND2-OE2 3.4Å; N658-E660 WeakPolarHBondContact OD1-CB 3.47Å; N658-E660 WeakPolarHBondContact OD1-CG 3.45Å; N658-E660 PolarHBondContact OD1-N 3.37Å; E660-K664 PolarHBondContact O-N 2.92Å; E660-K664 VanDerWaalsContact O-N 3.11Å |
| 661 | L | 94.8 | Very high | 92.5 | Very high | 93 Ų | 93 | 64.6 Ų | 64.6 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71 | -34.6 | 174.9 | -62.3 | 177.3 | 0 | 0 | 0 | 111.7 | Y656 N658 V659 K664 D665 | Y656-L661 HydrophobicContact CD1-CB 3.93Å; Y656-L661 HydrophobicContact CE1-CB 4.39Å; N658-L661 HydrophobicContact CB-CD1 4.42Å; N658-L661 HydrophobicContact CB-CG 4.48Å; N658-L661 PolarHBondContact O-N 2.91Å; V659-L661 PolarHBondContact O-N 3.28Å; L661-K664 PolarHBondContact O-N 3.01Å; L661-D665 WeakPolarHBondContact O-CB 3.45Å; L661-D665 PolarHBondContact O-N 3.48Å |
| 662 | V | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 174.3 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | I426 L458 Y630 Y656 V659 K664 D665 T666 | I426-V662 HydrophobicContact CD1-CG1 3.99Å; I426-V662 HydrophobicContact CD1-CG2 4.21Å; I426-V662 HydrophobicContact CG1-CG2 4.3Å; L458-V662 HydrophobicContact CD1-CG1 4.14Å; L458-V662 HydrophobicContact CD2-CB 4.36Å; L458-V662 HydrophobicContact CD2-CG1 3.87Å; Y630-V662 HydrophobicContact CD1-CG1 4Å; Y630-V662 HydrophobicContact CE1-CG1 3.49Å; Y630-V662 VanDerWaalsContact CE1-CG1 3.49Å; Y656-V662 VanDerWaalsContact CB-CG2 3.47Å; Y656-V662 HydrophobicContact CD1-CG2 3.8Å; Y656-V662 HydrophobicContact CD2-CG2 3.9Å; Y656-V662 HydrophobicContact CE1-CG2 4.41Å; Y656-V662 HydrophobicContact CE2-CG2 4.49Å; Y656-V662 HydrophobicContact CG-CG2 3.49Å; Y656-V662 VanDerWaalsContact CG-CG2 3.49Å; V659-V662 WeakPolarHBondContact O-CA 3.21Å; V659-V662 VanDerWaalsContact O-CB 3.31Å; V659-V662 WeakPolarHBondContact O-CB 3.22Å; V659-V662 PolarHBondContact O-N 3.16Å; V662-K664 VanDerWaalsContact C-N 3.33Å; V662-K664 PolarHBondContact O-N 3.48Å; V662-D665 PolarHBondContact O-N 3.01Å; V662-T666 VanDerWaalsContact O-CB 3.24Å; V662-T666 WeakPolarHBondContact O-CB 3.47Å; V662-T666 PolarHBondContact O-N 2.95Å; V662-T666 PolarHBondContact O-OG1 2.97Å |
| 663 | V | 95.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.5 | -48.6 | 175 | 163.4 | 0 | 0 | 0 | 0 | 110.5 | L458 V461 V659 T666 D667 | L458-V663 HydrophobicContact CD2-CG2 3.72Å; V461-V663 HydrophobicContact CG2-CG1 4.04Å; V461-V663 HydrophobicContact CG2-CG2 4.44Å; V659-V663 PolarHBondContact O-N 3.32Å; V663-T666 WeakPolarHBondContact O-CB 3.44Å; V663-T666 PolarHBondContact O-N 2.81Å; V663-D667 PolarHBondContact O-N 3.4Å; V663-D667 VanDerWaalsContact O-N 3.13Å |
| 664 | K | 95.6 | Very high | 94 | Very high | 130 Ų | 130 | 66 Ų | 66 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.6 | -51.2 | 178.9 | -171.1 | -169 | 172.1 | -164.6 | 0 | 112.9 | E660 L661 V662 T666 D667 E668 | E660-K664 PolarHBondContact O-N 2.92Å; E660-K664 VanDerWaalsContact O-N 3.11Å; L661-K664 PolarHBondContact O-N 3.01Å; V662-K664 VanDerWaalsContact C-N 3.33Å; V662-K664 PolarHBondContact O-N 3.48Å; K664-T666 PolarHBondContact O-N 3.13Å; K664-D667 PolarHBondContact O-N 3.32Å; K664-E668 WeakPolarHBondContact O-CB 3.39Å; K664-E668 PolarHBondContact O-N 3.42Å |
| 665 | D | 95.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 67.2 Ų | 67.2 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -21.5 | 179.2 | -84.2 | 41.9 | 0 | 0 | 0 | 112.2 | N422 K654 Y656 L661 V662 F669 | N422-D665 PolarHBondContact ND2-O 3.39Å; K654-D665 IonicContact NZ-OD2 2.65Å; K654-D665 PolarHBondContact NZ-OD2 3.08Å; Y656-D665 HydrophobicContact CE1-CB 4.35Å; Y656-D665 PolarHBondContact OH-OD2 2.79Å; Y656-D665 VanDerWaalsContact OH-OD2 3.13Å; L661-D665 WeakPolarHBondContact O-CB 3.45Å; L661-D665 PolarHBondContact O-N 3.48Å; V662-D665 PolarHBondContact O-N 3.01Å; D665-F669 WeakPolarHBondContact O-CB 3.33Å; D665-F669 PolarHBondContact O-N 2.86Å; D665-F669 VanDerWaalsContact O-N 3.17Å |
| 666 | T | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.1 | -51.6 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | V461 V462 I628 Y630 V662 V663 K664 F669 F670 | V461-T666 HydrophobicContact CB-CG2 4Å; V461-T666 HydrophobicContact CG1-CG2 3.61Å; V462-T666 HydrophobicContact CG2-CG2 4.24Å; I628-T666 HydrophobicContact CD1-CG2 3.8Å; Y630-T666 WeakPolarHBondContact OH-CG2 3.47Å; Y630-T666 PolarHBondContact OH-OG1 2.68Å; V662-T666 VanDerWaalsContact O-CB 3.24Å; V662-T666 WeakPolarHBondContact O-CB 3.47Å; V662-T666 PolarHBondContact O-N 2.95Å; V662-T666 PolarHBondContact O-OG1 2.97Å; V663-T666 WeakPolarHBondContact O-CB 3.44Å; V663-T666 PolarHBondContact O-N 2.81Å; K664-T666 PolarHBondContact O-N 3.13Å; T666-F669 WeakPolarHBondContact O-CB 3.24Å; T666-F669 PolarHBondContact O-N 3.02Å; T666-F670 HydrophobicContact CG2-CD2 3.82Å; T666-F670 HydrophobicContact CG2-CE2 3.71Å; T666-F670 VanDerWaalsContact O-CD2 3.29Å; T666-F670 WeakPolarHBondContact O-CD2 3.47Å; T666-F670 PolarHBondContact O-N 2.94Å |
| 667 | D | 95 | Very high | 93.4 | Very high | 71 Ų | 71 | 69.9 Ų | 69.9 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.5 | 175 | 51.2 | 0 | 0 | 0 | 111.4 | V461 V663 K664 F669 F670 R671 | V461-D667 HydrophobicContact CG1-CB 3.84Å; V663-D667 PolarHBondContact O-N 3.4Å; V663-D667 VanDerWaalsContact O-N 3.13Å; K664-D667 PolarHBondContact O-N 3.32Å; D667-F669 VanDerWaalsContact C-N 3.33Å; D667-F669 PolarHBondContact O-N 2.92Å; D667-F670 PolarHBondContact O-N 3.37Å; D667-R671 WeakPolarHBondContact O-CB 3.33Å; D667-R671 PolarHBondContact O-N 3.06Å; D667-R671 IonicContact OD2-CZ 3.66Å; D667-R671 IonicContact OD2-NE 3.69Å; D667-R671 IonicContact OD2-NH2 2.72Å; D667-R671 PolarHBondContact OD2-NH2 3.44Å |
| 668 | E | 95.8 | Very high | 93 | Very high | 97 Ų | 97 | 67.9 Ų | 67.9 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.2 | -173 | 174.3 | 152.4 | 0 | 0 | 111.7 | K664 N672 | K664-E668 WeakPolarHBondContact O-CB 3.39Å; K664-E668 PolarHBondContact O-N 3.42Å; E668-N672 VanDerWaalsContact O-CB 3.31Å; E668-N672 WeakPolarHBondContact O-CB 3.35Å; E668-N672 PolarHBondContact O-N 3.02Å; E668-N672 PolarHBondContact O-ND2 3.48Å |
| 669 | F | 95.9 | Very high | 91.8 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -53.8 | 175.1 | 170.6 | -96.8 | 0 | 0 | 0 | 112.2 | D419 N422 Y626 G627 I628 D665 T666 D667 R671 N672 M673 | D419-F669 WeakPolarHBondContact O-CE2 3.05Å; N422-F669 HydrophobicContact CB-CD2 3.76Å; N422-F669 HydrophobicContact CB-CE2 4.04Å; N422-F669 HydrophobicContact CB-CG 4.1Å; Y626-F669 HydrophobicContact CD2-CE1 4.43Å; G627-F669 WeakPolarHBondContact O-CZ 3.37Å; I628-F669 HydrophobicContact CB-CE1 4.35Å; I628-F669 HydrophobicContact CD1-CB 4.22Å; I628-F669 HydrophobicContact CD1-CD1 3.59Å; I628-F669 HydrophobicContact CD1-CE1 4.2Å; I628-F669 HydrophobicContact CD1-CG 4.05Å; I628-F669 HydrophobicContact CG1-CD1 3.8Å; I628-F669 HydrophobicContact CG1-CE1 3.91Å; I628-F669 HydrophobicContact CG1-CG 4.37Å; D665-F669 WeakPolarHBondContact O-CB 3.33Å; D665-F669 PolarHBondContact O-N 2.86Å; D665-F669 VanDerWaalsContact O-N 3.17Å; T666-F669 WeakPolarHBondContact O-CB 3.24Å; T666-F669 PolarHBondContact O-N 3.02Å; D667-F669 VanDerWaalsContact C-N 3.33Å; D667-F669 PolarHBondContact O-N 2.92Å; F669-R671 VanDerWaalsContact C-N 3.33Å; F669-R671 PolarHBondContact O-N 3.33Å; F669-N672 PolarHBondContact O-N 3.28Å; F669-M673 HydrophobicContact CD1-CG 4.45Å; F669-M673 HydrophobicContact CD2-CG 4.02Å; F669-M673 HydrophobicContact CE1-CG 4.12Å; F669-M673 HydrophobicContact CE2-CE 4.37Å; F669-M673 HydrophobicContact CE2-CG 3.66Å; F669-M673 HydrophobicContact CE2-SD 4.27Å; F669-M673 HydrophobicContact CG-CG 4.41Å; F669-M673 HydrophobicContact CZ-CG 3.72Å; F669-M673 WeakPolarHBondContact O-CB 3.32Å; F669-M673 WeakPolarHBondContact O-CG 3.37Å; F669-M673 PolarHBondContact O-N 2.84Å |
| 670 | F | 95.2 | Very high | 90 | Very high | 7 Ų | 7 | 72.5 Ų | 72.5 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.1 | -34.2 | -177.4 | -75.8 | -61.7 | 0 | 0 | 0 | 113 | V462 P463 R549 Y626 I628 T666 D667 R674 | V462-F670 HydrophobicContact CB-CE2 4.32Å; V462-F670 HydrophobicContact CG1-CE2 4.14Å; V462-F670 HydrophobicContact CG1-CZ 4.02Å; V462-F670 HydrophobicContact CG2-CE2 4.09Å; P463-F670 VanDerWaalsContact CD-CD2 3.47Å; P463-F670 HydrophobicContact CG-CB 4.42Å; P463-F670 HydrophobicContact CG-CD1 3.73Å; P463-F670 HydrophobicContact CG-CD2 4.27Å; P463-F670 HydrophobicContact CG-CE1 4.01Å; P463-F670 HydrophobicContact CG-CG 3.88Å; P463-F670 HydrophobicContact CG-CZ 4.39Å; R549-F670 HydrophobicContact CB-CE1 3.97Å; R549-F670 HydrophobicContact CB-CZ 4.22Å; R549-F670 WeakPolarHBondContact O-CZ 3.44Å; Y626-F670 HydrophobicContact CD2-CD1 4.37Å; Y626-F670 HydrophobicContact CD2-CE1 4.45Å; Y626-F670 HydrophobicContact CE2-CD1 4.09Å; Y626-F670 HydrophobicContact CE2-CE1 4.46Å; I628-F670 HydrophobicContact CB-CE2 4.31Å; I628-F670 HydrophobicContact CB-CZ 3.99Å; I628-F670 HydrophobicContact CD1-CE2 3.97Å; I628-F670 HydrophobicContact CD1-CZ 4.39Å; I628-F670 HydrophobicContact CG2-CZ 4.48Å; T666-F670 HydrophobicContact CG2-CD2 3.82Å; T666-F670 HydrophobicContact CG2-CE2 3.71Å; T666-F670 VanDerWaalsContact O-CD2 3.29Å; T666-F670 WeakPolarHBondContact O-CD2 3.47Å; T666-F670 PolarHBondContact O-N 2.94Å; D667-F670 PolarHBondContact O-N 3.37Å; F670-R674 VanDerWaalsContact O-CB 3.3Å; F670-R674 WeakPolarHBondContact O-CB 2.94Å; F670-R674 PolarHBondContact O-N 3.09Å |
| 671 | R | 94.2 | Very high | 87.9 | Confident | 145 Ų | 145 | 70.5 Ų | 70.5 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 173.5 | -166.7 | -168.7 | -57 | -175.7 | -0.8 | 111.4 | D667 F669 N675 | D667-R671 WeakPolarHBondContact O-CB 3.33Å; D667-R671 PolarHBondContact O-N 3.06Å; D667-R671 IonicContact OD2-CZ 3.66Å; D667-R671 IonicContact OD2-NE 3.69Å; D667-R671 IonicContact OD2-NH2 2.72Å; D667-R671 PolarHBondContact OD2-NH2 3.44Å; F669-R671 VanDerWaalsContact C-N 3.33Å; F669-R671 PolarHBondContact O-N 3.33Å; R671-N675 PolarHBondContact O-N 3.43Å; R671-N675 PolarHBondContact O-ND2 2.84Å |
| 672 | N | 95.1 | Very high | 85.1 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 178.4 | -72.6 | -23.3 | 0 | 0 | 0 | 112.2 | E668 F669 N675 K676 | E668-N672 VanDerWaalsContact O-CB 3.31Å; E668-N672 WeakPolarHBondContact O-CB 3.35Å; E668-N672 PolarHBondContact O-N 3.02Å; E668-N672 PolarHBondContact O-ND2 3.48Å; F669-N672 PolarHBondContact O-N 3.28Å; N672-N675 PolarHBondContact O-N 3.31Å; N672-K676 PolarHBondContact O-N 3.13Å |
| 673 | M | 93.8 | Very high | 82.1 | Confident | 10 Ų | 10 | 82.4 Ų | 82.4 | 5% | 0.049 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 178.9 | -70 | -55.7 | 115.5 | 0 | 0 | 112.6 | D419 Q420 Y626 F669 N675 K676 Y677 | D419-M673 HydrophobicContact CB-CE 4.3Å; D419-M673 WeakPolarHBondContact O-CE 3.41Å; Q420-M673 HydrophobicContact CG-SD 4.35Å; Y626-M673 HydrophobicContact CD1-CB 4.1Å; Y626-M673 HydrophobicContact CD2-CB 3.37Å; Y626-M673 HydrophobicContact CD2-CG 3.8Å; Y626-M673 HydrophobicContact CE1-CB 4.26Å; Y626-M673 HydrophobicContact CE2-CB 3.57Å; Y626-M673 HydrophobicContact CE2-CG 4.46Å; Y626-M673 HydrophobicContact CG-CB 3.66Å; Y626-M673 HydrophobicContact CG-CG 3.92Å; Y626-M673 HydrophobicContact CG-SD 4.48Å; F669-M673 HydrophobicContact CD1-CG 4.45Å; F669-M673 HydrophobicContact CD2-CG 4.02Å; F669-M673 HydrophobicContact CE1-CG 4.12Å; F669-M673 HydrophobicContact CE2-CE 4.37Å; F669-M673 HydrophobicContact CE2-CG 3.66Å; F669-M673 HydrophobicContact CE2-SD 4.27Å; F669-M673 HydrophobicContact CG-CG 4.41Å; F669-M673 HydrophobicContact CZ-CG 3.72Å; F669-M673 WeakPolarHBondContact O-CB 3.32Å; F669-M673 WeakPolarHBondContact O-CG 3.37Å; F669-M673 PolarHBondContact O-N 2.84Å; M673-N675 PolarHBondContact O-N 2.88Å; M673-K676 PolarHBondContact O-N 2.89Å; M673-K676 VanDerWaalsContact O-N 3.12Å; M673-Y677 WeakPolarHBondContact O-CA 3.3Å; M673-Y677 PolarHBondContact O-N 3.11Å; M673-Y677 HydrophobicContact SD-CD2 3.95Å; M673-Y677 HydrophobicContact SD-CE2 3.96Å |
| 674 | R | 89.9 | Confident | 79.4 | Confident | 145 Ų | 145 | 86.5 Ų | 86.5 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.4 | -33.6 | 177.4 | -168.5 | -178.1 | -59.6 | 174.2 | 4.5 | 112.7 | F670 | F670-R674 VanDerWaalsContact O-CB 3.3Å; F670-R674 WeakPolarHBondContact O-CB 2.94Å; F670-R674 PolarHBondContact O-N 3.09Å |
| 675 | N | 90.4 | Very high | 76.2 | Confident | 126 Ų | 126 | 89 Ų | 89 | 67% | 0.674 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -73.3 | -35.5 | 176.1 | -68.3 | -18.8 | 0 | 0 | 0 | 112.9 | R671 N672 M673 | R671-N675 PolarHBondContact O-N 3.43Å; R671-N675 PolarHBondContact O-ND2 2.84Å; N672-N675 PolarHBondContact O-N 3.31Å; M673-N675 PolarHBondContact O-N 2.88Å |
| 676 | K | 91.5 | Very high | 73 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 46% | 0.457 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -87.6 | -30.7 | -177.4 | -174.1 | 176.2 | 167.8 | -172.9 | 0 | 113.3 | D419 N672 M673 | D419-K676 IonicContact OD1-NZ 2.72Å; D419-K676 PolarHBondContact OD1-NZ 3.13Å; D419-K676 VanDerWaalsContact OD1-NZ 3.08Å; D419-K676 IonicContact OD2-NZ 3.85Å; D419-K676 PolarHBondContact OD2-NZ 2.59Å; N672-K676 PolarHBondContact O-N 3.13Å; M673-K676 PolarHBondContact O-N 2.89Å; M673-K676 VanDerWaalsContact O-N 3.12Å |
| 677 | Y | 88.4 | Confident | 69.8 | Low | 29 Ų | 29 | 97.3 Ų | 97.3 | 11% | 0.114 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -130.5 | 69.3 | -178 | -58.4 | -86.5 | 0 | 0 | 0 | 109.4 | N417 Q420 K624 Y626 M673 | N417-Y677 PolarHBondContact ND2-OH 3.26Å; N417-Y677 VanDerWaalsContact ND2-OH 3.15Å; Q420-Y677 HydrophobicContact CG-CD2 4.34Å; Q420-Y677 HydrophobicContact CG-CE1 4.33Å; Q420-Y677 HydrophobicContact CG-CE2 3.53Å; Q420-Y677 WeakPolarHBondContact CG-OH 3.27Å; Q420-Y677 PolarHBondContact OE1-OH 3.1Å; K624-Y677 HydrophobicContact CB-CD1 4.08Å; K624-Y677 HydrophobicContact CG-CD1 4.33Å; K624-Y677 WeakPolarHBondContact O-CD1 3.43Å; Y626-Y677 HydrophobicContact CD1-CD2 4.4Å; Y626-Y677 HydrophobicContact CD1-CG 4.28Å; Y626-Y677 WeakPolarHBondContact CE1-O 3.36Å; M673-Y677 WeakPolarHBondContact O-CA 3.3Å; M673-Y677 PolarHBondContact O-N 3.11Å; M673-Y677 HydrophobicContact SD-CD2 3.95Å; M673-Y677 HydrophobicContact SD-CE2 3.96Å |
| 678 | P | 77.5 | Confident | 66.6 | Low | 89 Ų | 89 | 98.5 Ų | 98.5 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | trans | -62.9 | 140.7 | 173.4 | 27.6 | -34.8 | 0 | 0 | 0 | 110.2 | T680 | P678-T680 PolarHBondContact O-N 3.4Š| ||
| 679 | S | 65.4 | Low | 63.3 | Low | 54 Ų | 54 | 100.8 Ų | 100.8 | 38% | 0.378 | 52% | 0.524 | S | S | . | . | trans | -54 | 124.7 | 177.5 | -52 | 0 | 0 | 0 | 0 | 111 | D681 | S679-D681 VanDerWaalsContact C-N 3.26Å; S679-D681 WeakPolarHBondContact CB-OD2 3.22Å; S679-D681 PolarHBondContact O-N 3.24Å | ||
| 680 | T | 56 | Low | 60.2 | Low | 111 Ų | 111 | 105 Ų | 105 | 68% | 0.681 | 55% | 0.55 | S | S | * | * | trans | -90.9 | 68.8 | 165.1 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | P678 R682 | P678-T680 PolarHBondContact O-N 3.4Å; T680-R682 PolarHBondContact O-N 3.17Å | ||
| 681 | D | 48.9 | Very low | 56.9 | Low | 95 Ų | 95 | 111.4 Ų | 111.4 | 51% | 0.508 | 59% | 0.585 | S | S | . | * | trans | -62.3 | 104.8 | -179.1 | -64.7 | -59.7 | 0 | 0 | 0 | 110.1 | S679 | S679-D681 VanDerWaalsContact C-N 3.26Å; S679-D681 WeakPolarHBondContact CB-OD2 3.22Å; S679-D681 PolarHBondContact O-N 3.24Å | ||
