| 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 | 40.2 | Very low | 71 | Confident | 248 Ų | 248 | 98.5 Ų | 98.5 | 100% | 1.222 | 49% | 0.492 | S | S | * | . | 0 | 104.6 | 0 | -75.4 | 171.4 | 164.5 | 0 | 0 | 108.2 | |||||
| 2 | R | 45.7 | Very low | 72.6 | Confident | 234 Ų | 234 | 93.3 Ų | 93.3 | 88% | 0.883 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 127.3 | 174.4 | -78.5 | -178.6 | 175.5 | 172.9 | -1.6 | 108.7 | R67 | R2-R67 PolarHBondContact O-NH2 2.92Š|
| 3 | S | 58.5 | Low | 74.1 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -56 | 134 | 177.1 | 52 | 0 | 0 | 0 | 0 | 110.6 | ||
| 4 | R | 62.5 | Low | 75.6 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 149.4 | 175.2 | -155.7 | 166.2 | 177.2 | -156.6 | -17.3 | 109 | D12 D70 K73 | R4-D12 IonicContact CZ-OD1 3Å; R4-D12 IonicContact CZ-OD2 3.78Å; R4-D12 IonicContact NH1-OD1 3.49Å; R4-D12 IonicContact NH1-OD2 3.01Å; R4-D12 PolarHBondContact NH1-OD2 2.6Å; R4-D12 IonicContact NH2-OD1 2.99Å; R4-D12 PolarHBondContact NH2-OD1 3.04Å; R4-D12 IonicContact NH2-OD2 3.52Å; R4-D12 PolarHBondContact NH2-OD2 3.16Å; R4-D70 IonicContact CZ-OD1 3.32Å; R4-D70 IonicContact NE-OD1 3.14Å; R4-D70 IonicContact NH2-OD1 3.27Å; R4-D70 PolarHBondContact NH2-OD1 3.31Å; R4-K73 VanDerWaalsContact NH2-NZ 3.18Å |
| 5 | S | 70.4 | Confident | 76.8 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 25% | 0.245 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.7 | 178.3 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | S7 G8 V9 D66 | S5-S7 WeakPolarHBondContact CB-OG 2.97Å; S5-S7 PolarHBondContact O-N 2.85Å; S5-S7 PolarHBondContact OG-OG 2.98Å; S5-S7 VanDerWaalsContact OG-OG 3.11Å; S5-G8 PolarHBondContact O-N 3.34Å; S5-G8 VanDerWaalsContact O-N 3.11Å; S5-G8 PolarHBondContact OG-N 3.29Å; S5-V9 PolarHBondContact O-N 2.85Å; S5-D66 VanDerWaalsContact CB-OD2 3.29Å; S5-D66 WeakPolarHBondContact CB-OD2 3.47Å; S5-D66 PolarHBondContact OG-OD2 2.85Å |
| 6 | N | 77.8 | Confident | 77.9 | Confident | 142 Ų | 142 | 85.4 Ų | 85.4 | 76% | 0.759 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.4 | -30.3 | 176.6 | -94.9 | -12.1 | 0 | 0 | 0 | 112 | R10 | N6-R10 WeakPolarHBondContact O-CG 3.3Å; N6-R10 PolarHBondContact O-N 3.22Å |
| 7 | S | 78.7 | Confident | 78.8 | Confident | 35 Ų | 35 | 81.9 Ų | 81.9 | 25% | 0.245 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -50 | 172.8 | 44.6 | 0 | 0 | 0 | 0 | 111.8 | S5 V9 R10 L11 | S5-S7 WeakPolarHBondContact CB-OG 2.97Å; S5-S7 PolarHBondContact O-N 2.85Å; S5-S7 PolarHBondContact OG-OG 2.98Å; S5-S7 VanDerWaalsContact OG-OG 3.11Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 3.28Å; S7-R10 PolarHBondContact O-N 3.23Å; S7-R10 VanDerWaalsContact O-N 3.16Å; S7-L11 WeakPolarHBondContact O-CG 3.49Å; S7-L11 PolarHBondContact O-N 2.9Å |
| 8 | G | 81.3 | Confident | 79.8 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S5 L11 D12 | S5-G8 PolarHBondContact O-N 3.34Å; S5-G8 VanDerWaalsContact O-N 3.11Å; S5-G8 PolarHBondContact OG-N 3.29Å; G8-L11 PolarHBondContact O-N 3.29Å; G8-D12 PolarHBondContact O-N 3.3Å |
| 9 | V | 84.9 | Confident | 80.6 | Confident | 83 Ų | 83 | 78.7 Ų | 78.7 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | S5 S7 D12 G13 | S5-V9 PolarHBondContact O-N 2.85Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 3.28Å; V9-D12 PolarHBondContact O-N 3.21Å; V9-G13 PolarHBondContact O-N 2.92Å |
| 10 | R | 89.1 | Confident | 81.2 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 176.7 | -72.5 | -176 | 70 | 166 | 14.5 | 111.9 | N6 S7 D12 G13 Y14 E415 F417 | N6-R10 WeakPolarHBondContact O-CG 3.3Å; N6-R10 PolarHBondContact O-N 3.22Å; S7-R10 PolarHBondContact O-N 3.23Å; S7-R10 VanDerWaalsContact O-N 3.16Å; R10-D12 VanDerWaalsContact C-N 3.31Å; R10-D12 PolarHBondContact O-N 2.96Å; R10-G13 VanDerWaalsContact O-CA 3.31Å; R10-G13 WeakPolarHBondContact O-CA 3.48Å; R10-G13 PolarHBondContact O-N 3.44Å; R10-Y14 WeakPolarHBondContact O-CD2 3.31Å; R10-Y14 PolarHBondContact O-N 3.33Å; R10-Y14 VanDerWaalsContact O-N 3.1Å; R10-E415 IonicContact CZ-OE2 3.82Å; R10-E415 IonicContact NE-OE2 2.7Å; R10-E415 IonicContact NH2-OE1 3.82Å; R10-E415 PolarHBondContact NH2-OE1 3.46Å; R10-E415 IonicContact NH2-OE2 3.76Å; R10-E415 PolarHBondContact NH2-OE2 2.89Å; R10-F417 HydrophobicContact CB-CE2 4.3Å; R10-F417 HydrophobicContact CB-CZ 3.75Å; R10-F417 HydrophobicContact CG-CZ 4.48Å |