| 682 | R | 37 | Very low | 53.8 | Low | 225 Ų | 225 | 111.2 Ų | 111.2 | 85% | 0.849 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 121.2 | 155.8 | -69.9 | -174.2 | 178.3 | -168.1 | 0.7 | 105.9 | T680 L684 | T680-R682 PolarHBondContact O-N 3.17Å; R682-L684 PolarHBondContact O-N 3.36Å |
| 683 | P | 30.7 | Very low | 50.4 | Low | 118 Ų | 118 | 114 Ų | 114 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.5 | 172.5 | 25.5 | -33 | 0 | 0 | 0 | 108.3 | E685 | P683-E685 PolarHBondContact O-N 2.8Š|
| 684 | L | 39.4 | Very low | 47.3 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.7 | 164.3 | -88 | 77.2 | 0 | 0 | 0 | 107.1 | R682 S686 | R682-L684 PolarHBondContact O-N 3.36Å; L684-S686 PolarHBondContact O-N 3.06Å |
| 685 | E | 28.5 | Very low | 44.5 | Very low | 184 Ų | 184 | 120.5 Ų | 120.5 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | trans | -59.2 | 108.3 | 177.4 | -71.4 | -168.9 | 142.5 | 0 | 0 | 109.3 | P683 T687 | P683-E685 PolarHBondContact O-N 2.8Å; E685-T687 PolarHBondContact O-N 2.94Å | ||
| 686 | S | 28.8 | Very low | 41.3 | Very low | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -60.7 | 108 | 176 | 55.1 | 0 | 0 | 0 | 0 | 107.7 | L684 S688 | L684-S686 PolarHBondContact O-N 3.06Å; S686-S688 PolarHBondContact O-N 3.15Å | ||
| 687 | T | 27.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -71 | 84.1 | -178.6 | -12.9 | 0 | 0 | 0 | 0 | 108 | E685 I689 | E685-T687 PolarHBondContact O-N 2.94Å; T687-I689 PolarHBondContact O-N 2.87Å | ||
| 688 | S | 28.8 | Very low | 35.7 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -69.7 | 97.6 | -174.7 | 41.8 | 0 | 0 | 0 | 0 | 109.4 | S686 V690 | S686-S688 PolarHBondContact O-N 3.15Å; S688-V690 PolarHBondContact O-N 3.4Å | ||
| 689 | I | 27.2 | Very low | 33.4 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | trans | -69.8 | 80.8 | 171.8 | -58 | 173.7 | 0 | 0 | 0 | 107.8 | T687 N691 | T687-I689 PolarHBondContact O-N 2.87Å; I689-N691 VanDerWaalsContact C-N 3.3Å; I689-N691 PolarHBondContact O-N 3.42Å | ||
| 690 | V | 30.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -73.8 | 89.3 | 170.4 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | S688 N692 | S688-V690 PolarHBondContact O-N 3.4Å; V690-N692 VanDerWaalsContact C-N 3.29Å; V690-N692 HydrophobicContact CG1-CB 4.3Å; V690-N692 PolarHBondContact O-N 2.83Å | ||
| 691 | N | 24.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -64.7 | 88.8 | 168.5 | -78.6 | -23.7 | 0 | 0 | 0 | 109.7 | I689 | I689-N691 VanDerWaalsContact C-N 3.3Å; I689-N691 PolarHBondContact O-N 3.42Å | ||
| 692 | N | 29.3 | Very low | 29.2 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -122.3 | 83.1 | 169 | -91.7 | -22.4 | 0 | 0 | 0 | 110.2 | V690 L694 | V690-N692 VanDerWaalsContact C-N 3.29Å; V690-N692 HydrophobicContact CG1-CB 4.3Å; V690-N692 PolarHBondContact O-N 2.83Å; N692-L694 PolarHBondContact O-N 3.16Å | ||
| 693 | T | 23.6 | Very low | 28.9 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -62 | 117.4 | 152.1 | 40.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 694 | L | 30.6 | Very low | 28.8 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -164.2 | 145.2 | 144.4 | -106 | 162.5 | 0 | 0 | 0 | 111.7 | N692 | N692-L694 PolarHBondContact O-N 3.16Š| ||
| 695 | T | 29.3 | Very low | 28.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -41.7 | 151.5 | -176.8 | 45.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 696 | A | 24.5 | Very low | 28.1 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -80.1 | 152.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 697 | T | 30.9 | Very low | 28 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -161 | 126.5 | 137.6 | 20.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 698 | S | 30 | Very low | 28.1 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 28 | 127 | 145.6 | 59.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 699 | S | 29.9 | Very low | 28 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | 90.1 | 118.3 | 123.2 | 68.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 700 | L | 26.1 | Very low | 28.1 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 60.8 | 114.6 | 131 | -63.1 | 169.7 | 0 | 0 | 0 | 121.6 | ||||
| 701 | R | 30 | Very low | 27.8 | Very low | 253 Ų | 253 | 146.3 Ų | 146.3 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | -172 | 164.9 | 102.4 | -100.6 | 169.6 | -175 | -173.2 | 2.2 | 112.6 | |||||
| 702 | S | 26.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -131.4 | 147.1 | -178 | 58.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 703 | V | 31.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -137.7 | 152.3 | 165 | -177.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 704 | N | 27.3 | Very low | 27.8 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -107.2 | 150.8 | -166.9 | -93.9 | -63.6 | 0 | 0 | 0 | 114.7 | ||||
| 705 | R | 24.9 | Very low | 27.4 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | 46.4 | 127.6 | 144.6 | -65.2 | 177.5 | 172.8 | -175.9 | -2.8 | 120.3 | ||||
| 706 | T | 29.9 | Very low | 27.3 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | -160.7 | 161.3 | 114.7 | 7.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 707 | K | 26.4 | Very low | 27.3 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -118.2 | 157.2 | 166 | -81.5 | -171.2 | 174.6 | -174.4 | 0 | 108.4 | ||||
| 708 | P | 29.4 | Very low | 27.1 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | -128 | 179 | 117 | 37.4 | -32.1 | 0 | 0 | 0 | 112.5 | |||||
| 709 | S | 26 | Very low | 26.7 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -141.3 | 142.2 | -175.7 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 710 | L | 29.6 | Very low | 26.4 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -153.2 | 162.1 | 163.8 | -113.3 | 159.3 | 0 | 0 | 0 | 110.2 | ||||
| 711 | E | 23.7 | Very low | 26.4 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | -107.4 | 143.7 | -159.9 | -45.7 | 172.3 | 133.8 | 0 | 0 | 113 | ||||
| 712 | K | 25.7 | Very low | 26.2 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | 169.7 | 158.9 | 107.6 | -95.1 | 159.2 | -172.5 | 173.6 | 0 | 113.6 | |||||
| 713 | S | 23.5 | Very low | 26.3 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 40.6 | 103.7 | 156.3 | 57.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 714 | N | 28 | Very low | 25.9 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | -161 | 136 | 107.2 | -97.7 | -28.5 | 0 | 0 | 0 | 111.6 | I716 | N714-I716 HydrophobicContact CB-CD1 4.44Å; N714-I716 HydrophobicContact CB-CG1 4.26Å; N714-I716 PolarHBondContact O-N 3.33Å | |||
| 715 | V | 23.6 | Very low | 25.7 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | trans | -85.5 | 101.2 | 172.3 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 716 | I | 26.8 | Very low | 25.6 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 58% | 0.579 | 75% | 0.754 | S | S | * | * | trans | -118.6 | 117.5 | 173.9 | -58.4 | -179.5 | 0 | 0 | 0 | 108.7 | N714 N718 | N714-I716 HydrophobicContact CB-CD1 4.44Å; N714-I716 HydrophobicContact CB-CG1 4.26Å; N714-I716 PolarHBondContact O-N 3.33Å; I716-N718 WeakPolarHBondContact CG2-OD1 3.38Å; I716-N718 PolarHBondContact O-N 3.26Å | ||
| 717 | S | 24.5 | Very low | 25.4 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -75.2 | 70.1 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | L719 | S717-L719 PolarHBondContact O-N 3.34Å; S717-L719 VanDerWaalsContact O-N 3.16Å | ||
| 718 | N | 25.6 | Very low | 25.3 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -80.4 | 89.1 | 173.1 | -77.3 | -20.9 | 0 | 0 | 0 | 110.3 | I716 | I716-N718 WeakPolarHBondContact CG2-OD1 3.38Å; I716-N718 PolarHBondContact O-N 3.26Å | ||
| 719 | L | 22.6 | Very low | 25 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 127.4 | 153.7 | -86.5 | 78.6 | 0 | 0 | 0 | 108 | S717 S721 | S717-L719 PolarHBondContact O-N 3.34Å; S717-L719 VanDerWaalsContact O-N 3.16Å; L719-S721 PolarHBondContact O-N 2.86Å |
| 720 | P | 24.5 | Very low | 25.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 116.5 | 165.7 | -11.2 | 27.3 | 0 | 0 | 0 | 108.9 | A722 | P720-A722 HydrophobicContact CB-CB 4.34Š|
| 721 | S | 25.4 | Very low | 24.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -77 | 118.6 | 154.8 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | L719 | L719-S721 PolarHBondContact O-N 2.86Š|
| 722 | A | 25 | Very low | 24.8 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 55% | 0.545 | 74% | 0.74 | S | S | . | * | trans | -158.1 | 135.8 | -166 | 0 | 0 | 0 | 0 | 0 | 108.7 | P720 | P720-A722 HydrophobicContact CB-CB 4.34Š| ||
| 723 | F | 28.1 | Very low | 24.7 | Very low | 210 Ų | 210 | 132.1 Ų | 132.1 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | cis | -134.4 | 167.2 | -4.1 | -114.8 | -74.2 | 0 | 0 | 0 | 111.7 | ||||
| 724 | E | 23 | Very low | 24.8 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 43% | 0.425 | 74% | 0.735 | S | S | . | * | trans | -127.9 | 149 | 173.8 | -153.9 | -172.9 | -100.6 | 0 | 0 | 109.4 | R516 | R516-E724 IonicContact CZ-OE1 3.58Å; R516-E724 IonicContact CZ-OE2 2.71Å; R516-E724 IonicContact NH1-OE1 2.63Å; R516-E724 PolarHBondContact NH1-OE1 3.48Å; R516-E724 IonicContact NH2-OE1 3.31Å; R516-E724 PolarHBondContact NH2-OE1 3.27Å; R516-E724 IonicContact NH2-OE2 3.81Å; R516-E724 PolarHBondContact NH2-OE2 2.82Å | ||
| 725 | L | 23.1 | Very low | 24.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 61% | 0.607 | 73% | 0.733 | S | S | * | * | trans | 70.8 | 151.9 | 173.3 | -48.4 | 171.4 | 0 | 0 | 0 | 114.6 | ||||
| 726 | N | 24.2 | Very low | 24.6 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | cis | -147.4 | 171.6 | 10.9 | -140.7 | -26.6 | 0 | 0 | 0 | 113.3 | ||||
| 727 | I | 24.4 | Very low | 24.4 | Very low | 130 Ų | 130 | 130 Ų | 130 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | trans | -89.4 | 135.6 | -170.9 | -64.6 | 163.3 | 0 | 0 | 0 | 112.6 | ||||
| 728 | F | 25.2 | Very low | 24.3 | Very low | 213 Ų | 213 | 132.6 Ų | 132.6 | 93% | 0.934 | 73% | 0.734 | S | S | * | * | trans | -115 | 109.3 | 155.1 | -85.5 | -76.4 | 0 | 0 | 0 | 111.4 | ||||
| 729 | S | 22.8 | Very low | 24.2 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -115.4 | 129.2 | 161.6 | -176 | 0 | 0 | 0 | 0 | 107.6 | K731 | S729-K731 PolarHBondContact O-N 3.03Š| ||
| 730 | P | 27.7 | Very low | 24.1 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -68.7 | 124.3 | 179.8 | 27.8 | -33.1 | 0 | 0 | 0 | 110.1 | V732 | P730-V732 PolarHBondContact O-N 3.18Š| ||
| 731 | K | 22.7 | Very low | 24.1 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -67 | 126.1 | 170.4 | -66.5 | -178.9 | 179.4 | 179.8 | 0 | 109.4 | S729 | S729-K731 PolarHBondContact O-N 3.03Š| ||
| 732 | V | 25.5 | Very low | 23.8 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | -123.5 | 105 | 155.8 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | P730 | P730-V732 PolarHBondContact O-N 3.18Š| ||
| 733 | N | 22 | Very low | 23.8 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -104.4 | 125.1 | 170.5 | -115 | 64.9 | 0 | 0 | 0 | 106 | ||||
| 734 | D | 26.5 | Very low | 23.5 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | 174 | 126.8 | 96.3 | -90.9 | -28.8 | 0 | 0 | 0 | 114.9 | |||||
| 735 | S | 22.5 | Very low | 23.6 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | 74.3 | 160.8 | 140.8 | 76.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 736 | V | 24.4 | Very low | 23.5 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 73.7 | 114 | 172 | -172.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 737 | T | 22.6 | Very low | 23.5 | Very low | 110 Ų | 110 | 145 Ų | 145 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | 174.7 | 149.1 | -23.5 | 11.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 738 | L | 22.4 | Very low | 23.7 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 66.3 | 153.9 | 158.6 | -62.5 | 162.3 | 0 | 0 | 0 | 116.3 | ||||
| 739 | I | 23.6 | Very low | 23.7 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | cis | -129.3 | 154.4 | 6.6 | -70.4 | 179.9 | 0 | 0 | 0 | 110.7 | ||||
| 740 | T | 20.4 | Very low | 23.9 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -90.8 | 131.2 | 167 | 46 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 741 | S | 23.6 | Very low | 24 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -158.4 | 122.4 | 161 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 742 | Y | 20.4 | Very low | 24.1 | Very low | 223 Ų | 223 | 140.3 Ų | 140.3 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -80.1 | 134.9 | 153.1 | -92.4 | -106.5 | 0 | 0 | 0 | 108.8 | ||||
| 743 | H | 24.5 | Very low | 24 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -151 | 136.8 | 145.6 | -85.2 | -64.6 | 0 | 0 | 0 | 107.8 | ||||
| 744 | S | 22.1 | Very low | 24.2 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | cis | 84.7 | 33.7 | 14.6 | 91.5 | 0 | 0 | 0 | 0 | 118.4 | R746 | S744-R746 PolarHBondContact O-N 3.22Å; S744-R746 VanDerWaalsContact O-N 3.12Å | ||
| 745 | D | 25.4 | Very low | 24 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 96.2 | 164.4 | -81.1 | -48.2 | 0 | 0 | 0 | 113 | ||||
| 746 | R | 21 | Very low | 24.1 | Very low | 236 Ų | 236 | 144.4 Ų | 144.4 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -112.1 | 122.6 | 144.6 | -89.6 | -173.1 | 172.6 | -172.4 | -0.2 | 107.7 | S744 | S744-R746 PolarHBondContact O-N 3.22Å; S744-R746 VanDerWaalsContact O-N 3.12Å | ||
| 747 | S | 24.2 | Very low | 23.9 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -154 | 148.5 | 159.3 | -86.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 748 | P | 29.1 | Very low | 24 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -102.8 | 158.4 | -166.2 | 38.9 | -35 | 0 | 0 | 0 | 114.4 | ||||
| 749 | G | 24.4 | Very low | 24.1 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -158.6 | 126.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 750 | P | 27.6 | Very low | 23.9 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -101.2 | 144.8 | -169.9 | 36.6 | -33.5 | 0 | 0 | 0 | 114.4 | ||||
| 751 | S | 28.9 | Very low | 24.1 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 147.7 | 151.3 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 752 | K | 25.9 | Very low | 24 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -105.7 | 155.5 | -171.1 | -77.5 | -177.7 | 173.3 | -178.9 | 0 | 111.8 | ||||
| 753 | L | 22.8 | Very low | 24.2 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | 53 | 108.9 | 147.5 | -75.6 | 158.1 | 0 | 0 | 0 | 117.5 | E755 | L753-E755 HydrophobicContact CD2-CG 4.07Š| ||
| 754 | H | 26.8 | Very low | 24 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | -140 | 139.4 | 102.4 | -132.7 | -75.7 | 0 | 0 | 0 | 111.1 | |||||
| 755 | E | 21.1 | Very low | 24 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 71% | 0.71 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 146.7 | 175.6 | -63.1 | 167 | 116.3 | 0 | 0 | 110.6 | L753 | L753-E755 HydrophobicContact CD2-CG 4.07Š| ||
| 756 | C | 23.9 | Very low | 23.9 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -153.8 | 125.5 | 139.9 | -162.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 757 | N | 20.3 | Very low | 24.1 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -79.4 | 156.7 | 171.4 | -65.9 | -56.4 | 0 | 0 | 0 | 110.7 | ||||
| 758 | I | 26.3 | Very low | 24.1 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -162.2 | 153.6 | 145.5 | -101.9 | 150.2 | 0 | 0 | 0 | 108.6 | ||||
| 759 | D | 23.6 | Very low | 23.9 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -87.8 | 170.3 | -149.4 | -73.6 | -78.4 | 0 | 0 | 0 | 119.4 | ||||
| 760 | Y | 20.5 | Very low | 24.1 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -51 | 136 | 170.7 | -79.2 | -100.6 | 0 | 0 | 0 | 116 | ||||
| 761 | K | 23.5 | Very low | 24 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -164.8 | 133.4 | 135.7 | -98.6 | 162.2 | -173.9 | -178.6 | 0 | 106.8 | ||||
| 762 | K | 21.6 | Very low | 23.8 | Very low | 188 Ų | 188 | 149 Ų | 149 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | cis | 84.8 | 56.2 | 15.8 | -147.3 | -170.9 | -177.3 | -175.7 | 0 | 117.2 | ||||
| 763 | D | 23.6 | Very low | 23.7 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -138.2 | 138.6 | 155.4 | -61.6 | -68.5 | 0 | 0 | 0 | 106.4 | ||||
| 764 | L | 21 | Very low | 23.8 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | cis | 87.5 | 53.1 | 3.7 | -145.7 | 85.8 | 0 | 0 | 0 | 119.7 | ||||
| 765 | C | 23.3 | Very low | 23.6 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -135.9 | 142.3 | 144.8 | -102.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 766 | L | 22.2 | Very low | 23.6 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | 61.4 | 78.9 | 12.3 | -68.9 | 173.1 | 0 | 0 | 0 | 116 | ||||
| 767 | S | 25.8 | Very low | 23.7 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | -167.9 | 154.3 | 104.4 | 62 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 768 | S | 24.2 | Very low | 23.8 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -130.3 | 110.2 | 170.5 | 57.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 769 | A | 25.2 | Very low | 23.7 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -158.6 | 142 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 770 | S | 27.3 | Very low | 23.6 | Very low | 82 Ų | 82 | 147.4 Ų | 147.4 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | trans | 35.9 | 130.1 | 149 | -154.4 | 0 | 0 | 0 | 0 | 121.5 | F772 | S770-F772 PolarHBondContact OG-N 3.37Š| ||
| 771 | I | 26.2 | Very low | 23.7 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -92.9 | 12.1 | 171.4 | -160 | 165 | 0 | 0 | 0 | 113.6 | ||
| 772 | F | 24.6 | Very low | 23.7 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -91.8 | -4.4 | -174.4 | -85.6 | -75.7 | 0 | 0 | 0 | 115.8 | S770 | S770-F772 PolarHBondContact OG-N 3.37Š| ||
| 773 | D | 24.4 | Very low | 23.7 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -88.2 | 128.3 | 177.1 | -70.6 | -51.3 | 0 | 0 | 0 | 111.9 | ||
| 774 | T | 25.1 | Very low | 23.6 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 72 | 171 | -27.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 775 | V | 21.5 | Very low | 23.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -104.8 | 145.9 | 141.8 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 776 | Y | 22.5 | Very low | 23.7 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 74.9 | 104.7 | -175.4 | -51.7 | -75.1 | 0 | 0 | 0 | 117 | ||||
| 777 | I | 24.4 | Very low | 23.8 | Very low | 172 Ų | 172 | 140 Ų | 140 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | -177.9 | 153 | 126.1 | -94.7 | 160 | 0 | 0 | 0 | 109.2 | |||||
| 778 | E | 22.9 | Very low | 23.6 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -139.3 | 153.3 | -173.1 | -70.9 | -179.7 | 71.3 | 0 | 0 | 111.6 | ||||
| 779 | S | 23.8 | Very low | 23.6 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | cis | -133.3 | -106.4 | -13.8 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 780 | E | 21.9 | Very low | 23.5 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | cis | -148.7 | 147.1 | 0.5 | -129.5 | -144.2 | -162.7 | 0 | 0 | 110.2 | ||||
| 781 | N | 22.6 | Very low | 23.2 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | trans | 48.5 | 122.9 | 141.2 | -73 | -19.4 | 0 | 0 | 0 | 125.6 | ||||
| 782 | I | 22.9 | Very low | 23.1 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | 79.9 | 132.4 | 117.6 | -70.6 | 172.5 | 0 | 0 | 0 | 119 | |||||
| 783 | D | 21.5 | Very low | 23.2 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | cis | -168.9 | 178.1 | -4.2 | -173.7 | 18.2 | 0 | 0 | 0 | 111.4 | ||||
| 784 | Q | 22.7 | Very low | 23.2 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | trans | 122.5 | 124.1 | 145.9 | -64.2 | -156.2 | 25 | 0 | 0 | 120.5 | ||||
| 785 | N | 22.6 | Very low | 23.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 60% | 0.599 | 68% | 0.682 | S | S | * | * | trans | 72.1 | 145.2 | 145.7 | -63.5 | -36.9 | 0 | 0 | 0 | 119.6 | ||||
| 786 | K | 24 | Very low | 23.5 | Very low | 146 Ų | 146 | 133 Ų | 133 | 64% | 0.635 | 68% | 0.68 | S | S | * | * | cis | -164.4 | 148.7 | -6 | -119.1 | 166.7 | -178.7 | 174.9 | 0 | 114.2 | ||||
| 787 | Y | 23.1 | Very low | 23.8 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | trans | 64.3 | 133.2 | 154 | -66 | -58.4 | 0 | 0 | 0 | 124.5 | ||||
| 788 | I | 23.3 | Very low | 24.4 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 73% | 0.728 | 65% | 0.648 | S | S | * | * | trans | -140.7 | 157.2 | 155.5 | -65.8 | 177.2 | 0 | 0 | 0 | 106.6 | ||||
| 789 | S | 23.6 | Very low | 24.9 | Very low | 64 Ų | 64 | 120.4 Ų | 120.4 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | trans | -159.6 | 140.5 | 173.2 | 49.5 | 0 | 0 | 0 | 0 | 107.9 | I834 | S789-I834 VanDerWaalsContact C-CG2 3.46Å; S789-I834 WeakPolarHBondContact O-CG2 3.45Å | ||
| 790 | D | 22.2 | Very low | 25.4 | Very low | 98 Ų | 98 | 120.3 Ų | 120.3 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | cis | -174.6 | 108.5 | 10.4 | -93.3 | -28.5 | 0 | 0 | 0 | 111.3 | I834 V835 | D790-I834 HydrophobicContact CB-CG2 3.86Å; D790-V835 CarbonylContact C-O 3.53Å; D790-V835 WeakPolarHBondContact CA-O 3.44Å; D790-V835 PolarHBondContact N-O 3.49Å; D790-V835 PolarHBondContact O-N 2.7Å | ||
| 791 | C | 22.3 | Very low | 26.1 | Very low | 86 Ų | 86 | 118 Ų | 118 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | trans | 39.9 | 117.1 | 146.1 | -54 | 0 | 0 | 0 | 0 | 122.9 | V835 D836 | C791-V835 PolarHBondContact N-O 3.2Å; C791-D836 WeakPolarHBondContact CA-O 3.23Å; C791-D836 PolarHBondContact N-O 2.86Å | ||
| 792 | N | 24.2 | Very low | 26.9 | Very low | 128 Ų | 128 | 118 Ų | 118 | 68% | 0.684 | 61% | 0.605 | S | S | * | * | trans | 47.7 | 138.8 | 131.8 | -61.4 | -60.3 | 0 | 0 | 0 | 121.7 | ||||
| 793 | S | 25.8 | Very low | 27.5 | Very low | 95 Ų | 95 | 114.6 Ų | 114.6 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | 177.5 | 177.8 | 69.7 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 794 | Y | 24.4 | Very low | 28.3 | Very low | 214 Ų | 214 | 109.7 Ų | 109.7 | 84% | 0.839 | 56% | 0.562 | S | S | * | * | trans | 57.4 | 101.8 | 168 | -69.3 | -80 | 0 | 0 | 0 | 120.4 | ||||
| 795 | S | 26.9 | Very low | 29 | Very low | 52 Ų | 52 | 108.9 Ų | 108.9 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | -178.3 | 140.7 | 99.7 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 796 | S | 25.7 | Very low | 29.5 | Very low | 98 Ų | 98 | 112 Ų | 112 | 69% | 0.685 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -72.9 | -46.2 | -173.7 | -158.5 | 0 | 0 | 0 | 0 | 111.8 | I798 L799 | S796-I798 PolarHBondContact O-N 2.91Å; S796-L799 WeakPolarHBondContact O-CB 3.29Å; S796-L799 PolarHBondContact O-N 2.98Å |
| 797 | D | 29.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.2 | -16.3 | -175.1 | -34.8 | -62.3 | 0 | 0 | 0 | 111.8 | ||
| 798 | I | 36.9 | Very low | 30.3 | Very low | 66 Ų | 66 | 107.8 Ų | 107.8 | 34% | 0.338 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -86.8 | -10.4 | 174.7 | -50.3 | -176 | 0 | 0 | 0 | 110.9 | S796 K802 | S796-I798 PolarHBondContact O-N 2.91Å; I798-K802 HydrophobicContact CG2-CD 3.86Å; I798-K802 HydrophobicContact CG2-CG 4.05Å; I798-K802 VanDerWaalsContact O-CB 3.23Å; I798-K802 WeakPolarHBondContact O-CB 3.43Å; I798-K802 WeakPolarHBondContact O-CD 3.5Å; I798-K802 VanDerWaalsContact O-CG 3.23Å; I798-K802 WeakPolarHBondContact O-CG 3.5Å; I798-K802 PolarHBondContact O-N 3.37Å |
| 799 | L | 33.7 | Very low | 30.7 | Very low | 105 Ų | 105 | 105.4 Ų | 105.4 | 55% | 0.55 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.1 | -44.8 | -179.7 | -170.6 | 64.5 | 0 | 0 | 0 | 112.2 | S796 K802 L803 | S796-L799 WeakPolarHBondContact O-CB 3.29Å; S796-L799 PolarHBondContact O-N 2.98Å; L799-K802 PolarHBondContact O-N 3.04Å; L799-L803 HydrophobicContact CG-CD1 4.42Å; L799-L803 WeakPolarHBondContact O-CG 3.22Å; L799-L803 PolarHBondContact O-N 3.24Å |
| 800 | E | 34.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -46.2 | 173.7 | -62.9 | -169 | 137.8 | 0 | 0 | 110.6 | K802 L803 L804 | E800-K802 VanDerWaalsContact C-N 3.29Å; E800-K802 PolarHBondContact O-N 3.47Å; E800-L803 PolarHBondContact O-N 2.91Å; E800-L803 VanDerWaalsContact O-N 3.08Å; E800-L804 WeakPolarHBondContact O-CG 3.35Å; E800-L804 PolarHBondContact O-N 3.43Å |
| 801 | Q | 36.8 | Very low | 32 | Very low | 105 Ų | 105 | 112.4 Ų | 112.4 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.8 | -39.4 | 173.5 | -63.3 | -169.9 | 7.3 | 0 | 0 | 112.1 | L804 Q805 | Q801-L804 PolarHBondContact O-N 3.3Å; Q801-Q805 WeakPolarHBondContact O-CB 3.34Å; Q801-Q805 WeakPolarHBondContact O-CG 3.22Å; Q801-Q805 PolarHBondContact O-N 3.22Å |
| 802 | K | 38 | Very low | 32.8 | Very low | 108 Ų | 108 | 110.7 Ų | 110.7 | 47% | 0.47 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.9 | -28.6 | 175.4 | -80.8 | 164.9 | 178.5 | 161.8 | 0 | 113.7 | I798 L799 E800 L804 R806 | I798-K802 HydrophobicContact CG2-CD 3.86Å; I798-K802 HydrophobicContact CG2-CG 4.05Å; I798-K802 VanDerWaalsContact O-CB 3.23Å; I798-K802 WeakPolarHBondContact O-CB 3.43Å; I798-K802 WeakPolarHBondContact O-CD 3.5Å; I798-K802 VanDerWaalsContact O-CG 3.23Å; I798-K802 WeakPolarHBondContact O-CG 3.5Å; I798-K802 PolarHBondContact O-N 3.37Å; L799-K802 PolarHBondContact O-N 3.04Å; E800-K802 VanDerWaalsContact C-N 3.29Å; E800-K802 PolarHBondContact O-N 3.47Å; K802-L804 VanDerWaalsContact C-N 3.31Å; K802-R806 WeakPolarHBondContact O-CG 3.45Å; K802-R806 PolarHBondContact O-N 3.35Å |
| 803 | L | 36.4 | Very low | 33.3 | Very low | 76 Ų | 76 | 113.1 Ų | 113.1 | 40% | 0.398 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -77.2 | -18.5 | 174 | -71.1 | 170.4 | 0 | 0 | 0 | 112.8 | K218 L799 E800 | K218-L803 PolarHBondContact NZ-O 3.41Å; L799-L803 HydrophobicContact CG-CD1 4.42Å; L799-L803 WeakPolarHBondContact O-CG 3.22Å; L799-L803 PolarHBondContact O-N 3.24Å; E800-L803 PolarHBondContact O-N 2.91Å; E800-L803 VanDerWaalsContact O-N 3.08Å |
| 804 | L | 38.8 | Very low | 33.7 | Very low | 40 Ų | 40 | 113.8 Ų | 113.8 | 21% | 0.209 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -87 | -45.6 | 167.3 | -62.5 | 169.4 | 0 | 0 | 0 | 111.4 | C156 E157 L160 E800 Q801 K802 R806 | C156-L804 HydrophobicContact CB-CD2 4.35Å; E157-L804 HydrophobicContact CG-CD2 3.98Å; L160-L804 HydrophobicContact CD1-CD1 3.7Å; E800-L804 WeakPolarHBondContact O-CG 3.35Å; E800-L804 PolarHBondContact O-N 3.43Å; Q801-L804 PolarHBondContact O-N 3.3Å; K802-L804 VanDerWaalsContact C-N 3.31Å; L804-R806 VanDerWaalsContact C-N 3.33Å; L804-R806 PolarHBondContact O-N 3.48Å |
| 805 | Q | 37.9 | Very low | 34 | Very low | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -82 | 3.5 | -177.7 | -65.3 | 171.5 | 16.9 | 0 | 0 | 115 | Q801 K807 | Q801-Q805 WeakPolarHBondContact O-CB 3.34Å; Q801-Q805 WeakPolarHBondContact O-CG 3.22Å; Q801-Q805 PolarHBondContact O-N 3.22Å; Q805-K807 VanDerWaalsContact C-N 3.32Å; Q805-K807 PolarHBondContact O-N 3.16Å |
| 806 | R | 32.1 | Very low | 34.1 | Very low | 178 Ų | 178 | 113.3 Ų | 113.3 | 67% | 0.672 | 55% | 0.548 | S | S | * | . | trans | -62.1 | 96.2 | 170.8 | -105.7 | -172.2 | -179 | -158.6 | 0.8 | 108.4 | K802 L804 | K802-R806 WeakPolarHBondContact O-CG 3.45Å; K802-R806 PolarHBondContact O-N 3.35Å; L804-R806 VanDerWaalsContact C-N 3.33Å; L804-R806 PolarHBondContact O-N 3.48Å | ||
| 807 | K | 30.3 | Very low | 34.1 | Very low | 196 Ų | 196 | 117.1 Ų | 117.1 | 85% | 0.852 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 131 | 177 | -74.1 | -177.1 | 178.2 | 176.3 | 0 | 108.7 | Q805 | Q805-K807 VanDerWaalsContact C-N 3.32Å; Q805-K807 PolarHBondContact O-N 3.16Å |
| 808 | P | 33.3 | Very low | 34 | Very low | 58 Ų | 58 | 118.1 Ų | 118.1 | 38% | 0.377 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 156.8 | -163.8 | 25.7 | -35.9 | 0 | 0 | 0 | 112.6 | I812 | P808-I812 HydrophobicContact CB-CB 3.7Å; P808-I812 HydrophobicContact CB-CD1 3.88Å; P808-I812 HydrophobicContact CB-CG1 3.99Å; P808-I812 HydrophobicContact CG-CB 3.66Å; P808-I812 HydrophobicContact CG-CG2 4.28Å; P808-I812 WeakPolarHBondContact CG-O 3.32Å |
| 809 | C | 32.9 | Very low | 33.7 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 62% | 0.622 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 153.8 | 169.7 | -69.1 | 0 | 0 | 0 | 0 | 111 | R811 I812 | C809-R811 PolarHBondContact O-N 3.44Å; C809-I812 PolarHBondContact O-N 2.97Å; C809-I812 VanDerWaalsContact O-N 3.09Å |
| 810 | K | 36.6 | Very low | 33.4 | Very low | 203 Ų | 203 | 125.4 Ų | 125.4 | 88% | 0.883 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -15.7 | -158.4 | -67 | 175.6 | -179.3 | 170.7 | 0 | 117.1 | ||
| 811 | R | 36.4 | Very low | 32.8 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 40% | 0.4 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -36 | 176.7 | -77 | -177.5 | 167.5 | 93.6 | 5.5 | 114.9 | D229 T359 C809 K813 | D229-R811 IonicContact OD2-NH1 3.61Å; T359-R811 PolarHBondContact O-NE 3Å; T359-R811 PolarHBondContact O-NH2 3.39Å; T359-R811 PolarHBondContact OG1-NH2 2.97Å; C809-R811 PolarHBondContact O-N 3.44Å; R811-K813 PolarHBondContact O-N 3.11Å |
| 812 | I | 38.7 | Very low | 32.2 | Very low | 51 Ų | 51 | 129.8 Ų | 129.8 | 26% | 0.262 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | 56.7 | -175.3 | -37 | 179.6 | 0 | 0 | 0 | 111.5 | P808 C809 | P808-I812 HydrophobicContact CB-CB 3.7Å; P808-I812 HydrophobicContact CB-CD1 3.88Å; P808-I812 HydrophobicContact CB-CG1 3.99Å; P808-I812 HydrophobicContact CG-CB 3.66Å; P808-I812 HydrophobicContact CG-CG2 4.28Å; P808-I812 WeakPolarHBondContact CG-O 3.32Å; C809-I812 PolarHBondContact O-N 2.97Å; C809-I812 VanDerWaalsContact O-N 3.09Å |
| 813 | K | 35.3 | Very low | 31.4 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -5.7 | 167.1 | -82.9 | -170.7 | 171.7 | -174.1 | 0 | 113.8 | R811 | R811-K813 PolarHBondContact O-N 3.11Š|
| 814 | L | 33 | Very low | 30.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -98.3 | 12.2 | -171.2 | -69.1 | 166.3 | 0 | 0 | 0 | 114.8 | ||
| 815 | M | 30.6 | Very low | 30.1 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -129.9 | -16.3 | -176.9 | -89.3 | -174.3 | 46.6 | 0 | 0 | 116.6 | ||
| 816 | E | 28.7 | Very low | 29.4 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | trans | -126.8 | 85.7 | -177.1 | -67 | -166.6 | 134 | 0 | 0 | 112.9 | ||||
| 817 | Q | 26.9 | Very low | 29 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -137.4 | 83.3 | 158.3 | -75 | -161.3 | 5.4 | 0 | 0 | 110.7 | ||||
| 818 | K | 26.5 | Very low | 28.6 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | trans | -165.5 | 94.8 | 158.4 | -115.5 | 166.6 | -171.3 | 172.1 | 0 | 112.2 | ||||
| 819 | N | 30.6 | Very low | 28.1 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | -163.9 | 159.9 | 131.6 | -98.4 | -19.7 | 0 | 0 | 0 | 110 | ||||
| 820 | N | 27.4 | Very low | 27.5 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -88.2 | 163.1 | -150.1 | -81.5 | -27.6 | 0 | 0 | 0 | 116.3 | ||||