| 11 | L | 91.6 | Very high | 81.8 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 175.1 | -69.4 | 176.1 | 0 | 0 | 0 | 112.1 | S7 G8 G13 Y14 A15 L57 A60 Y61 N64 L412 F417 | S7-L11 WeakPolarHBondContact O-CG 3.49Å; S7-L11 PolarHBondContact O-N 2.9Å; G8-L11 PolarHBondContact O-N 3.29Å; L11-G13 PolarHBondContact O-N 3.41Å; L11-Y14 PolarHBondContact O-N 3.3Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 3.43Å; L11-L57 HydrophobicContact CD2-CD1 4.04Å; L11-A60 HydrophobicContact CD2-CB 3.92Å; L11-Y61 HydrophobicContact CB-CD1 4.41Å; L11-Y61 HydrophobicContact CB-CE1 3.78Å; L11-Y61 HydrophobicContact CB-CE2 4.21Å; L11-Y61 HydrophobicContact CD1-CD1 4.15Å; L11-Y61 HydrophobicContact CD1-CE1 4.29Å; L11-Y61 PolarHBondContact O-OH 3.03Å; L11-N64 HydrophobicContact CD1-CB 4.06Å; L11-L412 HydrophobicContact CD2-CD2 4.1Å; L11-F417 HydrophobicContact CD1-CD1 4.48Å; L11-F417 HydrophobicContact CD2-CB 4.41Å; L11-F417 HydrophobicContact CD2-CD1 3.88Å; L11-F417 HydrophobicContact CD2-CE1 4.28Å; L11-F417 HydrophobicContact CD2-CG 4.05Å; L11-F417 HydrophobicContact CG-CD1 4.15Å; L11-F417 HydrophobicContact CG-CE1 4.16Å |
| 12 | D | 90.8 | Very high | 84.5 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -31.2 | 171.3 | -74.1 | -22.6 | 0 | 0 | 0 | 111.9 | R4 G8 V9 R10 R16 Y61 K73 | R4-D12 IonicContact CZ-OD1 3Å; R4-D12 IonicContact CZ-OD2 3.78Å; R4-D12 IonicContact NH1-OD1 3.49Å; R4-D12 IonicContact NH1-OD2 3.01Å; R4-D12 PolarHBondContact NH1-OD2 2.6Å; R4-D12 IonicContact NH2-OD1 2.99Å; R4-D12 PolarHBondContact NH2-OD1 3.04Å; R4-D12 IonicContact NH2-OD2 3.52Å; R4-D12 PolarHBondContact NH2-OD2 3.16Å; G8-D12 PolarHBondContact O-N 3.3Å; V9-D12 PolarHBondContact O-N 3.21Å; R10-D12 VanDerWaalsContact C-N 3.31Å; R10-D12 PolarHBondContact O-N 2.96Å; D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.48Å; D12-Y61 WeakPolarHBondContact CA-OH 3.33Å; D12-Y61 PolarHBondContact N-OH 3.2Å; D12-Y61 VanDerWaalsContact N-OH 3.17Å; D12-Y61 PolarHBondContact OD1-OH 3.15Å; D12-K73 IonicContact OD1-NZ 3.75Å; D12-K73 PolarHBondContact OD1-NZ 2.89Å |
| 13 | G | 92.1 | Very high | 86.9 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V9 R10 L11 R16 L17 | V9-G13 PolarHBondContact O-N 2.92Å; R10-G13 VanDerWaalsContact O-CA 3.31Å; R10-G13 WeakPolarHBondContact O-CA 3.48Å; R10-G13 PolarHBondContact O-N 3.44Å; L11-G13 PolarHBondContact O-N 3.41Å; G13-R16 PolarHBondContact O-N 3.22Å; G13-L17 PolarHBondContact O-N 3.33Å |
| 14 | Y | 94.9 | Very high | 88.6 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 174.8 | -73.3 | -68 | 0 | 0 | 0 | 112.6 | R10 L11 R16 L17 V18 I408 S411 L412 E415 F417 | R10-Y14 WeakPolarHBondContact O-CD2 3.31Å; R10-Y14 PolarHBondContact O-N 3.33Å; R10-Y14 VanDerWaalsContact O-N 3.1Å; L11-Y14 PolarHBondContact O-N 3.3Å; Y14-R16 VanDerWaalsContact C-N 3.35Å; Y14-R16 PolarHBondContact O-N 3.02Å; Y14-L17 HydrophobicContact CD1-CD2 4.5Å; Y14-L17 WeakPolarHBondContact O-CB 3.39Å; Y14-L17 PolarHBondContact O-N 3.46Å; Y14-L17 VanDerWaalsContact O-N 3.13Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 2.91Å; Y14-I408 HydrophobicContact CD1-CG2 4.03Å; Y14-S411 WeakPolarHBondContact OH-CB 3.41Å; Y14-L412 HydrophobicContact CD1-CD2 4.41Å; Y14-L412 HydrophobicContact CD2-CD2 3.61Å; Y14-L412 HydrophobicContact CE2-CD2 3.82Å; Y14-L412 HydrophobicContact CG-CD2 3.93Å; Y14-E415 WeakPolarHBondContact CE2-OE2 3.05Å; Y14-E415 PolarHBondContact OH-OE1 2.84Å; Y14-E415 PolarHBondContact OH-OE2 3.48Å; Y14-F417 HydrophobicContact CE2-CD2 4.37Å; Y14-F417 HydrophobicContact CE2-CE2 4.21Å |
| 15 | A | 94.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L11 L17 V18 Q19 L57 Y61 | L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 3.43Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 3.42Å; A15-V18 PolarHBondContact O-N 3.43Å; A15-Q19 VanDerWaalsContact O-CB 3.31Å; A15-Q19 WeakPolarHBondContact O-CB 3.25Å; A15-Q19 PolarHBondContact O-N 3.03Å; A15-L57 HydrophobicContact CB-CD2 4.02Å; A15-Y61 HydrophobicContact CB-CE2 4.24Å |
| 16 | R | 93.2 | Very high | 91.4 | Very high | 170 Ų | 170 | 49.6 Ų | 49.6 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 172.6 | -74.5 | -173.9 | -65.5 | 155.5 | -0.7 | 111.9 | D12 G13 Y14 Q19 Q20 | D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.48Å; G13-R16 PolarHBondContact O-N 3.22Å; Y14-R16 VanDerWaalsContact C-N 3.35Å; Y14-R16 PolarHBondContact O-N 3.02Å; R16-Q19 PolarHBondContact O-N 3.26Å; R16-Q20 WeakPolarHBondContact O-CB 3.28Å; R16-Q20 VanDerWaalsContact O-CG 3.29Å; R16-Q20 WeakPolarHBondContact O-CG 3.44Å; R16-Q20 PolarHBondContact O-N 3.15Å |