| 821 | C | 21.7 | Very low | 26.8 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -53.9 | 133.5 | 164.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 822 | L | 24.3 | Very low | 26.1 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 93% | 0.927 | 74% | 0.742 | S | S | * | * | trans | -129 | 125.3 | 141.3 | -95.8 | 168.7 | 0 | 0 | 0 | 107.6 | ||||
| 823 | K | 21.3 | Very low | 25.4 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -88.3 | 132.7 | 171.3 | -67.4 | 179.4 | 178.6 | 179.9 | 0 | 108.2 | ||||
| 824 | L | 25.6 | Very low | 24.9 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -151 | 134.5 | 148.2 | -106.2 | 167.4 | 0 | 0 | 0 | 108.8 | ||||
| 825 | S | 22.2 | Very low | 24.8 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -102.4 | 166.2 | 168.9 | 53.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 826 | E | 23.1 | Very low | 24.7 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | cis | -154.4 | 151.8 | 35.5 | -83.6 | -167.1 | 135.2 | 0 | 0 | 114.1 | ||||
| 827 | N | 23.1 | Very low | 24.7 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | trans | 64.4 | 122.1 | 135.6 | -61.3 | -21.7 | 0 | 0 | 0 | 124.7 | ||||
| 828 | V | 22.3 | Very low | 24.7 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | 77 | 130.1 | 126 | 172.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 829 | S | 23.3 | Very low | 25.3 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | cis | -136.5 | 164.9 | 25.1 | -58.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 830 | S | 20.8 | Very low | 26.3 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | trans | -44.6 | 142.7 | 172.7 | 53.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 831 | T | 22.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | -162.6 | 159.2 | 116.8 | 2.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 832 | T | 21 | Very low | 29 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 78% | 0.779 | 68% | 0.683 | S | S | * | * | trans | -83.4 | 163.9 | 177.7 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 833 | T | 24.5 | Very low | 30.7 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | cis | -158.2 | 140.7 | 33.9 | 42.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 834 | I | 24.1 | Very low | 32.6 | Very low | 103 Ų | 103 | 112.5 Ų | 112.5 | 53% | 0.528 | 65% | 0.654 | S | S | . | * | 73.9 | -176.2 | 126.8 | -56.2 | 169.2 | 0 | 0 | 0 | 119.8 | S789 D790 | S789-I834 VanDerWaalsContact C-CG2 3.46Å; S789-I834 WeakPolarHBondContact O-CG2 3.45Å; D790-I834 HydrophobicContact CB-CG2 3.86Å | |||
| 835 | V | 30.3 | Very low | 35 | Very low | 92 Ų | 92 | 104.7 Ų | 104.7 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | trans | -153.7 | 172.3 | -149.6 | -144.5 | 0 | 0 | 0 | 0 | 115.2 | D790 C791 | D790-V835 CarbonylContact C-O 3.53Å; D790-V835 WeakPolarHBondContact CA-O 3.44Å; D790-V835 PolarHBondContact N-O 3.49Å; D790-V835 PolarHBondContact O-N 2.7Å; C791-V835 PolarHBondContact N-O 3.2Å | ||
| 836 | D | 29 | Very low | 37.6 | Very low | 71 Ų | 71 | 102 Ų | 102 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | trans | 91.4 | 139.1 | 166.6 | -55.2 | -33.7 | 0 | 0 | 0 | 119 | C791 | C791-D836 WeakPolarHBondContact CA-O 3.23Å; C791-D836 PolarHBondContact N-O 2.86Å | ||
| 837 | N | 27.8 | Very low | 40 | Very low | 117 Ų | 117 | 98.6 Ų | 98.6 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | cis | 92.5 | 102.3 | 18.6 | -71.3 | -16.6 | 0 | 0 | 0 | 118.4 | ||||
| 838 | D | 27.5 | Very low | 42.2 | Very low | 153 Ų | 153 | 96.8 Ų | 96.8 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | 162.7 | 149.8 | 104.6 | -105.1 | -1.8 | 0 | 0 | 0 | 113.9 | |||||
| 839 | S | 39.2 | Very low | 44.9 | Very low | 75 Ų | 75 | 90.5 Ų | 90.5 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | trans | 141.6 | 114.6 | 157.9 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | S842 S843 | S839-S842 WeakPolarHBondContact OG-CB 3.48Å; S839-S843 PolarHBondContact O-N 2.99Å | ||
| 840 | S | 52.1 | Low | 47.6 | Very low | 97 Ų | 97 | 90.1 Ų | 90.1 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.8 | -36.5 | -173 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | S843 K844 | S840-S843 WeakPolarHBondContact O-CB 3.28Å; S840-S843 PolarHBondContact O-N 2.96Å; S840-K844 PolarHBondContact O-N 3.29Å |
| 841 | L | 46 | Very low | 50.2 | Low | 118 Ų | 118 | 88.6 Ų | 88.6 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -41.8 | 179.7 | -158.9 | 71.4 | 0 | 0 | 0 | 111.7 | S843 K844 Y845 C921 | L841-S843 VanDerWaalsContact C-N 3.34Å; L841-S843 PolarHBondContact O-N 3.41Å; L841-K844 PolarHBondContact O-N 2.83Å; L841-Y845 PolarHBondContact O-N 3.22Å; L841-C921 HydrophobicContact CD2-CB 3.86Å; L841-C921 HydrophobicContact CG-CB 4.31Å |
| 842 | S | 59.3 | Low | 52.5 | Low | 30 Ų | 30 | 83.5 Ų | 83.5 | 21% | 0.21 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -55.6 | -45.1 | 169.4 | 160.3 | 0 | 0 | 0 | 0 | 111.8 | S839 Y845 M846 F922 | S839-S842 WeakPolarHBondContact OG-CB 3.48Å; S842-Y845 PolarHBondContact O-N 3.45Å; S842-M846 WeakPolarHBondContact O-CB 3.32Å; S842-M846 WeakPolarHBondContact O-CG 3.34Å; S842-M846 PolarHBondContact O-N 3.03Å; S842-F922 VanDerWaalsContact OG-CE1 3.32Å; S842-F922 WeakPolarHBondContact OG-CE1 3.21Å |
| 843 | S | 59.8 | Low | 55 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 51% | 0.51 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 177.3 | -168.8 | 0 | 0 | 0 | 0 | 112.8 | S839 S840 L841 M846 T847 | S839-S843 PolarHBondContact O-N 2.99Å; S840-S843 WeakPolarHBondContact O-CB 3.28Å; S840-S843 PolarHBondContact O-N 2.96Å; L841-S843 VanDerWaalsContact C-N 3.34Å; L841-S843 PolarHBondContact O-N 3.41Å; S843-M846 PolarHBondContact O-N 3.5Å; S843-T847 PolarHBondContact O-N 3.48Å; S843-T847 PolarHBondContact O-OG1 2.97Å |
| 844 | K | 62 | Low | 57.3 | Low | 157 Ų | 157 | 79.5 Ų | 79.5 | 68% | 0.683 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 174.6 | -72.1 | -176.9 | 177.3 | -176.6 | 0 | 111.6 | S840 L841 T847 L848 | S840-K844 PolarHBondContact O-N 3.29Å; L841-K844 PolarHBondContact O-N 2.83Å; K844-T847 PolarHBondContact O-N 3.28Å; K844-L848 PolarHBondContact O-N 3.35Å |
| 845 | Y | 75.6 | Confident | 58.8 | Low | 10 Ų | 10 | 77.6 Ų | 77.6 | 4% | 0.039 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 174.7 | -178.6 | -83.9 | 0 | 0 | 0 | 112.1 | L841 S842 T847 L848 L849 F870 F907 L915 D918 A919 F922 | L841-Y845 PolarHBondContact O-N 3.22Å; S842-Y845 PolarHBondContact O-N 3.45Å; Y845-T847 PolarHBondContact O-N 3.29Å; Y845-L848 PolarHBondContact O-N 3.06Å; Y845-L848 VanDerWaalsContact O-N 3.13Å; Y845-L849 HydrophobicContact CD1-CB 4.26Å; Y845-L849 HydrophobicContact CE1-CB 4.07Å; Y845-L849 HydrophobicContact CE1-CD2 4.02Å; Y845-L849 HydrophobicContact CE1-CG 4.44Å; Y845-L849 VanDerWaalsContact O-CB 3.3Å; Y845-L849 WeakPolarHBondContact O-CB 3.42Å; Y845-L849 PolarHBondContact O-N 3.48Å; Y845-F870 HydrophobicContact CE1-CE1 4.38Å; Y845-F870 HydrophobicContact CE1-CE2 4.02Å; Y845-F870 AromaticContact CE1-CZ 3.62Å; Y845-F870 HydrophobicContact CE1-CZ 3.62Å; Y845-F907 WeakPolarHBondContact OH-CZ 3.39Å; Y845-L915 HydrophobicContact CD2-CD2 3.98Å; Y845-L915 HydrophobicContact CE2-CD2 3.51Å; Y845-L915 WeakPolarHBondContact CE2-O 3.26Å; Y845-L915 PolarHBondContact OH-O 3.33Å; Y845-D918 HydrophobicContact CD2-CB 3.64Å; Y845-D918 HydrophobicContact CE2-CB 3.65Å; Y845-A919 HydrophobicContact CE2-CB 4.31Å; Y845-F922 HydrophobicContact CD1-CD2 4.49Å; Y845-F922 AromaticContact CD1-CE2 3.32Å; Y845-F922 HydrophobicContact CD1-CE2 3.32Å; Y845-F922 AromaticContact CD1-CZ 3.75Å; Y845-F922 HydrophobicContact CD1-CZ 3.75Å; Y845-F922 HydrophobicContact CD2-CE2 4.44Å; Y845-F922 AromaticContact CE1-CE2 3.73Å; Y845-F922 HydrophobicContact CE1-CE2 3.73Å; Y845-F922 HydrophobicContact CE1-CZ 4.44Å; Y845-F922 AromaticContact CG-CE2 3.7Å; Y845-F922 HydrophobicContact CG-CE2 3.7Å; Y845-F922 HydrophobicContact CG-CZ 4.24Å |
| 846 | M | 77.6 | Confident | 59.4 | Low | 44 Ų | 44 | 80.7 Ų | 80.7 | 22% | 0.217 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.1 | -22.6 | -179.4 | -73.1 | -55.9 | -55.3 | 0 | 0 | 113 | S842 S843 L849 K850 L867 F870 F922 | S842-M846 WeakPolarHBondContact O-CB 3.32Å; S842-M846 WeakPolarHBondContact O-CG 3.34Å; S842-M846 PolarHBondContact O-N 3.03Å; S843-M846 PolarHBondContact O-N 3.5Å; M846-L849 HydrophobicContact CE-CD2 3.99Å; M846-L849 HydrophobicContact SD-CD2 4.01Å; M846-K850 WeakPolarHBondContact O-CB 3.32Å; M846-K850 WeakPolarHBondContact O-CD 3.48Å; M846-K850 WeakPolarHBondContact O-CG 3.23Å; M846-K850 PolarHBondContact O-N 3.49Å; M846-L867 HydrophobicContact CE-CD1 4.26Å; M846-F870 HydrophobicContact SD-CE1 3.83Å; M846-F922 HydrophobicContact CG-CZ 4.05Å; M846-F922 HydrophobicContact SD-CZ 4.09Å |
| 847 | T | 71.8 | Confident | 60.4 | Low | 87 Ų | 87 | 89.3 Ų | 89.3 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -76.9 | -48.4 | 171.6 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | S843 K844 Y845 L849 K850 S851 | S843-T847 PolarHBondContact O-N 3.48Å; S843-T847 PolarHBondContact O-OG1 2.97Å; K844-T847 PolarHBondContact O-N 3.28Å; Y845-T847 PolarHBondContact O-N 3.29Å; T847-L849 PolarHBondContact O-N 3.03Å; T847-K850 PolarHBondContact O-N 2.78Å; T847-K850 VanDerWaalsContact O-N 3.14Å; T847-S851 PolarHBondContact O-N 2.86Å; T847-S851 PolarHBondContact O-OG 2.79Å |
| 848 | L | 69.9 | Low | 61.6 | Low | 83 Ų | 83 | 87 Ų | 87 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.9 | -164 | 72.5 | 0 | 0 | 0 | 112.5 | K844 Y845 K850 S851 V852 L915 | K844-L848 PolarHBondContact O-N 3.35Å; Y845-L848 PolarHBondContact O-N 3.06Å; Y845-L848 VanDerWaalsContact O-N 3.13Å; L848-K850 VanDerWaalsContact C-N 3.35Å; L848-K850 PolarHBondContact O-N 2.72Å; L848-S851 WeakPolarHBondContact CA-OG 3.42Å; L848-S851 PolarHBondContact O-N 3.19Å; L848-S851 PolarHBondContact O-OG 3.28Å; L848-V852 WeakPolarHBondContact O-CG2 3.22Å; L848-V852 PolarHBondContact O-N 2.79Å; L848-L915 HydrophobicContact CB-CD2 4.41Å; L848-L915 HydrophobicContact CD2-CD2 4Å; L848-L915 HydrophobicContact CG-CD2 4.28Å |
| 849 | L | 79.5 | Confident | 63.4 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 172.6 | 177.4 | 65.9 | 0 | 0 | 0 | 111.2 | Y845 M846 T847 L853 L867 F870 F907 L915 | Y845-L849 HydrophobicContact CD1-CB 4.26Å; Y845-L849 HydrophobicContact CE1-CB 4.07Å; Y845-L849 HydrophobicContact CE1-CD2 4.02Å; Y845-L849 HydrophobicContact CE1-CG 4.44Å; Y845-L849 VanDerWaalsContact O-CB 3.3Å; Y845-L849 WeakPolarHBondContact O-CB 3.42Å; Y845-L849 PolarHBondContact O-N 3.48Å; M846-L849 HydrophobicContact CE-CD2 3.99Å; M846-L849 HydrophobicContact SD-CD2 4.01Å; T847-L849 PolarHBondContact O-N 3.03Å; L849-L853 HydrophobicContact CD1-CD1 3.76Å; L849-L853 HydrophobicContact CD1-CG 4.03Å; L849-L853 HydrophobicContact CG-CD1 3.86Å; L849-L853 HydrophobicContact CG-CG 4.43Å; L849-L853 VanDerWaalsContact O-CB 3.3Å; L849-L853 WeakPolarHBondContact O-CB 3.42Å; L849-L853 VanDerWaalsContact O-CG 3.27Å; L849-L853 WeakPolarHBondContact O-CG 3.45Å; L849-L853 PolarHBondContact O-N 3.04Å; L849-L867 HydrophobicContact CD2-CD1 4.11Å; L849-F870 HydrophobicContact CD2-CD1 3.57Å; L849-F870 HydrophobicContact CD2-CD2 4.28Å; L849-F870 HydrophobicContact CD2-CE1 3.69Å; L849-F870 HydrophobicContact CD2-CE2 4.38Å; L849-F870 HydrophobicContact CD2-CG 3.9Å; L849-F870 HydrophobicContact CD2-CZ 4.11Å; L849-F907 HydrophobicContact CD1-CE1 3.48Å; L849-F907 VanDerWaalsContact CD1-CE1 3.48Å; L849-F907 HydrophobicContact CD1-CZ 3.69Å; L849-L915 HydrophobicContact CD1-CD1 4.48Å |
| 850 | K | 80.4 | Confident | 64.9 | Low | 100 Ų | 100 | 89.5 Ų | 89.5 | 44% | 0.435 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 179.6 | -77.9 | 171.7 | -176.4 | 177.9 | 0 | 112.6 | M846 T847 L848 K854 | M846-K850 WeakPolarHBondContact O-CB 3.32Å; M846-K850 WeakPolarHBondContact O-CD 3.48Å; M846-K850 WeakPolarHBondContact O-CG 3.23Å; M846-K850 PolarHBondContact O-N 3.49Å; T847-K850 PolarHBondContact O-N 2.78Å; T847-K850 VanDerWaalsContact O-N 3.14Å; L848-K850 VanDerWaalsContact C-N 3.35Å; L848-K850 PolarHBondContact O-N 2.72Å; K850-K854 VanDerWaalsContact O-CB 3.28Å; K850-K854 WeakPolarHBondContact O-CB 3.38Å; K850-K854 PolarHBondContact O-N 3.35Å |
| 851 | S | 75.3 | Confident | 65.9 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | T847 L848 K854 | T847-S851 PolarHBondContact O-N 2.86Å; T847-S851 PolarHBondContact O-OG 2.79Å; L848-S851 WeakPolarHBondContact CA-OG 3.42Å; L848-S851 PolarHBondContact O-N 3.19Å; L848-S851 PolarHBondContact O-OG 3.28Å; S851-K854 PolarHBondContact O-N 2.89Å |
| 852 | V | 70.5 | Confident | 67.1 | Low | 38 Ų | 38 | 85.8 Ų | 85.8 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 178.1 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | L848 K854 S855 V912 L915 | L848-V852 WeakPolarHBondContact O-CG2 3.22Å; L848-V852 PolarHBondContact O-N 2.79Å; V852-K854 PolarHBondContact O-N 3.37Å; V852-S855 PolarHBondContact O-N 3.46Å; V852-S855 PolarHBondContact O-OG 3.4Å; V852-V912 HydrophobicContact CG1-CB 4.42Å; V852-V912 HydrophobicContact CG1-CG1 3.86Å; V852-V912 HydrophobicContact CG1-CG2 3.97Å; V852-L915 HydrophobicContact CB-CD1 3.73Å; V852-L915 HydrophobicContact CG1-CD1 3.82Å; V852-L915 HydrophobicContact CG2-CD1 3.8Å |
| 853 | L | 72.5 | Confident | 67.9 | Low | 8 Ų | 8 | 86.9 Ų | 86.9 | 4% | 0.042 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.7 | -14.8 | 176.2 | -73.7 | 176.7 | 0 | 0 | 0 | 113.6 | L849 Y863 R866 L867 L910 | L849-L853 HydrophobicContact CD1-CD1 3.76Å; L849-L853 HydrophobicContact CD1-CG 4.03Å; L849-L853 HydrophobicContact CG-CD1 3.86Å; L849-L853 HydrophobicContact CG-CG 4.43Å; L849-L853 VanDerWaalsContact O-CB 3.3Å; L849-L853 WeakPolarHBondContact O-CB 3.42Å; L849-L853 VanDerWaalsContact O-CG 3.27Å; L849-L853 WeakPolarHBondContact O-CG 3.45Å; L849-L853 PolarHBondContact O-N 3.04Å; L853-Y863 HydrophobicContact CB-CD2 3.82Å; L853-Y863 HydrophobicContact CB-CE2 3.97Å; L853-Y863 WeakPolarHBondContact O-CD2 3.32Å; L853-R866 HydrophobicContact CD2-CB 3.89Å; L853-L867 HydrophobicContact CD1-CB 4.09Å; L853-L867 HydrophobicContact CD1-CD1 4.13Å; L853-L910 HydrophobicContact CD2-CD1 3.58Å |
| 854 | K | 72.7 | Confident | 68.7 | Low | 143 Ų | 143 | 85.5 Ų | 85.5 | 62% | 0.622 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 23.3 | -179 | -158.5 | -175.3 | 175 | 180 | 0 | 112.3 | K850 S851 V852 Y863 | K850-K854 VanDerWaalsContact O-CB 3.28Å; K850-K854 WeakPolarHBondContact O-CB 3.38Å; K850-K854 PolarHBondContact O-N 3.35Å; S851-K854 PolarHBondContact O-N 2.89Å; V852-K854 PolarHBondContact O-N 3.37Å; K854-Y863 HydrophobicContact CB-CD2 4.28Å; K854-Y863 HydrophobicContact CB-CE2 4.22Å |
| 855 | S | 55.4 | Low | 69.6 | Low | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 43% | 0.429 | S | S | . | . | trans | -60.2 | 144.8 | 176.2 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | V852 T858 | V852-S855 PolarHBondContact O-N 3.46Å; V852-S855 PolarHBondContact O-OG 3.4Å; S855-T858 PolarHBondContact O-OG1 3.02Å | ||
| 856 | D | 43 | Very low | 69.8 | Low | 157 Ų | 157 | 84.4 Ų | 84.4 | 84% | 0.84 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 138.8 | -166.4 | -77.7 | -56.3 | 0 | 0 | 0 | 114.1 | ||
| 857 | R | 51.1 | Low | 70 | Confident | 252 Ų | 252 | 83 Ų | 83 | 95% | 0.951 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 31.5 | 176.9 | -46.7 | 178.9 | 177.9 | -162.9 | -1.5 | 116.7 | ||
| 858 | T | 53.6 | Low | 70.6 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | trans | -106.3 | 138.8 | 163.8 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | S855 | S855-T858 PolarHBondContact O-OG1 3.02Š| ||
| 859 | D | 63.7 | Low | 71.4 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 65% | 0.647 | 43% | 0.428 | S | S | * | . | trans | -62.2 | 143.8 | 174.2 | -88.3 | -47.5 | 0 | 0 | 0 | 111.3 | S861 V862 Y863 | D859-S861 PolarHBondContact O-N 3.47Å; D859-S861 VanDerWaalsContact O-N 3.11Å; D859-V862 HydrophobicContact CB-CG2 4.17Å; D859-V862 PolarHBondContact O-N 3.2Å; D859-Y863 PolarHBondContact O-N 2.97Å; D859-Y863 VanDerWaalsContact O-N 3.11Å | ||
| 860 | E | 71.1 | Confident | 71.9 | Confident | 158 Ų | 158 | 82.6 Ų | 82.6 | 74% | 0.738 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -57.6 | -29.2 | 176.6 | -71.9 | -153.8 | 132.5 | 0 | 0 | 112.7 | A864 | E860-A864 WeakPolarHBondContact O-CB 3.38Å; E860-A864 PolarHBondContact O-N 2.95Å |
| 861 | S | 73.4 | Confident | 72.1 | Confident | 82 Ų | 82 | 82 Ų | 82 | 57% | 0.573 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.1 | -38.1 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | D859 S865 | D859-S861 PolarHBondContact O-N 3.47Å; D859-S861 VanDerWaalsContact O-N 3.11Å; S861-S865 WeakPolarHBondContact O-CB 3.4Å; S861-S865 PolarHBondContact O-N 3.14Å |
| 862 | V | 71.8 | Confident | 72.8 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75 | -41.1 | 179 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | D859 S865 R866 | D859-V862 HydrophobicContact CB-CG2 4.17Å; D859-V862 PolarHBondContact O-N 3.2Å; V862-S865 PolarHBondContact O-N 3.45Å; V862-R866 WeakPolarHBondContact O-CG 3.43Å; V862-R866 PolarHBondContact O-N 3.15Å |
| 863 | Y | 74.7 | Confident | 73.7 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 21% | 0.208 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 170.1 | 164.5 | -100.8 | 0 | 0 | 0 | 111.5 | L853 K854 D859 S865 R866 L867 | L853-Y863 HydrophobicContact CB-CD2 3.82Å; L853-Y863 HydrophobicContact CB-CE2 3.97Å; L853-Y863 WeakPolarHBondContact O-CD2 3.32Å; K854-Y863 HydrophobicContact CB-CD2 4.28Å; K854-Y863 HydrophobicContact CB-CE2 4.22Å; D859-Y863 PolarHBondContact O-N 2.97Å; D859-Y863 VanDerWaalsContact O-N 3.11Å; Y863-S865 PolarHBondContact O-N 2.8Å; Y863-R866 PolarHBondContact O-N 3.41Å; Y863-L867 HydrophobicContact CE1-CD2 4.27Å; Y863-L867 HydrophobicContact CE2-CD2 4.47Å; Y863-L867 WeakPolarHBondContact O-CB 3.32Å; Y863-L867 PolarHBondContact O-N 3.21Å |
| 864 | A | 76.7 | Confident | 74.5 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E860 N868 | E860-A864 WeakPolarHBondContact O-CB 3.38Å; E860-A864 PolarHBondContact O-N 2.95Å; A864-N868 WeakPolarHBondContact O-CB 3.48Å; A864-N868 PolarHBondContact O-N 3.3Å |
| 865 | S | 82 | Confident | 75.1 | Confident | 62 Ų | 62 | 80.7 Ų | 80.7 | 43% | 0.434 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.5 | -61.3 | 172.2 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | S861 V862 Y863 L867 N868 D869 | S861-S865 WeakPolarHBondContact O-CB 3.4Å; S861-S865 PolarHBondContact O-N 3.14Å; V862-S865 PolarHBondContact O-N 3.45Å; Y863-S865 PolarHBondContact O-N 2.8Å; S865-L867 PolarHBondContact O-N 3.45Å; S865-L867 VanDerWaalsContact O-N 3.16Å; S865-N868 CarbonylContact O-C 3.6Å; S865-N868 WeakPolarHBondContact O-CA 3.45Å; S865-N868 WeakPolarHBondContact O-CB 3.32Å; S865-N868 PolarHBondContact O-N 3.12Å; S865-D869 PolarHBondContact O-N 3.09Å; S865-D869 PolarHBondContact OG-OD2 3.05Å |
| 866 | R | 79.6 | Confident | 76.6 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | -174.8 | -67.3 | -175.9 | -172.6 | -151.6 | 5.5 | 112.8 | L853 V862 Y863 D869 F870 | L853-R866 HydrophobicContact CD2-CB 3.89Å; V862-R866 WeakPolarHBondContact O-CG 3.43Å; V862-R866 PolarHBondContact O-N 3.15Å; Y863-R866 PolarHBondContact O-N 3.41Å; R866-D869 WeakPolarHBondContact CA-OD2 3.47Å; R866-D869 PolarHBondContact N-OD2 3.42Å; R866-F870 PolarHBondContact O-N 3.12Å; R866-F870 VanDerWaalsContact O-N 3.08Å |
| 867 | L | 82 | Confident | 78.8 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.5 | -30.4 | 174.8 | -175.9 | 60.9 | 0 | 0 | 0 | 112.8 | M846 L849 L853 Y863 S865 K871 | M846-L867 HydrophobicContact CE-CD1 4.26Å; L849-L867 HydrophobicContact CD2-CD1 4.11Å; L853-L867 HydrophobicContact CD1-CB 4.09Å; L853-L867 HydrophobicContact CD1-CD1 4.13Å; Y863-L867 HydrophobicContact CE1-CD2 4.27Å; Y863-L867 HydrophobicContact CE2-CD2 4.47Å; Y863-L867 WeakPolarHBondContact O-CB 3.32Å; Y863-L867 PolarHBondContact O-N 3.21Å; S865-L867 PolarHBondContact O-N 3.45Å; S865-L867 VanDerWaalsContact O-N 3.16Å; L867-K871 VanDerWaalsContact O-CG 3.26Å; L867-K871 WeakPolarHBondContact O-CG 3.48Å; L867-K871 PolarHBondContact O-N 2.89Å |
| 868 | N | 84 | Confident | 80.4 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -77.2 | -37.4 | 170.9 | -80.6 | -9.6 | 0 | 0 | 0 | 112.3 | A864 S865 F870 K871 Q872 | A864-N868 WeakPolarHBondContact O-CB 3.48Å; A864-N868 PolarHBondContact O-N 3.3Å; S865-N868 CarbonylContact O-C 3.6Å; S865-N868 WeakPolarHBondContact O-CA 3.45Å; S865-N868 WeakPolarHBondContact O-CB 3.32Å; S865-N868 PolarHBondContact O-N 3.12Å; N868-F870 VanDerWaalsContact C-N 3.33Å; N868-F870 PolarHBondContact O-N 3.03Å; N868-K871 WeakPolarHBondContact O-CB 3.43Å; N868-K871 PolarHBondContact O-N 3.3Å; N868-K871 VanDerWaalsContact O-N 3.15Å; N868-K871 PolarHBondContact OD1-NZ 3.32Å; N868-Q872 WeakPolarHBondContact O-CB 3.32Å; N868-Q872 PolarHBondContact O-N 3.01Å |
| 869 | D | 86.6 | Confident | 81.8 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.7 | -48.9 | 174 | -61 | -42.8 | 0 | 0 | 0 | 110 | S865 R866 K871 Q872 V873 I906 | S865-D869 PolarHBondContact O-N 3.09Å; S865-D869 PolarHBondContact OG-OD2 3.05Å; R866-D869 WeakPolarHBondContact CA-OD2 3.47Å; R866-D869 PolarHBondContact N-OD2 3.42Å; D869-K871 PolarHBondContact O-N 3.31Å; D869-Q872 PolarHBondContact O-N 3.05Å; D869-V873 VanDerWaalsContact O-CG2 3.29Å; D869-V873 WeakPolarHBondContact O-CG2 3.17Å; D869-V873 PolarHBondContact O-N 3.15Å; D869-I906 HydrophobicContact CB-CD1 4.14Å |
| 870 | F | 88.7 | Confident | 82.6 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 173.6 | 177 | -93.6 | 0 | 0 | 0 | 112.6 | Y845 M846 L849 R866 N868 Q872 V873 M874 L903 I906 F907 F922 | Y845-F870 HydrophobicContact CE1-CE1 4.38Å; Y845-F870 HydrophobicContact CE1-CE2 4.02Å; Y845-F870 AromaticContact CE1-CZ 3.62Å; Y845-F870 HydrophobicContact CE1-CZ 3.62Å; M846-F870 HydrophobicContact SD-CE1 3.83Å; L849-F870 HydrophobicContact CD2-CD1 3.57Å; L849-F870 HydrophobicContact CD2-CD2 4.28Å; L849-F870 HydrophobicContact CD2-CE1 3.69Å; L849-F870 HydrophobicContact CD2-CE2 4.38Å; L849-F870 HydrophobicContact CD2-CG 3.9Å; L849-F870 HydrophobicContact CD2-CZ 4.11Å; R866-F870 PolarHBondContact O-N 3.12Å; R866-F870 VanDerWaalsContact O-N 3.08Å; N868-F870 VanDerWaalsContact C-N 3.33Å; N868-F870 PolarHBondContact O-N 3.03Å; F870-Q872 VanDerWaalsContact C-N 3.32Å; F870-Q872 PolarHBondContact O-N 2.86Å; F870-V873 PolarHBondContact O-N 3.37Å; F870-M874 HydrophobicContact CD1-CG 4.35Å; F870-M874 HydrophobicContact CD2-CG 4.46Å; F870-M874 HydrophobicContact CE1-CG 3.91Å; F870-M874 HydrophobicContact CE2-CG 4.04Å; F870-M874 HydrophobicContact CE2-SD 4.45Å; F870-M874 HydrophobicContact CZ-CG 3.73Å; F870-M874 HydrophobicContact CZ-SD 4.42Å; F870-M874 WeakPolarHBondContact O-CB 3.48Å; F870-M874 VanDerWaalsContact O-CG 3.32Å; F870-M874 WeakPolarHBondContact O-CG 3.48Å; F870-M874 PolarHBondContact O-N 3.14Å; F870-L903 HydrophobicContact CD2-CD2 3.71Å; F870-L903 HydrophobicContact CE2-CD2 3.84Å; F870-I906 HydrophobicContact CB-CD1 4.18Å; F870-F907 HydrophobicContact CD2-CE2 4.13Å; F870-F907 AromaticContact CD2-CZ 3.87Å; F870-F907 HydrophobicContact CD2-CZ 3.87Å; F870-F907 HydrophobicContact CE2-CE2 4.18Å; F870-F907 HydrophobicContact CE2-CZ 4.02Å; F870-F922 HydrophobicContact CZ-CE2 4.4Å |
| 871 | K | 86.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 61 Ų | 61 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.7 | -71.3 | 168.4 | -157.6 | 156.9 | 0 | 111.8 | L867 N868 D869 M874 Q875 | L867-K871 VanDerWaalsContact O-CG 3.26Å; L867-K871 WeakPolarHBondContact O-CG 3.48Å; L867-K871 PolarHBondContact O-N 2.89Å; N868-K871 WeakPolarHBondContact O-CB 3.43Å; N868-K871 PolarHBondContact O-N 3.3Å; N868-K871 VanDerWaalsContact O-N 3.15Å; N868-K871 PolarHBondContact OD1-NZ 3.32Å; D869-K871 PolarHBondContact O-N 3.31Å; K871-M874 PolarHBondContact O-N 2.79Å; K871-Q875 WeakPolarHBondContact O-CB 3.38Å; K871-Q875 VanDerWaalsContact O-CG 3.32Å; K871-Q875 WeakPolarHBondContact O-CG 3.38Å; K871-Q875 PolarHBondContact O-N 3.13Å |
| 872 | Q | 89.5 | Confident | 83 | Confident | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.6 | -48.6 | -178.8 | 177 | 169.3 | -22.8 | 0 | 0 | 110.6 | N868 D869 F870 M874 Q875 E876 | N868-Q872 WeakPolarHBondContact O-CB 3.32Å; N868-Q872 PolarHBondContact O-N 3.01Å; D869-Q872 PolarHBondContact O-N 3.05Å; F870-Q872 VanDerWaalsContact C-N 3.32Å; F870-Q872 PolarHBondContact O-N 2.86Å; Q872-M874 VanDerWaalsContact C-N 3.32Å; Q872-M874 PolarHBondContact O-N 3.45Å; Q872-Q875 CarbonylContact O-C 3.5Å; Q872-Q875 WeakPolarHBondContact O-CA 3.24Å; Q872-Q875 WeakPolarHBondContact O-CB 3.47Å; Q872-Q875 PolarHBondContact O-N 3.02Å; Q872-E876 HydrophobicContact CG-CG 4.32Å; Q872-E876 VanDerWaalsContact CG-OE1 3.32Å; Q872-E876 WeakPolarHBondContact CG-OE1 3.17Å; Q872-E876 PolarHBondContact NE2-OE1 2.93Å; Q872-E876 WeakPolarHBondContact O-CG 3.33Å; Q872-E876 PolarHBondContact O-N 3Å |
| 873 | V | 89.9 | Confident | 83 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.5 | -46.8 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | D869 F870 Q875 E876 Y877 L899 Q902 L903 I906 | D869-V873 VanDerWaalsContact O-CG2 3.29Å; D869-V873 WeakPolarHBondContact O-CG2 3.17Å; D869-V873 PolarHBondContact O-N 3.15Å; F870-V873 PolarHBondContact O-N 3.37Å; V873-Q875 VanDerWaalsContact C-N 3.32Å; V873-Q875 PolarHBondContact O-N 3.21Å; V873-E876 PolarHBondContact O-N 3.32Å; V873-Y877 WeakPolarHBondContact O-CB 3.5Å; V873-Y877 PolarHBondContact O-N 3.49Å; V873-L899 HydrophobicContact CG1-CD1 3.66Å; V873-Q902 HydrophobicContact CB-CB 4.3Å; V873-Q902 HydrophobicContact CG1-CB 3.58Å; V873-Q902 HydrophobicContact CG1-CG 4.48Å; V873-Q902 HydrophobicContact CG2-CB 3.68Å; V873-Q902 HydrophobicContact CG2-CG 4.22Å; V873-L903 HydrophobicContact CB-CD2 4.37Å; V873-L903 HydrophobicContact CG1-CD2 3.67Å; V873-L903 HydrophobicContact CG1-CG 3.92Å; V873-I906 HydrophobicContact CG2-CD1 4.31Å |
| 874 | M | 88.2 | Confident | 82.5 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.5 | -27.5 | 177.3 | -65.5 | -51.7 | -54.8 | 0 | 0 | 113.6 | F870 K871 Q872 Y877 R878 L899 L903 F922 | F870-M874 HydrophobicContact CD1-CG 4.35Å; F870-M874 HydrophobicContact CD2-CG 4.46Å; F870-M874 HydrophobicContact CE1-CG 3.91Å; F870-M874 HydrophobicContact CE2-CG 4.04Å; F870-M874 HydrophobicContact CE2-SD 4.45Å; F870-M874 HydrophobicContact CZ-CG 3.73Å; F870-M874 HydrophobicContact CZ-SD 4.42Å; F870-M874 WeakPolarHBondContact O-CB 3.48Å; F870-M874 VanDerWaalsContact O-CG 3.32Å; F870-M874 WeakPolarHBondContact O-CG 3.48Å; F870-M874 PolarHBondContact O-N 3.14Å; K871-M874 PolarHBondContact O-N 2.79Å; Q872-M874 VanDerWaalsContact C-N 3.32Å; Q872-M874 PolarHBondContact O-N 3.45Å; M874-Y877 HydrophobicContact CE-CD1 3.97Å; M874-R878 VanDerWaalsContact O-CG 3.28Å; M874-R878 WeakPolarHBondContact O-CG 3.17Å; M874-R878 PolarHBondContact O-N 3.46Å; M874-L899 HydrophobicContact SD-CD1 4.02Å; M874-L903 HydrophobicContact SD-CD1 4.22Å; M874-L903 HydrophobicContact SD-CD2 4.28Å; M874-F922 HydrophobicContact CE-CB 3.4Å; M874-F922 VanDerWaalsContact CE-CB 3.4Å; M874-F922 HydrophobicContact CE-CG 4.12Å |
| 875 | Q | 85.3 | Confident | 81.6 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.9 | -40.1 | 170.6 | -77.4 | -175 | 23.2 | 0 | 0 | 112.6 | K871 Q872 V873 R878 K879 | K871-Q875 WeakPolarHBondContact O-CB 3.38Å; K871-Q875 VanDerWaalsContact O-CG 3.32Å; K871-Q875 WeakPolarHBondContact O-CG 3.38Å; K871-Q875 PolarHBondContact O-N 3.13Å; Q872-Q875 CarbonylContact O-C 3.5Å; Q872-Q875 WeakPolarHBondContact O-CA 3.24Å; Q872-Q875 WeakPolarHBondContact O-CB 3.47Å; Q872-Q875 PolarHBondContact O-N 3.02Å; V873-Q875 VanDerWaalsContact C-N 3.32Å; V873-Q875 PolarHBondContact O-N 3.21Å; Q875-R878 PolarHBondContact O-N 3.39Å; Q875-K879 WeakPolarHBondContact O-CB 3.3Å; Q875-K879 WeakPolarHBondContact O-CD 3.28Å; Q875-K879 WeakPolarHBondContact O-CG 3.49Å; Q875-K879 PolarHBondContact O-N 2.92Å |
| 876 | E | 87.1 | Confident | 80.2 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 177.1 | -76.1 | 174.9 | -171.2 | 0 | 0 | 110.8 | Q872 V873 K879 S880 Q902 | Q872-E876 HydrophobicContact CG-CG 4.32Å; Q872-E876 VanDerWaalsContact CG-OE1 3.32Å; Q872-E876 WeakPolarHBondContact CG-OE1 3.17Å; Q872-E876 PolarHBondContact NE2-OE1 2.93Å; Q872-E876 WeakPolarHBondContact O-CG 3.33Å; Q872-E876 PolarHBondContact O-N 3Å; V873-E876 PolarHBondContact O-N 3.32Å; E876-K879 PolarHBondContact O-N 3.01Å; E876-S880 VanDerWaalsContact O-CB 3.32Å; E876-S880 WeakPolarHBondContact O-CB 3.33Å; E876-S880 PolarHBondContact O-N 3.41Å; E876-S880 PolarHBondContact O-OG 3.39Å; E876-Q902 PolarHBondContact OE2-NE2 3.23Å |
| 877 | Y | 89.4 | Confident | 78.7 | Confident | 7 Ų | 7 | 79.6 Ų | 79.6 | 3% | 0.027 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.6 | -52.5 | 170.2 | 173.2 | -120.6 | 0 | 0 | 0 | 112.4 | V873 M874 K879 S880 I881 L895 I896 L899 I923 L924 H927 | V873-Y877 WeakPolarHBondContact O-CB 3.5Å; V873-Y877 PolarHBondContact O-N 3.49Å; M874-Y877 HydrophobicContact CE-CD1 3.97Å; Y877-K879 PolarHBondContact O-N 2.82Å; Y877-S880 PolarHBondContact O-N 3.43Å; Y877-S880 VanDerWaalsContact O-N 3.15Å; Y877-I881 HydrophobicContact CD1-CD1 3.98Å; Y877-I881 HydrophobicContact CD2-CD1 4.06Å; Y877-I881 HydrophobicContact CD2-CG1 4.44Å; Y877-I881 HydrophobicContact CE1-CD1 3.59Å; Y877-I881 HydrophobicContact CE2-CD1 3.66Å; Y877-I881 HydrophobicContact CE2-CG1 4.11Å; Y877-I881 HydrophobicContact CG-CD1 4.21Å; Y877-I881 VanDerWaalsContact CZ-CD1 3.41Å; Y877-I881 WeakPolarHBondContact O-CG1 3.48Å; Y877-I881 PolarHBondContact O-N 2.84Å; Y877-L895 HydrophobicContact CD2-CD2 3.54Å; Y877-L895 HydrophobicContact CE2-CD2 3.47Å; Y877-L895 VanDerWaalsContact CE2-CD2 3.47Å; Y877-I896 HydrophobicContact CD2-CD1 4.43Å; Y877-I896 HydrophobicContact CE2-CD1 3.52Å; Y877-L899 HydrophobicContact CD1-CD2 4.1Å; Y877-L899 HydrophobicContact CD2-CB 4.4Å; Y877-L899 HydrophobicContact CD2-CD2 3.73Å; Y877-L899 HydrophobicContact CD2-CG 4.48Å; Y877-L899 HydrophobicContact CE1-CD2 4.2Å; Y877-L899 HydrophobicContact CE2-CD2 3.85Å; Y877-L899 HydrophobicContact CG-CD1 4.29Å; Y877-L899 HydrophobicContact CG-CD2 3.87Å; Y877-I923 HydrophobicContact CE1-CG1 4.33Å; Y877-L924 PolarHBondContact OH-N 3.02Å; Y877-H927 PolarHBondContact OH-ND1 3.44Å |
| 878 | R | 83.4 | Confident | 76.7 | Confident | 144 Ų | 144 | 85.7 Ų | 85.7 | 54% | 0.543 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 178.1 | -73.8 | 172.9 | 178.2 | -179 | -0.4 | 113 | M874 Q875 S880 S882 | M874-R878 VanDerWaalsContact O-CG 3.28Å; M874-R878 WeakPolarHBondContact O-CG 3.17Å; M874-R878 PolarHBondContact O-N 3.46Å; Q875-R878 PolarHBondContact O-N 3.39Å; R878-S880 VanDerWaalsContact C-N 3.34Å; R878-S882 PolarHBondContact O-N 2.74Å |