| 17 | L | 93.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 178.2 | -178.1 | 61.1 | 0 | 0 | 0 | 111.5 | G13 Y14 A15 Q19 Q20 T21 I366 I408 | G13-L17 PolarHBondContact O-N 3.33Å; Y14-L17 HydrophobicContact CD1-CD2 4.5Å; Y14-L17 WeakPolarHBondContact O-CB 3.39Å; Y14-L17 PolarHBondContact O-N 3.46Å; Y14-L17 VanDerWaalsContact O-N 3.13Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 3.42Å; L17-Q19 PolarHBondContact O-N 2.72Å; L17-Q20 PolarHBondContact O-N 3.38Å; L17-T21 HydrophobicContact CD1-CG2 3.85Å; L17-T21 WeakPolarHBondContact O-CB 3.34Å; L17-T21 WeakPolarHBondContact O-CG2 3.4Å; L17-T21 PolarHBondContact O-N 2.88Å; L17-T21 PolarHBondContact O-OG1 2.9Å; L17-I366 HydrophobicContact CD1-CG2 3.54Å; L17-I408 HydrophobicContact CD2-CD1 3.91Å; L17-I408 HydrophobicContact CD2-CG1 3.68Å; L17-I408 HydrophobicContact CG-CD1 3.86Å; L17-I408 HydrophobicContact CG-CG1 4.22Å |
| 18 | V | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 176.6 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | Y14 A15 Q20 I22 L23 A53 V54 L57 I408 | Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 2.91Å; A15-V18 PolarHBondContact O-N 3.43Å; V18-Q20 VanDerWaalsContact C-N 3.34Å; V18-Q20 PolarHBondContact O-N 3.48Å; V18-I22 WeakPolarHBondContact O-CA 3.33Å; V18-I22 PolarHBondContact O-N 2.94Å; V18-L23 HydrophobicContact CG1-CD1 3.82Å; V18-L23 HydrophobicContact CG1-CG 3.87Å; V18-L23 PolarHBondContact O-N 2.95Å; V18-A53 HydrophobicContact CG2-CB 4.48Å; V18-V54 HydrophobicContact CG1-CG2 3.73Å; V18-L57 HydrophobicContact CB-CD2 4.25Å; V18-L57 HydrophobicContact CG2-CD2 3.93Å; V18-I408 HydrophobicContact CG2-CD1 3.9Å; V18-I408 HydrophobicContact CG2-CG2 4.15Å |
| 19 | Q | 95.2 | Very high | 93.5 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 179.2 | -170.1 | 63.1 | 29.1 | 0 | 0 | 112.4 | A15 R16 L17 C24 | A15-Q19 VanDerWaalsContact O-CB 3.31Å; A15-Q19 WeakPolarHBondContact O-CB 3.25Å; A15-Q19 PolarHBondContact O-N 3.03Å; R16-Q19 PolarHBondContact O-N 3.26Å; L17-Q19 PolarHBondContact O-N 2.72Å; Q19-C24 WeakPolarHBondContact O-CB 3.46Å; Q19-C24 PolarHBondContact O-N 2.98Å |
| 20 | Q | 93.6 | Very high | 94 | Very high | 101 Ų | 101 | 49.8 Ų | 49.8 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -84.4 | -22.8 | -175.6 | -71.1 | 176.2 | -19.8 | 0 | 0 | 113.8 | R16 L17 V18 C24 I366 | R16-Q20 WeakPolarHBondContact O-CB 3.28Å; R16-Q20 VanDerWaalsContact O-CG 3.29Å; R16-Q20 WeakPolarHBondContact O-CG 3.44Å; R16-Q20 PolarHBondContact O-N 3.15Å; L17-Q20 PolarHBondContact O-N 3.38Å; V18-Q20 VanDerWaalsContact C-N 3.34Å; V18-Q20 PolarHBondContact O-N 3.48Å; Q20-C24 PolarHBondContact O-SG 3.27Å; Q20-I366 HydrophobicContact CB-CD1 4.24Å |
| 21 | T | 93.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -113.4 | -25.6 | -175 | 63 | 0 | 0 | 0 | 0 | 114.7 | L17 Y25 I366 L368 L401 | L17-T21 HydrophobicContact CD1-CG2 3.85Å; L17-T21 WeakPolarHBondContact O-CB 3.34Å; L17-T21 WeakPolarHBondContact O-CG2 3.4Å; L17-T21 PolarHBondContact O-N 2.88Å; L17-T21 PolarHBondContact O-OG1 2.9Å; T21-Y25 WeakPolarHBondContact O-CE2 3.42Å; T21-I366 HydrophobicContact CG2-CG2 3.9Å; T21-L368 HydrophobicContact CG2-CD2 3.75Å; T21-L401 WeakPolarHBondContact O-CD2 3.21Å |
| 22 | I | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -63.2 | -176 | -60.1 | 174 | 0 | 0 | 0 | 111.1 | V18 C24 Y25 L33 A53 V54 I408 | V18-I22 WeakPolarHBondContact O-CA 3.33Å; V18-I22 PolarHBondContact O-N 2.94Å; I22-C24 PolarHBondContact O-N 2.62Å; I22-C24 VanDerWaalsContact O-N 3.14Å; I22-Y25 PolarHBondContact O-N 2.8Å; I22-L33 HydrophobicContact CG2-CD1 4.22Å; I22-L33 HydrophobicContact CG2-CD2 4.29Å; I22-L33 WeakPolarHBondContact O-CD2 3.42Å; I22-A53 HydrophobicContact CD1-CB 3.79Å; I22-V54 HydrophobicContact CG2-CG2 4.19Å; I22-I408 HydrophobicContact CD1-CD1 4.05Å |
| 23 | L | 96.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -67.3 | -18.7 | -172 | -66.3 | 174.8 | 0 | 0 | 0 | 113.4 | V18 Y25 Q26 V54 L77 N80 | V18-L23 HydrophobicContact CG1-CD1 3.82Å; V18-L23 HydrophobicContact CG1-CG 3.87Å; V18-L23 PolarHBondContact O-N 2.95Å; L23-Y25 PolarHBondContact O-N 3.07Å; L23-Q26 VanDerWaalsContact CD2-OE1 3.23Å; L23-Q26 WeakPolarHBondContact O-CB 3.23Å; L23-Q26 PolarHBondContact O-N 3.01Å; L23-V54 HydrophobicContact CD2-CG1 4.22Å; L23-V54 HydrophobicContact CD2-CG2 3.86Å; L23-V54 HydrophobicContact CG-CG2 4.17Å; L23-L77 HydrophobicContact CD1-CD2 4.1Å; L23-N80 HydrophobicContact CD2-CB 4.18Å |
| 24 | C | 94 | Very high | 94.9 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -62.6 | -19.1 | 171.5 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | Q19 Q20 I22 | Q19-C24 WeakPolarHBondContact O-CB 3.46Å; Q19-C24 PolarHBondContact O-N 2.98Å; Q20-C24 PolarHBondContact O-SG 3.27Å; I22-C24 PolarHBondContact O-N 2.62Å; I22-C24 VanDerWaalsContact O-N 3.14Å |