| 879 | K | 83.1 | Confident | 75.3 | Confident | 114 Ų | 114 | 88 Ų | 88 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 174.2 | -74.1 | 165.2 | -175.6 | 166.1 | 0 | 111.3 | Q875 E876 Y877 S882 K883 | Q875-K879 WeakPolarHBondContact O-CB 3.3Å; Q875-K879 WeakPolarHBondContact O-CD 3.28Å; Q875-K879 WeakPolarHBondContact O-CG 3.49Å; Q875-K879 PolarHBondContact O-N 2.92Å; E876-K879 PolarHBondContact O-N 3.01Å; Y877-K879 PolarHBondContact O-N 2.82Å; K879-S882 PolarHBondContact O-N 3.43Å; K879-S882 PolarHBondContact O-OG 2.86Å; K879-K883 WeakPolarHBondContact O-CG 3.39Å; K879-K883 PolarHBondContact O-N 2.88Å |
| 880 | S | 82.2 | Confident | 73.8 | Confident | 47 Ų | 47 | 88.7 Ų | 88.7 | 33% | 0.329 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 179 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | E876 Y877 R878 K883 N884 | E876-S880 VanDerWaalsContact O-CB 3.32Å; E876-S880 WeakPolarHBondContact O-CB 3.33Å; E876-S880 PolarHBondContact O-N 3.41Å; E876-S880 PolarHBondContact O-OG 3.39Å; Y877-S880 PolarHBondContact O-N 3.43Å; Y877-S880 VanDerWaalsContact O-N 3.15Å; R878-S880 VanDerWaalsContact C-N 3.34Å; S880-K883 PolarHBondContact O-N 2.89Å; S880-N884 PolarHBondContact O-N 2.89Å |
| 881 | I | 80.7 | Confident | 72.5 | Confident | 30 Ų | 30 | 93.2 Ų | 93.2 | 15% | 0.154 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -55.1 | -51.8 | 168.2 | -70.6 | 159.3 | 0 | 0 | 0 | 110.6 | Y877 K883 N884 L924 | Y877-I881 HydrophobicContact CD1-CD1 3.98Å; Y877-I881 HydrophobicContact CD2-CD1 4.06Å; Y877-I881 HydrophobicContact CD2-CG1 4.44Å; Y877-I881 HydrophobicContact CE1-CD1 3.59Å; Y877-I881 HydrophobicContact CE2-CD1 3.66Å; Y877-I881 HydrophobicContact CE2-CG1 4.11Å; Y877-I881 HydrophobicContact CG-CD1 4.21Å; Y877-I881 VanDerWaalsContact CZ-CD1 3.41Å; Y877-I881 WeakPolarHBondContact O-CG1 3.48Å; Y877-I881 PolarHBondContact O-N 2.84Å; I881-K883 PolarHBondContact O-N 3.23Å; I881-N884 PolarHBondContact O-N 3.12Å; I881-N884 VanDerWaalsContact O-N 3.1Å; I881-L924 HydrophobicContact CD1-CD1 3.6Å; I881-L924 HydrophobicContact CD1-CG 4.15Å; I881-L924 HydrophobicContact CG1-CD1 4.05Å; I881-L924 HydrophobicContact CG2-CD1 3.84Å |
| 882 | S | 72.2 | Confident | 71.7 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 58% | 0.58 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.7 | -24.8 | -173.6 | 69.6 | 0 | 0 | 0 | 0 | 113.9 | R878 K879 | R878-S882 PolarHBondContact O-N 2.74Å; K879-S882 PolarHBondContact O-N 3.43Å; K879-S882 PolarHBondContact O-OG 2.86Å |
| 883 | K | 71.7 | Confident | 71.2 | Confident | 176 Ų | 176 | 89.2 Ų | 89.2 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -81.8 | -30.6 | 174.8 | -72.7 | -179.9 | 176.1 | -175.1 | 0 | 113.8 | K879 S880 I881 | K879-K883 WeakPolarHBondContact O-CG 3.39Å; K879-K883 PolarHBondContact O-N 2.88Å; S880-K883 PolarHBondContact O-N 2.89Å; I881-K883 PolarHBondContact O-N 3.23Å |
| 884 | N | 64.5 | Low | 70.9 | Confident | 67 Ų | 67 | 94.6 Ų | 94.6 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -99.2 | 4.7 | -167.5 | -75.4 | -2.7 | 0 | 0 | 0 | 115.3 | S880 I881 N886 S887 | S880-N884 PolarHBondContact O-N 2.89Å; I881-N884 PolarHBondContact O-N 3.12Å; I881-N884 VanDerWaalsContact O-N 3.1Å; N884-N886 PolarHBondContact O-N 3.45Å; N884-S887 PolarHBondContact O-N 3.21Å; N884-S887 VanDerWaalsContact O-N 3.09Å |
| 885 | R | 56.6 | Low | 70.9 | Confident | 212 Ų | 212 | 95.3 Ų | 95.3 | 80% | 0.8 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -14.9 | -175.2 | -94.4 | -174 | 167.2 | -177 | -5.8 | 117.1 | ||
| 886 | N | 51.8 | Low | 71.1 | Confident | 160 Ų | 160 | 90.5 Ų | 90.5 | 86% | 0.856 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 11.6 | -177.9 | -63.6 | 8.4 | 0 | 0 | 0 | 113.8 | N884 | N884-N886 PolarHBondContact O-N 3.45Š|
| 887 | S | 48.9 | Very low | 71.2 | Confident | 70 Ų | 70 | 90.7 Ų | 90.7 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -122 | 113.6 | -175.5 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | N884 N889 | N884-S887 PolarHBondContact O-N 3.21Å; N884-S887 VanDerWaalsContact O-N 3.09Å; S887-N889 PolarHBondContact O-N 3.17Å |
| 888 | L | 39.6 | Very low | 71.2 | Confident | 144 Ų | 144 | 94.1 Ų | 94.1 | 75% | 0.754 | 48% | 0.479 | S | S | * | . | trans | -69.5 | 130.5 | -175 | -83 | 77.2 | 0 | 0 | 0 | 113.6 | S890 | L888-S890 VanDerWaalsContact C-N 3.27Å; L888-S890 PolarHBondContact O-N 3.35Å | ||
| 889 | N | 54.6 | Low | 71.7 | Confident | 138 Ų | 138 | 87.3 Ų | 87.3 | 74% | 0.738 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 55.7 | -18.3 | 148.8 | -61.6 | -2.7 | 0 | 0 | 0 | 121.7 | S887 S892 | S887-N889 PolarHBondContact O-N 3.17Å; N889-S892 PolarHBondContact O-OG 3.41Å |
| 890 | S | 56 | Low | 72.1 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 56% | 0.559 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -85.9 | -40.2 | -179.2 | 64 | 0 | 0 | 0 | 0 | 113.6 | L888 | L888-S890 VanDerWaalsContact C-N 3.27Å; L888-S890 PolarHBondContact O-N 3.35Å |
| 891 | H | 61.4 | Low | 72.6 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -86.3 | -11.7 | -171.8 | -79.5 | 47.9 | 0 | 0 | 0 | 114.5 | L895 | H891-L895 VanDerWaalsContact O-CB 3.28Å; H891-L895 WeakPolarHBondContact O-CB 3.38Å; H891-L895 PolarHBondContact O-N 2.82Å; H891-L895 VanDerWaalsContact O-N 3.17Å |
| 892 | S | 69.5 | Low | 73.1 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | -178.8 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | N889 L895 I896 H927 | N889-S892 PolarHBondContact O-OG 3.41Å; S892-L895 PolarHBondContact O-N 3.41Å; S892-I896 WeakPolarHBondContact O-CG1 3.25Å; S892-I896 PolarHBondContact O-N 3.35Å; S892-I896 VanDerWaalsContact O-N 3.09Å; S892-H927 WeakPolarHBondContact CB-NE2 3.47Å |
| 893 | N | 78.7 | Confident | 74 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 179.7 | -73.9 | -26.9 | 0 | 0 | 0 | 112.1 | L895 I896 E897 | N893-L895 VanDerWaalsContact C-N 3.32Å; N893-L895 PolarHBondContact O-N 3.12Å; N893-I896 PolarHBondContact O-N 2.89Å; N893-I896 VanDerWaalsContact O-N 3.14Å; N893-E897 WeakPolarHBondContact O-CG 3.28Å; N893-E897 PolarHBondContact O-N 3.14Å |
| 894 | Q | 84.2 | Confident | 74.7 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 59% | 0.589 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.2 | -37.7 | -179.6 | -167.5 | 178.3 | 16.5 | 0 | 0 | 111.9 | I896 E897 V898 | Q894-I896 VanDerWaalsContact C-N 3.31Å; Q894-I896 PolarHBondContact O-N 3.46Å; Q894-E897 PolarHBondContact O-N 3.09Å; Q894-V898 WeakPolarHBondContact O-CG2 3.44Å; Q894-V898 PolarHBondContact O-N 3.44Å |
| 895 | L | 87.5 | Confident | 75.8 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 174.8 | 179.9 | 156.5 | 0 | 0 | 0 | 112 | Y877 H891 S892 N893 L899 | Y877-L895 HydrophobicContact CD2-CD2 3.54Å; Y877-L895 HydrophobicContact CE2-CD2 3.47Å; Y877-L895 VanDerWaalsContact CE2-CD2 3.47Å; H891-L895 VanDerWaalsContact O-CB 3.28Å; H891-L895 WeakPolarHBondContact O-CB 3.38Å; H891-L895 PolarHBondContact O-N 2.82Å; H891-L895 VanDerWaalsContact O-N 3.17Å; S892-L895 PolarHBondContact O-N 3.41Å; N893-L895 VanDerWaalsContact C-N 3.32Å; N893-L895 PolarHBondContact O-N 3.12Å; L895-L899 PolarHBondContact O-N 2.87Å; L895-L899 VanDerWaalsContact O-N 3.12Å |
| 896 | I | 89.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -77.5 | -33.1 | 176 | -70.2 | -63.8 | 0 | 0 | 0 | 112.7 | Y877 S892 N893 Q894 L899 F900 I923 H927 R930 Y931 L934 | Y877-I896 HydrophobicContact CD2-CD1 4.43Å; Y877-I896 HydrophobicContact CE2-CD1 3.52Å; S892-I896 WeakPolarHBondContact O-CG1 3.25Å; S892-I896 PolarHBondContact O-N 3.35Å; S892-I896 VanDerWaalsContact O-N 3.09Å; N893-I896 PolarHBondContact O-N 2.89Å; N893-I896 VanDerWaalsContact O-N 3.14Å; Q894-I896 VanDerWaalsContact C-N 3.31Å; Q894-I896 PolarHBondContact O-N 3.46Å; I896-L899 HydrophobicContact CD1-CD2 4.02Å; I896-L899 PolarHBondContact O-N 3.23Å; I896-F900 VanDerWaalsContact O-CB 3.25Å; I896-F900 WeakPolarHBondContact O-CB 3.44Å; I896-F900 PolarHBondContact O-N 3.23Å; I896-I923 HydrophobicContact CD1-CG2 4.29Å; I896-H927 HydrophobicContact CD1-CB 3.58Å; I896-H927 HydrophobicContact CG1-CB 3.79Å; I896-R930 HydrophobicContact CG2-CB 4.22Å; I896-R930 HydrophobicContact CG2-CG 4.02Å; I896-Y931 HydrophobicContact CG2-CD2 4.26Å; I896-L934 HydrophobicContact CG2-CD1 4.01Å |
| 897 | E | 89.1 | Confident | 78.6 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 172.2 | -74.3 | 166.9 | -167.7 | 0 | 0 | 111.9 | N893 Q894 T901 R930 L934 | N893-E897 WeakPolarHBondContact O-CG 3.28Å; N893-E897 PolarHBondContact O-N 3.14Å; Q894-E897 PolarHBondContact O-N 3.09Å; E897-T901 VanDerWaalsContact O-CB 3.3Å; E897-T901 WeakPolarHBondContact O-CB 3.45Å; E897-T901 PolarHBondContact O-N 2.98Å; E897-T901 PolarHBondContact O-OG1 3.39Å; E897-R930 IonicContact OE1-CZ 2.99Å; E897-R930 IonicContact OE1-NE 2.94Å; E897-R930 PolarHBondContact OE1-NE 3.46Å; E897-R930 IonicContact OE1-NH2 2.69Å; E897-R930 PolarHBondContact OE1-NH2 3.1Å; E897-L934 HydrophobicContact CB-CD1 4.49Å; E897-L934 HydrophobicContact CG-CD1 3.72Å; E897-L934 HydrophobicContact CG-CD2 4.14Å |
| 898 | V | 90.2 | Very high | 79.9 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 47% | 0.473 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | 170.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | Q894 F900 T901 Q902 | Q894-V898 WeakPolarHBondContact O-CG2 3.44Å; Q894-V898 PolarHBondContact O-N 3.44Å; V898-F900 VanDerWaalsContact C-N 3.33Å; V898-F900 PolarHBondContact O-N 3.37Å; V898-T901 PolarHBondContact O-N 3.31Å; V898-Q902 WeakPolarHBondContact O-CG 3.38Å; V898-Q902 PolarHBondContact O-N 3.45Å |
| 899 | L | 92.8 | Very high | 81.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55 | -48.6 | 175.8 | 170.9 | 62.9 | 0 | 0 | 0 | 111.5 | V873 M874 Y877 L895 I896 T901 Q902 L903 I923 Y931 | V873-L899 HydrophobicContact CG1-CD1 3.66Å; M874-L899 HydrophobicContact SD-CD1 4.02Å; Y877-L899 HydrophobicContact CD1-CD2 4.1Å; Y877-L899 HydrophobicContact CD2-CB 4.4Å; Y877-L899 HydrophobicContact CD2-CD2 3.73Å; Y877-L899 HydrophobicContact CD2-CG 4.48Å; Y877-L899 HydrophobicContact CE1-CD2 4.2Å; Y877-L899 HydrophobicContact CE2-CD2 3.85Å; Y877-L899 HydrophobicContact CG-CD1 4.29Å; Y877-L899 HydrophobicContact CG-CD2 3.87Å; L895-L899 PolarHBondContact O-N 2.87Å; L895-L899 VanDerWaalsContact O-N 3.12Å; I896-L899 HydrophobicContact CD1-CD2 4.02Å; I896-L899 PolarHBondContact O-N 3.23Å; L899-T901 PolarHBondContact O-N 3.49Å; L899-Q902 PolarHBondContact O-N 2.89Å; L899-L903 HydrophobicContact CD1-CD1 3.7Å; L899-L903 HydrophobicContact CD1-CG 3.86Å; L899-L903 HydrophobicContact CG-CD1 4.05Å; L899-L903 HydrophobicContact CG-CG 4.47Å; L899-L903 WeakPolarHBondContact O-CG 3.29Å; L899-L903 PolarHBondContact O-N 2.88Å; L899-I923 HydrophobicContact CD2-CD1 3.67Å; L899-I923 HydrophobicContact CD2-CG1 3.97Å; L899-Y931 HydrophobicContact CD2-CD2 4.5Å; L899-Y931 HydrophobicContact CD2-CE2 4.46Å; L899-Y931 HydrophobicContact CG-CE2 4.44Å |
| 900 | F | 93.1 | Very high | 82.4 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 178.8 | 178.1 | -101 | 0 | 0 | 0 | 111.9 | I896 V898 Q902 L903 S904 L916 Y931 L934 C935 L938 | I896-F900 VanDerWaalsContact O-CB 3.25Å; I896-F900 WeakPolarHBondContact O-CB 3.44Å; I896-F900 PolarHBondContact O-N 3.23Å; V898-F900 VanDerWaalsContact C-N 3.33Å; V898-F900 PolarHBondContact O-N 3.37Å; F900-Q902 VanDerWaalsContact C-N 3.31Å; F900-Q902 PolarHBondContact O-N 3.29Å; F900-L903 PolarHBondContact O-N 3.14Å; F900-S904 WeakPolarHBondContact O-CB 3.48Å; F900-S904 PolarHBondContact O-N 3.41Å; F900-S904 PolarHBondContact O-OG 3.32Å; F900-L916 HydrophobicContact CE2-CD1 4.49Å; F900-L916 HydrophobicContact CE2-CD2 3.86Å; F900-L916 HydrophobicContact CE2-CG 4.28Å; F900-L916 HydrophobicContact CZ-CD2 4.34Å; F900-Y931 HydrophobicContact CB-CD2 4.3Å; F900-Y931 HydrophobicContact CB-CE2 4.12Å; F900-Y931 HydrophobicContact CD2-CD2 4.32Å; F900-Y931 AromaticContact CD2-CE2 3.9Å; F900-Y931 HydrophobicContact CD2-CE2 3.9Å; F900-L934 HydrophobicContact CB-CB 4.43Å; F900-L934 HydrophobicContact CB-CD1 3.83Å; F900-L934 HydrophobicContact CD1-CB 3.84Å; F900-L934 HydrophobicContact CD1-CD1 4.24Å; F900-L934 HydrophobicContact CD1-CD2 4.5Å; F900-L934 HydrophobicContact CD1-CG 4.42Å; F900-L934 HydrophobicContact CD2-CB 3.75Å; F900-L934 HydrophobicContact CE1-CB 3.94Å; F900-L934 HydrophobicContact CE2-CB 3.86Å; F900-L934 HydrophobicContact CG-CB 3.73Å; F900-L934 HydrophobicContact CG-CD1 3.99Å; F900-L934 HydrophobicContact CG-CG 4.42Å; F900-L934 VanDerWaalsContact CZ-C 3.47Å; F900-L934 HydrophobicContact CZ-CB 3.94Å; F900-L934 WeakPolarHBondContact CZ-O 3.25Å; F900-C935 HydrophobicContact CE2-CB 4.43Å; F900-L938 HydrophobicContact CE1-CB 4.48Å; F900-L938 HydrophobicContact CE1-CD2 4.21Å; F900-L938 HydrophobicContact CE2-CD2 4.26Å; F900-L938 HydrophobicContact CZ-CB 3.76Å; F900-L938 HydrophobicContact CZ-CD2 3.5Å; F900-L938 HydrophobicContact CZ-CG 4.25Å |
| 901 | T | 91.3 | Very high | 83.2 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | E897 V898 L899 S904 R905 | E897-T901 VanDerWaalsContact O-CB 3.3Å; E897-T901 WeakPolarHBondContact O-CB 3.45Å; E897-T901 PolarHBondContact O-N 2.98Å; E897-T901 PolarHBondContact O-OG1 3.39Å; V898-T901 PolarHBondContact O-N 3.31Å; L899-T901 PolarHBondContact O-N 3.49Å; T901-S904 WeakPolarHBondContact CA-OG 3.35Å; T901-S904 PolarHBondContact O-OG 2.95Å; T901-R905 WeakPolarHBondContact O-CD 3.27Å; T901-R905 VanDerWaalsContact O-CG 3.28Å; T901-R905 WeakPolarHBondContact O-CG 3.4Å |
| 902 | Q | 92.8 | Very high | 83.6 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72 | -48.6 | 174.8 | -74.3 | 179.9 | -51.5 | 0 | 0 | 112.1 | V873 E876 V898 L899 F900 R905 | V873-Q902 HydrophobicContact CB-CB 4.3Å; V873-Q902 HydrophobicContact CG1-CB 3.58Å; V873-Q902 HydrophobicContact CG1-CG 4.48Å; V873-Q902 HydrophobicContact CG2-CB 3.68Å; V873-Q902 HydrophobicContact CG2-CG 4.22Å; E876-Q902 PolarHBondContact OE2-NE2 3.23Å; V898-Q902 WeakPolarHBondContact O-CG 3.38Å; V898-Q902 PolarHBondContact O-N 3.45Å; L899-Q902 PolarHBondContact O-N 2.89Å; F900-Q902 VanDerWaalsContact C-N 3.31Å; F900-Q902 PolarHBondContact O-N 3.29Å; Q902-R905 PolarHBondContact O-N 2.79Å |
| 903 | L | 90.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -37.3 | -179.6 | -68.2 | 179.7 | 0 | 0 | 0 | 112.8 | F870 V873 M874 L899 F900 R905 I906 F907 L916 A919 Y931 | F870-L903 HydrophobicContact CD2-CD2 3.71Å; F870-L903 HydrophobicContact CE2-CD2 3.84Å; V873-L903 HydrophobicContact CB-CD2 4.37Å; V873-L903 HydrophobicContact CG1-CD2 3.67Å; V873-L903 HydrophobicContact CG1-CG 3.92Å; M874-L903 HydrophobicContact SD-CD1 4.22Å; M874-L903 HydrophobicContact SD-CD2 4.28Å; L899-L903 HydrophobicContact CD1-CD1 3.7Å; L899-L903 HydrophobicContact CD1-CG 3.86Å; L899-L903 HydrophobicContact CG-CD1 4.05Å; L899-L903 HydrophobicContact CG-CG 4.47Å; L899-L903 WeakPolarHBondContact O-CG 3.29Å; L899-L903 PolarHBondContact O-N 2.88Å; F900-L903 PolarHBondContact O-N 3.14Å; L903-R905 VanDerWaalsContact C-N 3.3Å; L903-R905 PolarHBondContact O-N 3Å; L903-I906 HydrophobicContact CD2-CD1 4.48Å; L903-I906 WeakPolarHBondContact O-CA 3.4Å; L903-I906 WeakPolarHBondContact O-CB 3.39Å; L903-I906 PolarHBondContact O-N 2.93Å; L903-F907 HydrophobicContact CB-CD2 4.28Å; L903-F907 HydrophobicContact CB-CE2 4.38Å; L903-F907 HydrophobicContact CD2-CE2 4.24Å; L903-F907 VanDerWaalsContact O-CD2 3.25Å; L903-F907 WeakPolarHBondContact O-CD2 3.29Å; L903-F907 PolarHBondContact O-N 3.08Å; L903-L916 HydrophobicContact CB-CD1 3.59Å; L903-A919 HydrophobicContact CD1-CB 4.02Å; L903-Y931 HydrophobicContact CD1-CE2 4.22Å; L903-Y931 WeakPolarHBondContact CD1-OH 3.38Å |