| 25 | Y | 94.9 | Very high | 94.2 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -97.1 | -2 | 175 | -62.9 | -77.5 | 0 | 0 | 0 | 113.3 | T21 I22 L23 S34 H37 L401 | T21-Y25 WeakPolarHBondContact O-CE2 3.42Å; I22-Y25 PolarHBondContact O-N 2.8Å; L23-Y25 PolarHBondContact O-N 3.07Å; Y25-S34 PolarHBondContact O-N 3.3Å; Y25-H37 AromaticContact CD1-CE1 3.97Å; Y25-H37 AromaticContact CE1-CD2 3.5Å; Y25-H37 AromaticContact CE1-CE1 3.7Å; Y25-H37 AromaticContact CE1-CG 3.78Å; Y25-H37 AromaticContact CE1-ND1 3.9Å; Y25-H37 AromaticContact CE1-NE2 3.47Å; Y25-H37 WeakPolarHBondContact CE1-NE2 3.41Å; Y25-H37 AromaticContact CZ-NE2 3.93Å; Y25-L401 HydrophobicContact CD2-CD1 4.28Å; Y25-L401 HydrophobicContact CD2-CD2 3.74Å; Y25-L401 HydrophobicContact CE2-CD2 3.92Å; Y25-L401 HydrophobicContact CG-CD1 4.42Å |
| 26 | Q | 96.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 125.8 | -176.2 | -161.2 | 178.1 | 21.5 | 0 | 0 | 110.8 | L23 G31 L33 N80 | L23-Q26 VanDerWaalsContact CD2-OE1 3.23Å; L23-Q26 WeakPolarHBondContact O-CB 3.23Å; L23-Q26 PolarHBondContact O-N 3.01Å; Q26-G31 WeakPolarHBondContact CG-O 3.47Å; Q26-G31 PolarHBondContact NE2-O 3.23Å; Q26-L33 HydrophobicContact CB-CD2 3.69Å; Q26-L33 HydrophobicContact CG-CD2 4.12Å; Q26-N80 PolarHBondContact NE2-O 3.22Å |
| 27 | N | 95.4 | Very high | 93 | Very high | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | trans | -66.4 | 126.9 | 174.5 | -175.2 | -73.5 | 0 | 0 | 0 | 110 | V29 T30 G31 L32 | N27-V29 PolarHBondContact O-N 3.25Å; N27-V29 VanDerWaalsContact O-N 3.16Å; N27-V29 WeakPolarHBondContact OD1-CA 3.41Å; N27-V29 WeakPolarHBondContact OD1-CB 3.2Å; N27-V29 PolarHBondContact OD1-N 2.87Å; N27-T30 WeakPolarHBondContact CB-OG1 3.31Å; N27-T30 PolarHBondContact OD1-N 3.39Å; N27-T30 PolarHBondContact OD1-OG1 3.14Å; N27-G31 VanDerWaalsContact O-CA 3.26Å; N27-G31 WeakPolarHBondContact O-CA 3.45Å; N27-G31 PolarHBondContact O-N 3.39Å; N27-L32 WeakPolarHBondContact CB-O 3.43Å; N27-L32 PolarHBondContact N-O 3.35Å | ||
| 28 | P | 93.1 | Very high | 92.3 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 68% | 0.675 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -5.8 | -174.3 | 30.4 | -37.1 | 0 | 0 | 0 | 113.9 | K83 | P28-K83 VanDerWaalsContact O-CE 3.3Å; P28-K83 WeakPolarHBondContact O-CE 3.33Å; P28-K83 PolarHBondContact O-NZ 3.09Å |
| 29 | V | 93.4 | Very high | 91.5 | Very high | 116 Ų | 116 | 50 Ų | 50 | 70% | 0.703 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -58.3 | 178 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | N27 K83 | N27-V29 PolarHBondContact O-N 3.25Å; N27-V29 VanDerWaalsContact O-N 3.16Å; N27-V29 WeakPolarHBondContact OD1-CA 3.41Å; N27-V29 WeakPolarHBondContact OD1-CB 3.2Å; N27-V29 PolarHBondContact OD1-N 2.87Å; V29-K83 WeakPolarHBondContact O-CE 3.43Å |
| 30 | T | 95.4 | Very high | 91.1 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -21.3 | -174.8 | 63 | 0 | 0 | 0 | 0 | 113 | N27 L32 G87 T118 A119 C121 | N27-T30 WeakPolarHBondContact CB-OG1 3.31Å; N27-T30 PolarHBondContact OD1-N 3.39Å; N27-T30 PolarHBondContact OD1-OG1 3.14Å; T30-L32 PolarHBondContact O-N 2.8Å; T30-L32 PolarHBondContact OG1-N 2.69Å; T30-G87 WeakPolarHBondContact O-CA 3.5Å; T30-T118 WeakPolarHBondContact CB-O 3.4Å; T30-T118 VanDerWaalsContact CG2-O 3.31Å; T30-T118 WeakPolarHBondContact CG2-O 3.26Å; T30-T118 PolarHBondContact OG1-O 3.04Å; T30-A119 WeakPolarHBondContact CG2-O 3.12Å; T30-C121 VanDerWaalsContact CG2-SG 3.56Å |
| 31 | G | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 77.1 | -2.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q26 N27 L84 | Q26-G31 WeakPolarHBondContact CG-O 3.47Å; Q26-G31 PolarHBondContact NE2-O 3.23Å; N27-G31 VanDerWaalsContact O-CA 3.26Å; N27-G31 WeakPolarHBondContact O-CA 3.45Å; N27-G31 PolarHBondContact O-N 3.39Å; G31-L84 WeakPolarHBondContact O-CA 3.44Å; G31-L84 VanDerWaalsContact O-CB 3.23Å; G31-L84 WeakPolarHBondContact O-CB 3.46Å; G31-L84 WeakPolarHBondContact O-CD1 3.36Å; G31-L84 WeakPolarHBondContact O-CG 3.33Å | ||
| 32 | L | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 142.7 | -179.8 | -62.6 | 175 | 0 | 0 | 0 | 111.6 | N27 T30 A42 L88 T118 | N27-L32 WeakPolarHBondContact CB-O 3.43Å; N27-L32 PolarHBondContact N-O 3.35Å; T30-L32 PolarHBondContact O-N 2.8Å; T30-L32 PolarHBondContact OG1-N 2.69Å; L32-A42 HydrophobicContact CB-CB 4Å; L32-A42 HydrophobicContact CD1-CB 4.24Å; L32-A42 HydrophobicContact CD2-CB 4.49Å; L32-A42 HydrophobicContact CG-CB 4.48Å; L32-L88 HydrophobicContact CD2-CD2 3.62Å; L32-L88 HydrophobicContact CD2-CG 3.91Å; L32-T118 HydrophobicContact CB-CG2 4.17Å |