| 904 | S | 87 | Confident | 83 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | F900 T901 I906 F907 I908 | F900-S904 WeakPolarHBondContact O-CB 3.48Å; F900-S904 PolarHBondContact O-N 3.41Å; F900-S904 PolarHBondContact O-OG 3.32Å; T901-S904 WeakPolarHBondContact CA-OG 3.35Å; T901-S904 PolarHBondContact O-OG 2.95Å; S904-I906 PolarHBondContact O-N 3.46Å; S904-F907 PolarHBondContact O-N 2.65Å; S904-I908 VanDerWaalsContact O-CB 3.31Å; S904-I908 WeakPolarHBondContact O-CB 3.5Å; S904-I908 VanDerWaalsContact O-CG1 3.23Å; S904-I908 WeakPolarHBondContact O-CG1 3.41Å; S904-I908 PolarHBondContact O-N 3.11Å |
| 905 | R | 87.2 | Confident | 82.6 | Confident | 187 Ų | 187 | 50.2 Ų | 50.2 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -25.3 | 170.2 | -72.6 | 170.7 | -177.9 | -170.4 | 1.1 | 113.6 | T901 Q902 L903 P909 | T901-R905 WeakPolarHBondContact O-CD 3.27Å; T901-R905 VanDerWaalsContact O-CG 3.28Å; T901-R905 WeakPolarHBondContact O-CG 3.4Å; Q902-R905 PolarHBondContact O-N 2.79Å; L903-R905 VanDerWaalsContact C-N 3.3Å; L903-R905 PolarHBondContact O-N 3Å; R905-P909 VanDerWaalsContact O-CD 3.32Å; R905-P909 WeakPolarHBondContact O-CD 3.45Å; R905-P909 WeakPolarHBondContact O-CG 3.17Å |
| 906 | I | 85.1 | Confident | 82.4 | Confident | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -82.8 | -44 | 175.6 | -60.4 | 172.5 | 0 | 0 | 0 | 110.4 | D869 F870 V873 L903 S904 L910 | D869-I906 HydrophobicContact CB-CD1 4.14Å; F870-I906 HydrophobicContact CB-CD1 4.18Å; V873-I906 HydrophobicContact CG2-CD1 4.31Å; L903-I906 HydrophobicContact CD2-CD1 4.48Å; L903-I906 WeakPolarHBondContact O-CA 3.4Å; L903-I906 WeakPolarHBondContact O-CB 3.39Å; L903-I906 PolarHBondContact O-N 2.93Å; S904-I906 PolarHBondContact O-N 3.46Å; I906-L910 WeakPolarHBondContact O-CD1 3.3Å |
| 907 | F | 81.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -95.3 | -28.7 | -168.5 | -66.2 | -57.8 | 0 | 0 | 0 | 116.3 | Y845 L849 F870 L903 S904 L910 V912 L915 L916 | Y845-F907 WeakPolarHBondContact OH-CZ 3.39Å; L849-F907 HydrophobicContact CD1-CE1 3.48Å; L849-F907 VanDerWaalsContact CD1-CE1 3.48Å; L849-F907 HydrophobicContact CD1-CZ 3.69Å; F870-F907 HydrophobicContact CD2-CE2 4.13Å; F870-F907 AromaticContact CD2-CZ 3.87Å; F870-F907 HydrophobicContact CD2-CZ 3.87Å; F870-F907 HydrophobicContact CE2-CE2 4.18Å; F870-F907 HydrophobicContact CE2-CZ 4.02Å; L903-F907 HydrophobicContact CB-CD2 4.28Å; L903-F907 HydrophobicContact CB-CE2 4.38Å; L903-F907 HydrophobicContact CD2-CE2 4.24Å; L903-F907 VanDerWaalsContact O-CD2 3.25Å; L903-F907 WeakPolarHBondContact O-CD2 3.29Å; L903-F907 PolarHBondContact O-N 3.08Å; S904-F907 PolarHBondContact O-N 2.65Å; F907-L910 PolarHBondContact O-N 3.45Å; F907-V912 HydrophobicContact CD1-CG2 4.17Å; F907-L915 HydrophobicContact CD1-CB 3.9Å; F907-L915 HydrophobicContact CE1-CB 3.84Å; F907-L915 HydrophobicContact CE1-CD1 4.32Å; F907-L915 HydrophobicContact CG-CB 4.48Å; F907-L915 HydrophobicContact CZ-CB 4.36Å; F907-L916 HydrophobicContact CB-CB 4Å; F907-L916 HydrophobicContact CD2-CB 4.04Å; F907-L916 HydrophobicContact CD2-CD1 3.92Å; F907-L916 HydrophobicContact CG-CB 4.3Å |
| 908 | I | 75.7 | Confident | 81.5 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 48% | 0.482 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -60.3 | -47.2 | 174.6 | -62.9 | 167.5 | 0 | 0 | 0 | 110.8 | S904 L910 E911 L938 | S904-I908 VanDerWaalsContact O-CB 3.31Å; S904-I908 WeakPolarHBondContact O-CB 3.5Å; S904-I908 VanDerWaalsContact O-CG1 3.23Å; S904-I908 WeakPolarHBondContact O-CG1 3.41Å; S904-I908 PolarHBondContact O-N 3.11Å; I908-L910 PolarHBondContact O-N 3.16Å; I908-E911 PolarHBondContact O-N 3.01Å; I908-E911 VanDerWaalsContact O-N 3.08Å; I908-L938 HydrophobicContact CD1-CD1 4.18Å; I908-L938 HydrophobicContact CD1-CD2 3.9Å; I908-L938 HydrophobicContact CG1-CD2 4.21Å |
| 909 | P | 76.4 | Confident | 81.1 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -73.7 | 14.5 | -179.8 | -15.8 | 33.2 | 0 | 0 | 0 | 114.9 | R905 | R905-P909 VanDerWaalsContact O-CD 3.32Å; R905-P909 WeakPolarHBondContact O-CD 3.45Å; R905-P909 WeakPolarHBondContact O-CG 3.17Å |
| 910 | L | 70.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -123 | 2.6 | 174.2 | -73.2 | 169.3 | 0 | 0 | 0 | 112 | L853 I906 F907 I908 V912 | L853-L910 HydrophobicContact CD2-CD1 3.58Å; I906-L910 WeakPolarHBondContact O-CD1 3.3Å; F907-L910 PolarHBondContact O-N 3.45Å; I908-L910 PolarHBondContact O-N 3.16Å; L910-V912 HydrophobicContact CB-CG2 3.62Å; L910-V912 PolarHBondContact O-N 3.42Å; L910-V912 VanDerWaalsContact O-N 3.11Å |
| 911 | E | 72.6 | Confident | 80.1 | Confident | 181 Ų | 181 | 49.5 Ų | 49.5 | 85% | 0.846 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.3 | -179.4 | -56.5 | -170.2 | 158.3 | 0 | 0 | 114.8 | I908 P913 | I908-E911 PolarHBondContact O-N 3.01Å; I908-E911 VanDerWaalsContact O-N 3.08Å; E911-P913 WeakPolarHBondContact O-CD 3.3Å |
| 912 | V | 70.4 | Confident | 79.6 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | trans | -116.5 | 66.4 | -177.9 | -72.8 | 0 | 0 | 0 | 0 | 112.9 | V852 F907 L910 G914 L915 | V852-V912 HydrophobicContact CG1-CB 4.42Å; V852-V912 HydrophobicContact CG1-CG1 3.86Å; V852-V912 HydrophobicContact CG1-CG2 3.97Å; F907-V912 HydrophobicContact CD1-CG2 4.17Å; L910-V912 HydrophobicContact CB-CG2 3.62Å; L910-V912 PolarHBondContact O-N 3.42Å; L910-V912 VanDerWaalsContact O-N 3.11Å; V912-G914 PolarHBondContact O-N 3.02Å; V912-G914 VanDerWaalsContact O-N 3.12Å; V912-L915 HydrophobicContact CB-CD1 4.45Å; V912-L915 HydrophobicContact CG2-CB 4.35Å; V912-L915 HydrophobicContact CG2-CD1 4.17Å; V912-L915 PolarHBondContact O-N 3.39Å; V912-L915 VanDerWaalsContact O-N 3.1Å | ||
| 913 | P | 67.5 | Low | 79.2 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.4 | -24.3 | 178.1 | 24.8 | -33.6 | 0 | 0 | 0 | 113.4 | E911 L916 Q917 T939 L941 | E911-P913 WeakPolarHBondContact O-CD 3.3Å; P913-L916 WeakPolarHBondContact O-CB 3.29Å; P913-L916 PolarHBondContact O-N 3.14Å; P913-Q917 PolarHBondContact O-N 3.1Å; P913-Q917 VanDerWaalsContact O-N 3.1Å; P913-T939 HydrophobicContact CB-CG2 3.52Å; P913-L941 HydrophobicContact CB-CD1 4.34Å |
| 914 | G | 67 | Low | 78.8 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V912 L916 Q917 D918 | V912-G914 PolarHBondContact O-N 3.02Å; V912-G914 VanDerWaalsContact O-N 3.12Å; G914-L916 VanDerWaalsContact C-N 3.26Å; G914-L916 PolarHBondContact O-N 3.03Å; G914-Q917 CarbonylContact O-C 3.15Å; G914-Q917 PolarHBondContact O-N 3.3Å; G914-D918 PolarHBondContact O-N 2.75Å |
| 915 | L | 77 | Confident | 78.4 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -24.4 | 177.9 | -85.4 | 173.2 | 0 | 0 | 0 | 113.3 | Y845 L848 L849 V852 F907 V912 A919 | Y845-L915 HydrophobicContact CD2-CD2 3.98Å; Y845-L915 HydrophobicContact CE2-CD2 3.51Å; Y845-L915 WeakPolarHBondContact CE2-O 3.26Å; Y845-L915 PolarHBondContact OH-O 3.33Å; L848-L915 HydrophobicContact CB-CD2 4.41Å; L848-L915 HydrophobicContact CD2-CD2 4Å; L848-L915 HydrophobicContact CG-CD2 4.28Å; L849-L915 HydrophobicContact CD1-CD1 4.48Å; V852-L915 HydrophobicContact CB-CD1 3.73Å; V852-L915 HydrophobicContact CG1-CD1 3.82Å; V852-L915 HydrophobicContact CG2-CD1 3.8Å; F907-L915 HydrophobicContact CD1-CB 3.9Å; F907-L915 HydrophobicContact CE1-CB 3.84Å; F907-L915 HydrophobicContact CE1-CD1 4.32Å; F907-L915 HydrophobicContact CG-CB 4.48Å; F907-L915 HydrophobicContact CZ-CB 4.36Å; V912-L915 HydrophobicContact CB-CD1 4.45Å; V912-L915 HydrophobicContact CG2-CB 4.35Å; V912-L915 HydrophobicContact CG2-CD1 4.17Å; V912-L915 PolarHBondContact O-N 3.39Å; V912-L915 VanDerWaalsContact O-N 3.1Å; L915-A919 PolarHBondContact O-N 3.24Å |
| 916 | L | 82.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70 | -41.5 | 169.6 | -178.1 | 65.9 | 0 | 0 | 0 | 110.8 | F900 L903 F907 P913 G914 A919 Y931 L938 | F900-L916 HydrophobicContact CE2-CD1 4.49Å; F900-L916 HydrophobicContact CE2-CD2 3.86Å; F900-L916 HydrophobicContact CE2-CG 4.28Å; F900-L916 HydrophobicContact CZ-CD2 4.34Å; L903-L916 HydrophobicContact CB-CD1 3.59Å; F907-L916 HydrophobicContact CB-CB 4Å; F907-L916 HydrophobicContact CD2-CB 4.04Å; F907-L916 HydrophobicContact CD2-CD1 3.92Å; F907-L916 HydrophobicContact CG-CB 4.3Å; P913-L916 WeakPolarHBondContact O-CB 3.29Å; P913-L916 PolarHBondContact O-N 3.14Å; G914-L916 VanDerWaalsContact C-N 3.26Å; G914-L916 PolarHBondContact O-N 3.03Å; L916-A919 WeakPolarHBondContact O-CB 3.43Å; L916-Y931 WeakPolarHBondContact CD1-OH 3.47Å; L916-Y931 VanDerWaalsContact O-CE1 3.29Å; L916-Y931 WeakPolarHBondContact O-CE1 3.16Å; L916-Y931 PolarHBondContact O-OH 3.47Å; L916-L938 HydrophobicContact CD2-CD2 3.59Å |
| 917 | Q | 79.3 | Confident | 78.1 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.4 | -47.6 | 177 | -172 | 166.7 | 8.3 | 0 | 0 | 111.9 | P913 G914 A919 I920 L941 P942 | P913-Q917 PolarHBondContact O-N 3.1Å; P913-Q917 VanDerWaalsContact O-N 3.1Å; G914-Q917 CarbonylContact O-C 3.15Å; G914-Q917 PolarHBondContact O-N 3.3Å; Q917-A919 PolarHBondContact O-N 2.81Å; Q917-A919 VanDerWaalsContact O-N 3.14Å; Q917-I920 VanDerWaalsContact O-CB 3.24Å; Q917-I920 WeakPolarHBondContact O-CB 3.28Å; Q917-I920 WeakPolarHBondContact O-CG2 3.43Å; Q917-I920 PolarHBondContact O-N 3.11Å; Q917-I920 VanDerWaalsContact O-N 3.09Å; Q917-L941 VanDerWaalsContact OE1-CB 3.24Å; Q917-P942 PolarHBondContact NE2-O 2.87Å |
| 918 | D | 79.8 | Confident | 78.4 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -19.7 | -178 | -68.4 | -28.2 | 0 | 0 | 0 | 113.5 | Y845 G914 I920 C921 | Y845-D918 HydrophobicContact CD2-CB 3.64Å; Y845-D918 HydrophobicContact CE2-CB 3.65Å; G914-D918 PolarHBondContact O-N 2.75Å; D918-I920 PolarHBondContact O-N 2.85Å; D918-C921 PolarHBondContact O-N 3.11Å; D918-C921 VanDerWaalsContact O-N 3.12Å; D918-C921 PolarHBondContact O-SG 2.94Å |
| 919 | A | 82.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.5 | -17.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y845 L903 L915 L916 Q917 C921 F922 | Y845-A919 HydrophobicContact CE2-CB 4.31Å; L903-A919 HydrophobicContact CD1-CB 4.02Å; L915-A919 PolarHBondContact O-N 3.24Å; L916-A919 WeakPolarHBondContact O-CB 3.43Å; Q917-A919 PolarHBondContact O-N 2.81Å; Q917-A919 VanDerWaalsContact O-N 3.14Å; A919-C921 PolarHBondContact O-N 2.94Å; A919-F922 PolarHBondContact O-N 3.1Å |
| 920 | I | 85.1 | Confident | 79.4 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 21% | 0.205 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -52.4 | -23.5 | 171.5 | -159.8 | 167.7 | 0 | 0 | 0 | 113.7 | Q917 D918 F922 I923 R928 Y931 A932 | Q917-I920 VanDerWaalsContact O-CB 3.24Å; Q917-I920 WeakPolarHBondContact O-CB 3.28Å; Q917-I920 WeakPolarHBondContact O-CG2 3.43Å; Q917-I920 PolarHBondContact O-N 3.11Å; Q917-I920 VanDerWaalsContact O-N 3.09Å; D918-I920 PolarHBondContact O-N 2.85Å; I920-F922 PolarHBondContact O-N 3.36Å; I920-I923 PolarHBondContact O-N 3.2Å; I920-I923 VanDerWaalsContact O-N 3.12Å; I920-R928 HydrophobicContact CD1-CB 3.99Å; I920-R928 HydrophobicContact CD1-CG 4.34Å; I920-R928 HydrophobicContact CG1-CB 3.95Å; I920-R928 HydrophobicContact CG1-CG 3.75Å; I920-R928 PolarHBondContact O-NE 3.19Å; I920-Y931 HydrophobicContact CB-CD1 4.1Å; I920-Y931 HydrophobicContact CB-CE1 4.35Å; I920-Y931 HydrophobicContact CD1-CD1 4.49Å; I920-Y931 HydrophobicContact CG1-CD1 4.21Å; I920-A932 HydrophobicContact CD1-CB 3.95Å |
| 921 | C | 78.9 | Confident | 80.4 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 22% | 0.216 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -64.2 | -24.3 | 175.9 | 66 | 0 | 0 | 0 | 0 | 113.9 | L841 D918 A919 | L841-C921 HydrophobicContact CD2-CB 3.86Å; L841-C921 HydrophobicContact CG-CB 4.31Å; D918-C921 PolarHBondContact O-N 3.11Å; D918-C921 VanDerWaalsContact O-N 3.12Å; D918-C921 PolarHBondContact O-SG 2.94Å; A919-C921 PolarHBondContact O-N 2.94Å |
| 922 | F | 80.8 | Confident | 81 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -91.6 | -4.5 | 174.6 | -56.6 | -86.6 | 0 | 0 | 0 | 114.1 | S842 Y845 M846 F870 M874 A919 I920 | S842-F922 VanDerWaalsContact OG-CE1 3.32Å; S842-F922 WeakPolarHBondContact OG-CE1 3.21Å; Y845-F922 HydrophobicContact CD1-CD2 4.49Å; Y845-F922 AromaticContact CD1-CE2 3.32Å; Y845-F922 HydrophobicContact CD1-CE2 3.32Å; Y845-F922 AromaticContact CD1-CZ 3.75Å; Y845-F922 HydrophobicContact CD1-CZ 3.75Å; Y845-F922 HydrophobicContact CD2-CE2 4.44Å; Y845-F922 AromaticContact CE1-CE2 3.73Å; Y845-F922 HydrophobicContact CE1-CE2 3.73Å; Y845-F922 HydrophobicContact CE1-CZ 4.44Å; Y845-F922 AromaticContact CG-CE2 3.7Å; Y845-F922 HydrophobicContact CG-CE2 3.7Å; Y845-F922 HydrophobicContact CG-CZ 4.24Å; M846-F922 HydrophobicContact CG-CZ 4.05Å; M846-F922 HydrophobicContact SD-CZ 4.09Å; F870-F922 HydrophobicContact CZ-CE2 4.4Å; M874-F922 HydrophobicContact CE-CB 3.4Å; M874-F922 VanDerWaalsContact CE-CB 3.4Å; M874-F922 HydrophobicContact CE-CG 4.12Å; A919-F922 PolarHBondContact O-N 3.1Å; I920-F922 PolarHBondContact O-N 3.36Å |
| 923 | I | 85.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -93.1 | 138 | -174.5 | -65.3 | -179.4 | 0 | 0 | 0 | 109.3 | Y877 I896 L899 I920 H927 R928 Y931 | Y877-I923 HydrophobicContact CE1-CG1 4.33Å; I896-I923 HydrophobicContact CD1-CG2 4.29Å; L899-I923 HydrophobicContact CD2-CD1 3.67Å; L899-I923 HydrophobicContact CD2-CG1 3.97Å; I920-I923 PolarHBondContact O-N 3.2Å; I920-I923 VanDerWaalsContact O-N 3.12Å; I923-H927 HydrophobicContact CG2-CB 3.53Å; I923-R928 HydrophobicContact CB-CG 4.36Å; I923-R928 HydrophobicContact CG2-CG 4.09Å; I923-R928 PolarHBondContact O-NE 3.29Å; I923-R928 PolarHBondContact O-NH2 3.44Å; I923-Y931 HydrophobicContact CD1-CD1 3.49Å; I923-Y931 VanDerWaalsContact CD1-CD1 3.49Å; I923-Y931 HydrophobicContact CD1-CD2 3.3Å; I923-Y931 HydrophobicContact CD1-CE1 3.78Å; I923-Y931 HydrophobicContact CD1-CE2 3.6Å; I923-Y931 HydrophobicContact CD1-CG 3.23Å |
| 924 | L | 81.9 | Confident | 83 | Confident | 62 Ų | 62 | 46.4 Ų | 46.4 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | trans | -62.5 | 143.7 | -179.4 | -67 | 175.5 | 0 | 0 | 0 | 110.8 | Y877 I881 E926 H927 R928 | Y877-L924 PolarHBondContact OH-N 3.02Å; I881-L924 HydrophobicContact CD1-CD1 3.6Å; I881-L924 HydrophobicContact CD1-CG 4.15Å; I881-L924 HydrophobicContact CG1-CD1 4.05Å; I881-L924 HydrophobicContact CG2-CD1 3.84Å; L924-E926 VanDerWaalsContact C-N 3.29Å; L924-E926 HydrophobicContact CB-CG 4.07Å; L924-E926 WeakPolarHBondContact CD1-OE1 3.31Å; L924-E926 PolarHBondContact O-N 2.7Å; L924-E926 VanDerWaalsContact O-N 3.16Å; L924-H927 WeakPolarHBondContact O-CA 3.4Å; L924-H927 WeakPolarHBondContact O-CB 3.32Å; L924-H927 PolarHBondContact O-N 2.92Å; L924-R928 WeakPolarHBondContact O-CG 3.31Å; L924-R928 PolarHBondContact O-N 2.9Å | ||
| 925 | P | 77.7 | Confident | 83.8 | Confident | 98 Ų | 98 | 44.9 Ų | 44.9 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -49.7 | -45.9 | -173.4 | -29.7 | 36.1 | 0 | 0 | 0 | 114.3 | H927 R928 | P925-H927 PolarHBondContact O-N 2.71Å; P925-R928 WeakPolarHBondContact O-CB 3.41Å; P925-R928 PolarHBondContact O-N 3.23Å; P925-R928 VanDerWaalsContact O-N 3.14Å |
| 926 | E | 80.5 | Confident | 84.1 | Confident | 143 Ų | 143 | 47.9 Ų | 47.9 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -53.6 | -32.1 | 175.1 | 68.1 | -156.9 | 167.5 | 0 | 0 | 114.4 | L924 | L924-E926 VanDerWaalsContact C-N 3.29Å; L924-E926 HydrophobicContact CB-CG 4.07Å; L924-E926 WeakPolarHBondContact CD1-OE1 3.31Å; L924-E926 PolarHBondContact O-N 2.7Å; L924-E926 VanDerWaalsContact O-N 3.16Å |
| 927 | H | 86 | Confident | 84.1 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -93.7 | -17.2 | -177.7 | -70.4 | 132.6 | 0 | 0 | 0 | 113.5 | Y877 S892 I896 I923 L924 P925 K929 R930 Y931 | Y877-H927 PolarHBondContact OH-ND1 3.44Å; S892-H927 WeakPolarHBondContact CB-NE2 3.47Å; I896-H927 HydrophobicContact CD1-CB 3.58Å; I896-H927 HydrophobicContact CG1-CB 3.79Å; I923-H927 HydrophobicContact CG2-CB 3.53Å; L924-H927 WeakPolarHBondContact O-CA 3.4Å; L924-H927 WeakPolarHBondContact O-CB 3.32Å; L924-H927 PolarHBondContact O-N 2.92Å; P925-H927 PolarHBondContact O-N 2.71Å; H927-K929 VanDerWaalsContact C-N 3.32Å; H927-K929 PolarHBondContact O-N 2.85Å; H927-R930 PolarHBondContact O-N 3.26Å; H927-Y931 PolarHBondContact O-N 3.19Å; H927-Y931 VanDerWaalsContact O-N 3.14Å |
| 928 | R | 88.2 | Confident | 84.2 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | -172.8 | -71.9 | -175.4 | -176.9 | 170.7 | -1.5 | 112.9 | I920 I923 L924 P925 Y931 A932 | I920-R928 HydrophobicContact CD1-CB 3.99Å; I920-R928 HydrophobicContact CD1-CG 4.34Å; I920-R928 HydrophobicContact CG1-CB 3.95Å; I920-R928 HydrophobicContact CG1-CG 3.75Å; I920-R928 PolarHBondContact O-NE 3.19Å; I923-R928 HydrophobicContact CB-CG 4.36Å; I923-R928 HydrophobicContact CG2-CG 4.09Å; I923-R928 PolarHBondContact O-NE 3.29Å; I923-R928 PolarHBondContact O-NH2 3.44Å; L924-R928 WeakPolarHBondContact O-CG 3.31Å; L924-R928 PolarHBondContact O-N 2.9Å; P925-R928 WeakPolarHBondContact O-CB 3.41Å; P925-R928 PolarHBondContact O-N 3.23Å; P925-R928 VanDerWaalsContact O-N 3.14Å; R928-Y931 PolarHBondContact O-N 2.95Å; R928-A932 WeakPolarHBondContact O-CB 3.23Å; R928-A932 PolarHBondContact O-N 3.32Å |
| 929 | K | 84.7 | Confident | 83.8 | Confident | 149 Ų | 149 | 54 Ų | 54 | 65% | 0.648 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.1 | -52.2 | 179.3 | -175 | -178.1 | 174 | -175.2 | 0 | 111.5 | H927 Y931 A932 E933 | H927-K929 VanDerWaalsContact C-N 3.32Å; H927-K929 PolarHBondContact O-N 2.85Å; K929-Y931 VanDerWaalsContact C-N 3.32Å; K929-Y931 PolarHBondContact O-N 3.39Å; K929-A932 PolarHBondContact O-N 3Å; K929-E933 VanDerWaalsContact CE-OE1 3.25Å; K929-E933 WeakPolarHBondContact CE-OE1 3.42Å; K929-E933 WeakPolarHBondContact O-CG 3.25Å; K929-E933 PolarHBondContact O-N 2.68Å |
| 930 | R | 89.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | -179.8 | -175.4 | 57 | 178.1 | 168.8 | -0.3 | 112 | I896 E897 H927 E933 L934 | I896-R930 HydrophobicContact CG2-CB 4.22Å; I896-R930 HydrophobicContact CG2-CG 4.02Å; E897-R930 IonicContact OE1-CZ 2.99Å; E897-R930 IonicContact OE1-NE 2.94Å; E897-R930 PolarHBondContact OE1-NE 3.46Å; E897-R930 IonicContact OE1-NH2 2.69Å; E897-R930 PolarHBondContact OE1-NH2 3.1Å; H927-R930 PolarHBondContact O-N 3.26Å; R930-E933 VanDerWaalsContact CD-OE2 3.29Å; R930-E933 WeakPolarHBondContact CD-OE2 3.5Å; R930-E933 IonicContact CZ-OE2 3.21Å; R930-E933 IonicContact NH1-OE2 2.64Å; R930-E933 PolarHBondContact NH1-OE2 3.22Å; R930-E933 PolarHBondContact O-N 2.88Å; R930-L934 HydrophobicContact CG-CD1 4.41Å; R930-L934 VanDerWaalsContact O-CG 3.31Å; R930-L934 WeakPolarHBondContact O-CG 3.41Å; R930-L934 PolarHBondContact O-N 3.36Å; R930-L934 VanDerWaalsContact O-N 3.1Å |
| 931 | Y | 91.5 | Very high | 82 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.5 | -171.5 | -96.9 | 0 | 0 | 0 | 112.2 | I896 L899 F900 L903 L916 I920 I923 H927 R928 K929 E933 L934 C935 | I896-Y931 HydrophobicContact CG2-CD2 4.26Å; L899-Y931 HydrophobicContact CD2-CD2 4.5Å; L899-Y931 HydrophobicContact CD2-CE2 4.46Å; L899-Y931 HydrophobicContact CG-CE2 4.44Å; F900-Y931 HydrophobicContact CB-CD2 4.3Å; F900-Y931 HydrophobicContact CB-CE2 4.12Å; F900-Y931 HydrophobicContact CD2-CD2 4.32Å; F900-Y931 AromaticContact CD2-CE2 3.9Å; F900-Y931 HydrophobicContact CD2-CE2 3.9Å; L903-Y931 HydrophobicContact CD1-CE2 4.22Å; L903-Y931 WeakPolarHBondContact CD1-OH 3.38Å; L916-Y931 WeakPolarHBondContact CD1-OH 3.47Å; L916-Y931 VanDerWaalsContact O-CE1 3.29Å; L916-Y931 WeakPolarHBondContact O-CE1 3.16Å; L916-Y931 PolarHBondContact O-OH 3.47Å; I920-Y931 HydrophobicContact CB-CD1 4.1Å; I920-Y931 HydrophobicContact CB-CE1 4.35Å; I920-Y931 HydrophobicContact CD1-CD1 4.49Å; I920-Y931 HydrophobicContact CG1-CD1 4.21Å; I923-Y931 HydrophobicContact CD1-CD1 3.49Å; I923-Y931 VanDerWaalsContact CD1-CD1 3.49Å; I923-Y931 HydrophobicContact CD1-CD2 3.3Å; I923-Y931 HydrophobicContact CD1-CE1 3.78Å; I923-Y931 HydrophobicContact CD1-CE2 3.6Å; I923-Y931 HydrophobicContact CD1-CG 3.23Å; H927-Y931 PolarHBondContact O-N 3.19Å; H927-Y931 VanDerWaalsContact O-N 3.14Å; R928-Y931 PolarHBondContact O-N 2.95Å; K929-Y931 VanDerWaalsContact C-N 3.32Å; K929-Y931 PolarHBondContact O-N 3.39Å; Y931-E933 PolarHBondContact O-N 3.43Å; Y931-L934 PolarHBondContact O-N 2.99Å; Y931-C935 WeakPolarHBondContact CE1-SG 3.32Å; Y931-C935 PolarHBondContact O-N 2.91Å; Y931-C935 PolarHBondContact O-SG 3.5Å |
| 932 | A | 85.5 | Confident | 80.8 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I920 R928 K929 C935 H936 I943 | I920-A932 HydrophobicContact CD1-CB 3.95Å; R928-A932 WeakPolarHBondContact O-CB 3.23Å; R928-A932 PolarHBondContact O-N 3.32Å; K929-A932 PolarHBondContact O-N 3Å; A932-C935 PolarHBondContact O-N 2.91Å; A932-H936 WeakPolarHBondContact O-CB 3.36Å; A932-H936 PolarHBondContact O-N 3.28Å; A932-I943 HydrophobicContact CB-CG2 3.99Å |
| 933 | E | 87.6 | Confident | 79.5 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 170.1 | -71.9 | 167.1 | -167.4 | 0 | 0 | 111.6 | K929 R930 Y931 H936 N937 I943 | K929-E933 VanDerWaalsContact CE-OE1 3.25Å; K929-E933 WeakPolarHBondContact CE-OE1 3.42Å; K929-E933 WeakPolarHBondContact O-CG 3.25Å; K929-E933 PolarHBondContact O-N 2.68Å; R930-E933 VanDerWaalsContact CD-OE2 3.29Å; R930-E933 WeakPolarHBondContact CD-OE2 3.5Å; R930-E933 IonicContact CZ-OE2 3.21Å; R930-E933 IonicContact NH1-OE2 2.64Å; R930-E933 PolarHBondContact NH1-OE2 3.22Å; R930-E933 PolarHBondContact O-N 2.88Å; Y931-E933 PolarHBondContact O-N 3.43Å; E933-H936 PolarHBondContact O-N 3.41Å; E933-N937 WeakPolarHBondContact O-CB 3.39Å; E933-N937 PolarHBondContact O-N 3.4Å; E933-N937 PolarHBondContact O-ND2 2.88Å; E933-I943 HydrophobicContact CG-CD1 4.21Å |
| 934 | L | 90.6 | Very high | 77.8 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.1 | -67.7 | 168.9 | 0 | 0 | 0 | 112.1 | I896 E897 F900 R930 Y931 N937 L938 | I896-L934 HydrophobicContact CG2-CD1 4.01Å; E897-L934 HydrophobicContact CB-CD1 4.49Å; E897-L934 HydrophobicContact CG-CD1 3.72Å; E897-L934 HydrophobicContact CG-CD2 4.14Å; F900-L934 HydrophobicContact CB-CB 4.43Å; F900-L934 HydrophobicContact CB-CD1 3.83Å; F900-L934 HydrophobicContact CD1-CB 3.84Å; F900-L934 HydrophobicContact CD1-CD1 4.24Å; F900-L934 HydrophobicContact CD1-CD2 4.5Å; F900-L934 HydrophobicContact CD1-CG 4.42Å; F900-L934 HydrophobicContact CD2-CB 3.75Å; F900-L934 HydrophobicContact CE1-CB 3.94Å; F900-L934 HydrophobicContact CE2-CB 3.86Å; F900-L934 HydrophobicContact CG-CB 3.73Å; F900-L934 HydrophobicContact CG-CD1 3.99Å; F900-L934 HydrophobicContact CG-CG 4.42Å; F900-L934 VanDerWaalsContact CZ-C 3.47Å; F900-L934 HydrophobicContact CZ-CB 3.94Å; F900-L934 WeakPolarHBondContact CZ-O 3.25Å; R930-L934 HydrophobicContact CG-CD1 4.41Å; R930-L934 VanDerWaalsContact O-CG 3.31Å; R930-L934 WeakPolarHBondContact O-CG 3.41Å; R930-L934 PolarHBondContact O-N 3.36Å; R930-L934 VanDerWaalsContact O-N 3.1Å; Y931-L934 PolarHBondContact O-N 2.99Å; L934-N937 PolarHBondContact O-N 3.12Å; L934-L938 PolarHBondContact O-N 3.42Å |
| 935 | C | 84.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.3 | -50.6 | 172.2 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | F900 Y931 A932 N937 L938 T939 | F900-C935 HydrophobicContact CE2-CB 4.43Å; Y931-C935 WeakPolarHBondContact CE1-SG 3.32Å; Y931-C935 PolarHBondContact O-N 2.91Å; Y931-C935 PolarHBondContact O-SG 3.5Å; A932-C935 PolarHBondContact O-N 2.91Å; C935-N937 PolarHBondContact O-N 3.14Å; C935-L938 PolarHBondContact O-N 2.91Å; C935-T939 WeakPolarHBondContact O-CG2 3.4Å; C935-T939 PolarHBondContact O-N 3.18Å; C935-T939 PolarHBondContact O-OG1 3.49Å |
| 936 | H | 83.5 | Confident | 73.6 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 179.2 | 179.2 | 60.9 | 0 | 0 | 0 | 112.4 | A932 E933 L938 T939 G940 L941 I943 | A932-H936 WeakPolarHBondContact O-CB 3.36Å; A932-H936 PolarHBondContact O-N 3.28Å; E933-H936 PolarHBondContact O-N 3.41Å; H936-L938 PolarHBondContact O-N 3.23Å; H936-T939 PolarHBondContact O-N 3.21Å; H936-G940 WeakPolarHBondContact O-CA 3.46Å; H936-G940 PolarHBondContact O-N 3.06Å; H936-L941 PolarHBondContact ND1-O 3.11Å; H936-I943 HydrophobicContact CB-CD1 4.14Å; H936-I943 HydrophobicContact CB-CG1 3.52Å |
| 937 | N | 84 | Confident | 71.2 | Confident | 120 Ų | 120 | 72.2 Ų | 72.2 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.1 | -23.7 | 179.9 | -69.1 | -20.4 | 0 | 0 | 0 | 113.7 | E933 L934 C935 | E933-N937 WeakPolarHBondContact O-CB 3.39Å; E933-N937 PolarHBondContact O-N 3.4Å; E933-N937 PolarHBondContact O-ND2 2.88Å; L934-N937 PolarHBondContact O-N 3.12Å; C935-N937 PolarHBondContact O-N 3.14Å |
| 938 | L | 80.3 | Confident | 68.4 | Low | 80 Ų | 80 | 74.7 Ų | 74.7 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -93.1 | -37.9 | 177.6 | 176.2 | 69.6 | 0 | 0 | 0 | 113.1 | F900 I908 L916 L934 C935 H936 | F900-L938 HydrophobicContact CE1-CB 4.48Å; F900-L938 HydrophobicContact CE1-CD2 4.21Å; F900-L938 HydrophobicContact CE2-CD2 4.26Å; F900-L938 HydrophobicContact CZ-CB 3.76Å; F900-L938 HydrophobicContact CZ-CD2 3.5Å; F900-L938 HydrophobicContact CZ-CG 4.25Å; I908-L938 HydrophobicContact CD1-CD1 4.18Å; I908-L938 HydrophobicContact CD1-CD2 3.9Å; I908-L938 HydrophobicContact CG1-CD2 4.21Å; L916-L938 HydrophobicContact CD2-CD2 3.59Å; L934-L938 PolarHBondContact O-N 3.42Å; C935-L938 PolarHBondContact O-N 2.91Å; H936-L938 PolarHBondContact O-N 3.23Å |
| 939 | T | 71.6 | Confident | 65.8 | Low | 37 Ų | 37 | 77.4 Ų | 77.4 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -110.7 | -13 | -167.1 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | P913 C935 H936 L941 | P913-T939 HydrophobicContact CB-CG2 3.52Å; C935-T939 WeakPolarHBondContact O-CG2 3.4Å; C935-T939 PolarHBondContact O-N 3.18Å; C935-T939 PolarHBondContact O-OG1 3.49Å; H936-T939 PolarHBondContact O-N 3.21Å; T939-L941 PolarHBondContact O-N 3.43Å; T939-L941 VanDerWaalsContact O-N 3.14Å; T939-L941 WeakPolarHBondContact OG1-CB 3.44Å; T939-L941 WeakPolarHBondContact OG1-CG 3.14Å; T939-L941 PolarHBondContact OG1-N 3.43Å |
| 940 | G | 72.3 | Confident | 63 | Low | 55 Ų | 55 | 77.2 Ų | 77.2 | 57% | 0.567 | 43% | 0.433 | S | S | * | . | trans | 71.4 | -10.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | H936 | H936-G940 WeakPolarHBondContact O-CA 3.46Å; H936-G940 PolarHBondContact O-N 3.06Å | ||
| 941 | L | 57.2 | Low | 60 | Low | 64 Ų | 64 | 82.9 Ų | 82.9 | 34% | 0.335 | 46% | 0.46 | S | S | . | . | trans | -66.6 | 137.6 | -177.8 | -61.1 | 173.9 | 0 | 0 | 0 | 110.5 | P913 Q917 H936 T939 | P913-L941 HydrophobicContact CB-CD1 4.34Å; Q917-L941 VanDerWaalsContact OE1-CB 3.24Å; H936-L941 PolarHBondContact ND1-O 3.11Å; T939-L941 PolarHBondContact O-N 3.43Å; T939-L941 VanDerWaalsContact O-N 3.14Å; T939-L941 WeakPolarHBondContact OG1-CB 3.44Å; T939-L941 WeakPolarHBondContact OG1-CG 3.14Å; T939-L941 PolarHBondContact OG1-N 3.43Å | ||
| 942 | P | 53.9 | Low | 57 | Low | 92 Ų | 92 | 92.2 Ų | 92.2 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | trans | -63.4 | 144.7 | -169.4 | 24.1 | -34.1 | 0 | 0 | 0 | 113.2 | Q917 V944 | Q917-P942 PolarHBondContact NE2-O 2.87Å; P942-V944 PolarHBondContact O-N 2.92Å; P942-V944 VanDerWaalsContact O-N 3.11Å | ||
| 943 | I | 54.7 | Low | 54.2 | Low | 69 Ų | 69 | 98.5 Ų | 98.5 | 35% | 0.354 | 54% | 0.538 | S | S | . | . | trans | -65.8 | 109.1 | 174.6 | -61 | 176.9 | 0 | 0 | 0 | 108.8 | A932 E933 H936 Q945 | A932-I943 HydrophobicContact CB-CG2 3.99Å; E933-I943 HydrophobicContact CG-CD1 4.21Å; H936-I943 HydrophobicContact CB-CD1 4.14Å; H936-I943 HydrophobicContact CB-CG1 3.52Å; I943-Q945 PolarHBondContact O-N 2.77Å | ||
| 944 | V | 48.3 | Very low | 51.3 | Low | 86 Ų | 86 | 102.8 Ų | 102.8 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | trans | -68.1 | 100.8 | 173.7 | -179 | 0 | 0 | 0 | 0 | 108.8 | P942 | P942-V944 PolarHBondContact O-N 2.92Å; P942-V944 VanDerWaalsContact O-N 3.11Å | ||
| 945 | Q | 39.6 | Very low | 48.4 | Very low | 150 Ų | 150 | 108.3 Ų | 108.3 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | trans | -69.2 | 140.8 | 171 | -65.1 | -171.4 | -0.4 | 0 | 0 | 109.4 | I943 N947 S948 | I943-Q945 PolarHBondContact O-N 2.77Å; Q945-N947 PolarHBondContact O-N 3.25Å; Q945-S948 PolarHBondContact O-N 3.08Å; Q945-S948 PolarHBondContact O-OG 2.95Å | ||
| 946 | S | 32.2 | Very low | 45.7 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 81% | 0.811 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 0.8 | -164.2 | 52.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 947 | N | 29.7 | Very low | 43 | Very low | 159 Ų | 159 | 117.2 Ų | 117.2 | 85% | 0.85 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 9.4 | -175.5 | -62.9 | 9.1 | 0 | 0 | 0 | 112.9 | Q945 | Q945-N947 PolarHBondContact O-N 3.25Š|
| 948 | S | 28.4 | Very low | 40.3 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | trans | -132 | 79.3 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | Q945 | Q945-S948 PolarHBondContact O-N 3.08Å; Q945-S948 PolarHBondContact O-OG 2.95Å | ||
| 949 | I | 33.3 | Very low | 38.1 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -97.7 | -28.8 | 160 | -67.6 | 178.3 | 0 | 0 | 0 | 110 | K951 | I949-K951 PolarHBondContact O-N 3.14Š|
| 950 | D | 26.2 | Very low | 36 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -83.4 | 87.6 | 169.6 | -67.7 | -53.6 | 0 | 0 | 0 | 112.1 | ||
| 951 | K | 25.8 | Very low | 34.2 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 161.7 | 89.9 | 147.6 | -91.1 | 160.1 | -177 | 176.7 | 0 | 111.2 | I949 | I949-K951 PolarHBondContact O-N 3.14Š| ||
| 952 | F | 28.6 | Very low | 32.9 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -157.9 | 76.7 | 157.9 | -100.9 | -63.7 | 0 | 0 | 0 | 112.8 | ||||
| 953 | V | 27 | Very low | 31.8 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -147 | 91.6 | 136.2 | -177 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 954 | D | 25.3 | Very low | 30.4 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -160.3 | 80.4 | 157.7 | -141.7 | -11.8 | 0 | 0 | 0 | 112 | ||||
| 955 | T | 30.5 | Very low | 29.3 | Very low | 137 Ų | 137 | 151 Ų | 151 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | -139.9 | 70.4 | 169.8 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 956 | S | 26.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | trans | -90.4 | 96.6 | 162.3 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 957 | N | 28.1 | Very low | 28.4 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | 170.5 | 92.5 | 155 | -92.6 | -39.1 | 0 | 0 | 0 | 111.8 | ||||
| 958 | Q | 27.5 | Very low | 28.3 | Very low | 209 Ų | 209 | 153.2 Ų | 153.2 | 98% | 0.977 | 84% | 0.835 | S | S | * | * | trans | -174.4 | 116.6 | 132 | -104.1 | 170.7 | 32.1 | 0 | 0 | 109.9 | ||||
| 959 | G | 34.1 | Very low | 28.3 | Very low | 79 Ų | 79 | 160 Ų | 160 | 81% | 0.814 | 86% | 0.863 | S | S | * | * | trans | -165.4 | 132.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 960 | M | 26.3 | Very low | 27.8 | Very low | 270 Ų | 270 | 159.8 Ų | 159.8 | 100% | 1.33 | 87% | 0.866 | S | S | * | * | trans | -90.5 | 0 | 172.3 | -67.8 | 177.2 | 63.6 | 0 | 0 | 110.4 |
Retrieved 960 of 960 residues in 249.9 ms
(Link to these results)