| 33 | L | 96 | Very high | 91 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 127.3 | 173.6 | -66.9 | 164.7 | 0 | 0 | 0 | 110.2 | I22 Q26 A42 N47 S50 L84 | I22-L33 HydrophobicContact CG2-CD1 4.22Å; I22-L33 HydrophobicContact CG2-CD2 4.29Å; I22-L33 WeakPolarHBondContact O-CD2 3.42Å; Q26-L33 HydrophobicContact CB-CD2 3.69Å; Q26-L33 HydrophobicContact CG-CD2 4.12Å; L33-A42 WeakPolarHBondContact O-CB 3.29Å; L33-N47 PolarHBondContact N-OD1 3.26Å; L33-N47 PolarHBondContact O-ND2 2.91Å; L33-S50 VanDerWaalsContact CD1-CB 3.5Å; L33-L84 HydrophobicContact CB-CD1 4.47Å; L33-L84 HydrophobicContact CD1-CD1 3.54Å; L33-L84 HydrophobicContact CG-CD1 3.68Å |
| 34 | S | 92.8 | Very high | 91 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 143.2 | 167.3 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | Y25 S36 L401 | Y25-S34 PolarHBondContact O-N 3.3Å; S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 PolarHBondContact O-N 3.05Å; S34-S36 PolarHBondContact OG-O 2.94Å; S34-L401 WeakPolarHBondContact O-CD1 3.37Å |
| 35 | A | 81.1 | Confident | 91.1 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -58.2 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q39 D41 W43 | A35-Q39 HydrophobicContact CB-CB 4.15Å; A35-Q39 HydrophobicContact CB-CG 4.06Å; A35-Q39 PolarHBondContact N-O 3.36Å; A35-D41 PolarHBondContact N-O 3.26Å; A35-D41 VanDerWaalsContact N-O 3.13Å; A35-W43 HydrophobicContact CB-CE3 4.05Å; A35-W43 HydrophobicContact CB-CZ3 3.9Å |
| 36 | S | 82.3 | Confident | 91.1 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -160.6 | 179 | 169.7 | 74.4 | 0 | 0 | 0 | 0 | 110.3 | S34 E38 Q39 | S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 PolarHBondContact O-N 3.05Å; S34-S36 PolarHBondContact OG-O 2.94Å; S36-E38 PolarHBondContact O-N 3.25Å; S36-E38 PolarHBondContact OG-N 2.82Å; S36-Q39 PolarHBondContact N-O 2.98Å; S36-Q39 CarbonylContact O-C 3.59Å; S36-Q39 PolarHBondContact OG-N 2.98Å |
| 37 | H | 79.8 | Confident | 91.1 | Very high | 130 Ų | 130 | 44.4 Ų | 44.4 | 60% | 0.602 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -64.8 | -27.4 | 172.7 | -73.2 | -56 | 0 | 0 | 0 | 113.1 | Y25 | Y25-H37 AromaticContact CD1-CE1 3.97Å; Y25-H37 AromaticContact CE1-CD2 3.5Å; Y25-H37 AromaticContact CE1-CE1 3.7Å; Y25-H37 AromaticContact CE1-CG 3.78Å; Y25-H37 AromaticContact CE1-ND1 3.9Å; Y25-H37 AromaticContact CE1-NE2 3.47Å; Y25-H37 WeakPolarHBondContact CE1-NE2 3.41Å; Y25-H37 AromaticContact CZ-NE2 3.93Å |
| 38 | E | 78.7 | Confident | 91.2 | Very high | 187 Ų | 187 | 42.8 Ų | 42.8 | 87% | 0.874 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -86.1 | -40.5 | 178.4 | -64.3 | 172.1 | -179 | 0 | 0 | 111 | S36 | S36-E38 PolarHBondContact O-N 3.25Å; S36-E38 PolarHBondContact OG-N 2.82Å |
| 39 | Q | 79.8 | Confident | 91.5 | Very high | 69 Ų | 69 | 38 Ų | 38 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | trans | -101.7 | 93.9 | -179.7 | -167.2 | 175.8 | 29.1 | 0 | 0 | 110.3 | A35 S36 D41 W43 K397 | A35-Q39 HydrophobicContact CB-CB 4.15Å; A35-Q39 HydrophobicContact CB-CG 4.06Å; A35-Q39 PolarHBondContact N-O 3.36Å; S36-Q39 PolarHBondContact N-O 2.98Å; S36-Q39 CarbonylContact O-C 3.59Å; S36-Q39 PolarHBondContact OG-N 2.98Å; Q39-D41 VanDerWaalsContact C-N 3.28Å; Q39-D41 PolarHBondContact O-N 3.32Å; Q39-W43 HydrophobicContact CG-CH2 4.13Å; Q39-W43 HydrophobicContact CG-CZ3 3.96Å; Q39-K397 VanDerWaalsContact OE1-CE 3.28Å | ||
| 40 | K | 86.4 | Confident | 91.6 | Very high | 137 Ų | 137 | 32.4 Ų | 32.4 | 60% | 0.596 | 16% | 0.157 | S | C | * | . | trans | -82.2 | 1.8 | -171.9 | -63.5 | -173.7 | -179.1 | 178.3 | 0 | 115 | T118 | K40-T118 WeakPolarHBondContact O-CB 3.24Å; K40-T118 WeakPolarHBondContact O-CG2 3.14Å; K40-T118 PolarHBondContact O-OG1 3.39Å | ||
| 41 | D | 92.6 | Very high | 91.8 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 148.4 | 179.3 | -53.7 | -28 | 0 | 0 | 0 | 110.7 | A35 Q39 W43 Y116 | A35-D41 PolarHBondContact N-O 3.26Å; A35-D41 VanDerWaalsContact N-O 3.13Å; Q39-D41 VanDerWaalsContact C-N 3.28Å; Q39-D41 PolarHBondContact O-N 3.32Å; D41-W43 HydrophobicContact CB-CE3 4.21Å; D41-W43 HydrophobicContact CB-CH2 3.86Å; D41-W43 HydrophobicContact CB-CZ3 3.52Å; D41-Y116 CarbonylContact C-O 3.6Å; D41-Y116 WeakPolarHBondContact CA-O 3.38Å |
| 42 | A | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | L32 L33 K115 Y116 T118 | L32-A42 HydrophobicContact CB-CB 4Å; L32-A42 HydrophobicContact CD1-CB 4.24Å; L32-A42 HydrophobicContact CD2-CB 4.49Å; L32-A42 HydrophobicContact CG-CB 4.48Å; L33-A42 WeakPolarHBondContact O-CB 3.29Å; A42-K115 CarbonylContact O-C 3.6Å; A42-K115 VanDerWaalsContact O-CA 3.29Å; A42-K115 WeakPolarHBondContact O-CA 3.39Å; A42-Y116 PolarHBondContact N-O 3.04Å; A42-Y116 PolarHBondContact O-N 3.25Å; A42-T118 HydrophobicContact CB-CG2 3.68Å |
| 43 | W | 95.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 5% | 0.045 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 133.8 | 167.5 | -81.6 | -104.6 | 0 | 0 | 0 | 109.8 | A35 Q39 D41 R45 D46 N47 K115 W130 E185 | A35-W43 HydrophobicContact CB-CE3 4.05Å; A35-W43 HydrophobicContact CB-CZ3 3.9Å; Q39-W43 HydrophobicContact CG-CH2 4.13Å; Q39-W43 HydrophobicContact CG-CZ3 3.96Å; D41-W43 HydrophobicContact CB-CE3 4.21Å; D41-W43 HydrophobicContact CB-CH2 3.86Å; D41-W43 HydrophobicContact CB-CZ3 3.52Å; W43-R45 VanDerWaalsContact C-N 3.32Å; W43-R45 PolarHBondContact O-N 2.99Å; W43-D46 HydrophobicContact CB-CB 4.01Å; W43-D46 PolarHBondContact O-N 3.4Å; W43-N47 VanDerWaalsContact O-CB 3.29Å; W43-N47 WeakPolarHBondContact O-CB 3.47Å; W43-N47 PolarHBondContact O-N 3.2Å; W43-N47 PolarHBondContact O-ND2 3.27Å; W43-K115 HydrophobicContact CD2-CB 3.98Å; W43-K115 HydrophobicContact CG-CB 4.13Å; W43-K115 HydrophobicContact CH2-CD 4.03Å; W43-K115 HydrophobicContact CZ2-CB 4.31Å; W43-K115 HydrophobicContact CZ2-CD 3.45Å; W43-K115 VanDerWaalsContact CZ2-CD 3.45Å; W43-K115 HydrophobicContact CZ2-CG 4.49Å; W43-W130 HydrophobicContact CZ2-CH2 4.44Å; W43-W130 AromaticContact CZ2-CZ2 3.99Å; W43-W130 HydrophobicContact CZ2-CZ2 3.99Å; W43-E185 VanDerWaalsContact CD1-OE1 3.28Å; W43-E185 PolarHBondContact NE1-OE1 2.89Å |
| 44 | V | 96.3 | Very high | 92 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.6 | -50.9 | -179.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | N47 I48 L88 M92 A114 Y116 A137 | V44-N47 WeakPolarHBondContact O-CB 3.35Å; V44-N47 PolarHBondContact O-N 3.03Å; V44-I48 HydrophobicContact CG1-CD1 3.7Å; V44-I48 WeakPolarHBondContact O-CD1 3.43Å; V44-I48 VanDerWaalsContact O-CG1 3.29Å; V44-I48 WeakPolarHBondContact O-CG1 3.47Å; V44-I48 PolarHBondContact O-N 3.01Å; V44-L88 HydrophobicContact CG2-CD2 4.23Å; V44-M92 HydrophobicContact CG1-CE 3.88Å; V44-M92 HydrophobicContact CG2-CE 4.22Å; V44-A114 WeakPolarHBondContact CG2-O 3.45Å; V44-A114 PolarHBondContact N-O 3.28Å; V44-Y116 HydrophobicContact CG2-CD2 4.08Å; V44-Y116 HydrophobicContact CG2-CE2 3.54Å; V44-A137 HydrophobicContact CB-CB 4.23Å; V44-A137 HydrophobicContact CG1-CB 4.21Å |
| 45 | R | 95.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -49.6 | -176.8 | 175.7 | 165.4 | 39.8 | 117.2 | 4.2 | 113.2 | W43 N47 I48 Y49 D136 A137 L140 M183 | W43-R45 VanDerWaalsContact C-N 3.32Å; W43-R45 PolarHBondContact O-N 2.99Å; R45-N47 PolarHBondContact O-N 3.38Å; R45-I48 PolarHBondContact O-N 3.1Å; R45-Y49 HydrophobicContact CG-CD2 3.63Å; R45-Y49 HydrophobicContact CG-CE2 3.69Å; R45-Y49 WeakPolarHBondContact O-CD2 2.95Å; R45-Y49 PolarHBondContact O-N 3.01Å; R45-D136 WeakPolarHBondContact CD-OD2 2.98Å; R45-D136 IonicContact CZ-OD2 3.94Å; R45-D136 IonicContact NE-OD2 3.78Å; R45-D136 PolarHBondContact NE-OD2 3.04Å; R45-A137 HydrophobicContact CB-CB 4.37Å; R45-L140 HydrophobicContact CB-CD2 4.34Å; R45-L140 HydrophobicContact CG-CD2 3.92Å; R45-M183 PolarHBondContact NH1-O 3Å; R45-M183 PolarHBondContact NH2-O 2.77Å |
| 46 | D | 94.3 | Very high | 93 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -40.9 | 176.7 | -68.6 | 36.2 | 0 | 0 | 0 | 110.7 | W43 S50 | W43-D46 HydrophobicContact CB-CB 4.01Å; W43-D46 PolarHBondContact O-N 3.4Å; D46-S50 WeakPolarHBondContact O-CB 3.36Å; D46-S50 PolarHBondContact O-N 3.15Å; D46-S50 PolarHBondContact O-OG 3.29Å |
| 47 | N | 97.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 177.7 | -90.1 | -106.2 | 0 | 0 | 0 | 111.9 | L33 W43 V44 R45 S50 I51 L84 L88 | L33-N47 PolarHBondContact N-OD1 3.26Å; L33-N47 PolarHBondContact O-ND2 2.91Å; W43-N47 VanDerWaalsContact O-CB 3.29Å; W43-N47 WeakPolarHBondContact O-CB 3.47Å; W43-N47 PolarHBondContact O-N 3.2Å; W43-N47 PolarHBondContact O-ND2 3.27Å; V44-N47 WeakPolarHBondContact O-CB 3.35Å; V44-N47 PolarHBondContact O-N 3.03Å; R45-N47 PolarHBondContact O-N 3.38Å; N47-S50 PolarHBondContact O-N 2.92Å; N47-I51 PolarHBondContact O-N 3.49Å; N47-L84 HydrophobicContact CB-CD1 4.25Å; N47-L84 HydrophobicContact CB-CD2 4.2Å; N47-L88 HydrophobicContact CB-CD1 4.18Å; N47-L88 HydrophobicContact CB-CD2 4.33Å |
| 48 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.1 | -49.2 | -179.5 | -63 | 156.7 | 0 | 0 | 0 | 110.8 | V44 R45 S50 I51 L52 M85 L88 L140 F141 F144 | V44-I48 HydrophobicContact CG1-CD1 3.7Å; V44-I48 WeakPolarHBondContact O-CD1 3.43Å; V44-I48 VanDerWaalsContact O-CG1 3.29Å; V44-I48 WeakPolarHBondContact O-CG1 3.47Å; V44-I48 PolarHBondContact O-N 3.01Å; R45-I48 PolarHBondContact O-N 3.1Å; I48-S50 VanDerWaalsContact C-N 3.29Å; I48-S50 PolarHBondContact O-N 2.94Å; I48-I51 WeakPolarHBondContact O-CG2 2.96Å; I48-I51 PolarHBondContact O-N 2.74Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3Å; I48-M85 HydrophobicContact CG1-SD 4.42Å; I48-L88 HydrophobicContact CD1-CD1 4.23Å; I48-L88 HydrophobicContact CG1-CD1 3.7Å; I48-L140 HydrophobicContact CB-CD2 4.04Å; I48-L140 HydrophobicContact CB-CG 4.34Å; I48-L140 HydrophobicContact CD1-CB 4.32Å; I48-L140 HydrophobicContact CD1-CD2 4.21Å; I48-L140 HydrophobicContact CD1-CG 4.17Å; I48-L140 HydrophobicContact CG2-CD2 4.05Å; I48-L140 HydrophobicContact CG2-CG 3.9Å; I48-F141 VanDerWaalsContact CD1-CA 3.47Å; I48-F141 HydrophobicContact CD1-CB 3.72Å; I48-F141 HydrophobicContact CD1-CD2 4.45Å; I48-F144 HydrophobicContact CG2-CB 3.96Å; I48-F144 HydrophobicContact CG2-CD2 3.48Å; I48-F144 VanDerWaalsContact CG2-CD2 3.48Å; I48-F144 HydrophobicContact CG2-CE2 4.25Å; I48-F144 HydrophobicContact CG2-CG 3.9Å |
| 49 | Y | 97.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.012 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 177.8 | -82.6 | -63.6 | 0 | 0 | 0 | 112.4 | R45 L52 L140 P266 Y334 W402 S405 L406 | R45-Y49 HydrophobicContact CG-CD2 3.63Å; R45-Y49 HydrophobicContact CG-CE2 3.69Å; R45-Y49 WeakPolarHBondContact O-CD2 2.95Å; R45-Y49 PolarHBondContact O-N 3.01Å; Y49-L52 HydrophobicContact CD1-CD1 3.95Å; Y49-L52 PolarHBondContact O-N 3.3Å; Y49-L140 HydrophobicContact CD2-CD2 3.72Å; Y49-L140 HydrophobicContact CE1-CD1 4.49Å; Y49-L140 HydrophobicContact CE2-CD1 4.37Å; Y49-L140 HydrophobicContact CE2-CD2 3.43Å; Y49-L140 VanDerWaalsContact CE2-CD2 3.43Å; Y49-L140 HydrophobicContact CG-CD2 4.44Å; Y49-P266 HydrophobicContact CE1-CG 4.24Å; Y49-Y334 VanDerWaalsContact CE1-OH 3.24Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.14Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.27Å; Y49-Y334 PolarHBondContact OH-OH 2.8Å; Y49-W402 AromaticContact CD1-CD1 3.84Å; Y49-W402 AromaticContact CD1-NE1 3.42Å; Y49-W402 AromaticContact CD2-CD2 3.96Å; Y49-W402 HydrophobicContact CD2-CD2 3.96Å; Y49-W402 AromaticContact CD2-CE2 3.55Å; Y49-W402 HydrophobicContact CD2-CG 4.23Å; Y49-W402 AromaticContact CD2-CZ2 3.88Å; Y49-W402 HydrophobicContact CD2-CZ2 3.88Å; Y49-W402 AromaticContact CD2-NE1 3.58Å; Y49-W402 AromaticContact CE1-NE1 3.81Å; Y49-W402 AromaticContact CE2-CE2 3.74Å; Y49-W402 HydrophobicContact CE2-CH2 4.25Å; Y49-W402 AromaticContact CE2-CZ2 3.59Å; Y49-W402 HydrophobicContact CE2-CZ2 3.59Å; Y49-W402 AromaticContact CE2-NE1 3.95Å; Y49-W402 AromaticContact CG-CD1 3.48Å; Y49-W402 VanDerWaalsContact CG-CD1 3.48Å; Y49-W402 HydrophobicContact CG-CD2 4.22Å; Y49-W402 AromaticContact CG-CE2 3.8Å; Y49-W402 HydrophobicContact CG-CG 4.04Å; Y49-W402 HydrophobicContact CG-CZ2 4.48Å; Y49-W402 AromaticContact CG-NE1 3.31Å; Y49-W402 VanDerWaalsContact CG-NE1 3.31Å; Y49-W402 AromaticContact CZ-CZ2 3.96Å; Y49-S405 VanDerWaalsContact O-CB 3.23Å; Y49-S405 WeakPolarHBondContact O-CB 3.5Å; Y49-S405 PolarHBondContact O-OG 3.19Å; Y49-L406 HydrophobicContact CD1-CD2 4.4Å |
| 50 | S | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.9 | -33.8 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | L33 D46 N47 I48 L52 L401 S405 | L33-S50 VanDerWaalsContact CD1-CB 3.5Å; D46-S50 WeakPolarHBondContact O-CB 3.36Å; D46-S50 PolarHBondContact O-N 3.15Å; D46-S50 PolarHBondContact O-OG 3.29Å; N47-S50 PolarHBondContact O-N 2.92Å; I48-S50 VanDerWaalsContact C-N 3.29Å; I48-S50 PolarHBondContact O-N 2.94Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 3.49Å; S50-L401 WeakPolarHBondContact OG-CB 3.23Å; S50-S405 WeakPolarHBondContact O-CB 3.29Å; S50-S405 PolarHBondContact O-OG 2.88Å |
| 51 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -76.1 | -15.3 | 179.7 | -153.8 | 66.2 | 0 | 0 | 0 | 113 | N47 I48 A53 V54 W55 V81 L84 M148 | N47-I51 PolarHBondContact O-N 3.49Å; I48-I51 WeakPolarHBondContact O-CG2 2.96Å; I48-I51 PolarHBondContact O-N 2.74Å; I51-A53 VanDerWaalsContact C-N 3.3Å; I51-A53 PolarHBondContact O-N 3.49Å; I51-V54 HydrophobicContact CD1-CB 3.83Å; I51-V54 HydrophobicContact CD1-CG1 4.2Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CB 4.28Å; I51-V54 WeakPolarHBondContact O-CA 3.45Å; I51-V54 WeakPolarHBondContact O-CB 3.47Å; I51-V54 PolarHBondContact O-N 3.3Å; I51-W55 PolarHBondContact O-N 2.94Å; I51-V81 HydrophobicContact CD1-CG2 4.2Å; I51-V81 HydrophobicContact CG1-CB 4.04Å; I51-V81 HydrophobicContact CG1-CG1 3.99Å; I51-V81 HydrophobicContact CG1-CG2 3.77Å; I51-V81 HydrophobicContact CG2-CG1 4.44Å; I51-L84 HydrophobicContact CB-CD1 4.05Å; I51-L84 HydrophobicContact CB-CD2 4.23Å; I51-L84 HydrophobicContact CD1-CB 4.31Å; I51-L84 HydrophobicContact CD1-CD1 3.99Å; I51-L84 HydrophobicContact CG1-CB 4.34Å; I51-L84 HydrophobicContact CG1-CD1 4.18Å; I51-L84 HydrophobicContact CG2-CD2 4.08Å; I51-M148 HydrophobicContact CG2-CE 3.98Å |
| 52 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.1 | -36.4 | -180 | -58 | -173.9 | 0 | 0 | 0 | 113.3 | I48 Y49 S50 V54 W55 G56 F144 M148 F265 L406 L409 | I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3Å; Y49-L52 HydrophobicContact CD1-CD1 3.95Å; Y49-L52 PolarHBondContact O-N 3.3Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 3.49Å; L52-V54 VanDerWaalsContact C-N 3.32Å; L52-V54 PolarHBondContact O-N 3.32Å; L52-W55 HydrophobicContact CD2-CE3 4.19Å; L52-W55 PolarHBondContact O-N 2.96Å; L52-G56 PolarHBondContact O-N 3.02Å; L52-F144 HydrophobicContact CD1-CE1 3.99Å; L52-F144 HydrophobicContact CD1-CE2 3.96Å; L52-F144 HydrophobicContact CD1-CZ 3.44Å; L52-F144 VanDerWaalsContact CD1-CZ 3.44Å; L52-F144 HydrophobicContact CD2-CD1 3.5Å; L52-F144 VanDerWaalsContact CD2-CD1 3.5Å; L52-F144 HydrophobicContact CD2-CD2 4.28Å; L52-F144 HydrophobicContact CD2-CE1 3.26Å; L52-F144 HydrophobicContact CD2-CE2 4.06Å; L52-F144 HydrophobicContact CD2-CG 4.01Å; L52-F144 HydrophobicContact CD2-CZ 3.55Å; L52-F144 HydrophobicContact CG-CE1 4.27Å; L52-F144 HydrophobicContact CG-CZ 4.14Å; L52-M148 HydrophobicContact CD2-CE 4.07Å; L52-F265 HydrophobicContact CD1-CE1 4.21Å; L52-F265 HydrophobicContact CD1-CZ 4.24Å; L52-L406 HydrophobicContact CD1-CD2 4.37Å; L52-L409 HydrophobicContact CB-CD2 4.18Å |
| 53 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V18 I22 I51 L57 S405 I408 | V18-A53 HydrophobicContact CG2-CB 4.48Å; I22-A53 HydrophobicContact CD1-CB 3.79Å; I51-A53 VanDerWaalsContact C-N 3.3Å; I51-A53 PolarHBondContact O-N 3.49Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 PolarHBondContact O-N 2.71Å; A53-S405 VanDerWaalsContact CB-OG 3.31Å; A53-S405 WeakPolarHBondContact CB-OG 3.43Å; A53-S405 PolarHBondContact N-OG 3.46Å; A53-I408 HydrophobicContact CB-CB 3.94Å; A53-I408 HydrophobicContact CB-CD1 4.38Å; A53-I408 HydrophobicContact CB-CG2 3.96Å |
| 54 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.8 | -45 | 177.3 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | V18 I22 L23 I51 L52 L57 G58 L77 N80 V81 | V18-V54 HydrophobicContact CG1-CG2 3.73Å; I22-V54 HydrophobicContact CG2-CG2 4.19Å; L23-V54 HydrophobicContact CD2-CG1 4.22Å; L23-V54 HydrophobicContact CD2-CG2 3.86Å; L23-V54 HydrophobicContact CG-CG2 4.17Å; I51-V54 HydrophobicContact CD1-CB 3.83Å; I51-V54 HydrophobicContact CD1-CG1 4.2Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CB 4.28Å; I51-V54 WeakPolarHBondContact O-CA 3.45Å; I51-V54 WeakPolarHBondContact O-CB 3.47Å; I51-V54 PolarHBondContact O-N 3.3Å; L52-V54 VanDerWaalsContact C-N 3.32Å; L52-V54 PolarHBondContact O-N 3.32Å; V54-L57 PolarHBondContact O-N 2.95Å; V54-G58 PolarHBondContact O-N 2.62Å; V54-L77 HydrophobicContact CG1-CB 4.14Å; V54-L77 HydrophobicContact CG1-CD2 3.86Å; V54-N80 HydrophobicContact CG1-CB 4.38Å; V54-V81 HydrophobicContact CB-CG2 4.08Å; V54-V81 HydrophobicContact CG1-CG2 3.84Å |
| 55 | W | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -53.8 | 175.2 | 178.6 | 47.8 | 0 | 0 | 0 | 111.3 | I51 L52 L57 G58 M59 V81 F144 Q147 M148 S151 I423 | I51-W55 PolarHBondContact O-N 2.94Å; L52-W55 HydrophobicContact CD2-CE3 4.19Å; L52-W55 PolarHBondContact O-N 2.96Å; W55-L57 VanDerWaalsContact C-N 3.32Å; W55-L57 PolarHBondContact O-N 3.28Å; W55-G58 PolarHBondContact O-N 3.44Å; W55-G58 VanDerWaalsContact O-N 3.1Å; W55-M59 HydrophobicContact CD2-SD 4.28Å; W55-M59 HydrophobicContact CZ2-SD 3.76Å; W55-M59 WeakPolarHBondContact O-CG 3.44Å; W55-M59 PolarHBondContact O-N 3.24Å; W55-V81 HydrophobicContact CB-CG1 4.31Å; W55-V81 HydrophobicContact CB-CG2 3.99Å; W55-F144 HydrophobicContact CZ3-CD1 4.25Å; W55-F144 AromaticContact CZ3-CE1 3.96Å; W55-F144 HydrophobicContact CZ3-CE1 3.96Å; W55-Q147 HydrophobicContact CH2-CB 4.22Å; W55-M148 HydrophobicContact CB-CE 4.3Å; W55-M148 HydrophobicContact CD2-CE 4.23Å; W55-M148 HydrophobicContact CD2-CG 4.19Å; W55-M148 HydrophobicContact CE3-CE 4.35Å; W55-M148 HydrophobicContact CG-CE 4.22Å; W55-M148 HydrophobicContact CG-CG 4.48Å; W55-M148 HydrophobicContact CZ2-CG 4.28Å; W55-S151 PolarHBondContact NE1-OG 3.27Å; W55-I423 HydrophobicContact CH2-CB 4.41Å; W55-I423 WeakPolarHBondContact CH2-O 3.4Å; W55-I423 HydrophobicContact CZ3-CB 4.17Å; W55-I423 HydrophobicContact CZ3-CG2 4.44Å |
| 56 | G | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L52 M59 A60 L418 | L52-G56 PolarHBondContact O-N 3.02Å; G56-M59 PolarHBondContact O-N 3.49Å; G56-A60 WeakPolarHBondContact O-CB 3.34Å; G56-A60 PolarHBondContact O-N 3.47Å; G56-L418 WeakPolarHBondContact O-CD1 3.41Å; G56-L418 WeakPolarHBondContact O-CD2 3.29Å |
| 57 | L | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.9 | -177 | 62.5 | 0 | 0 | 0 | 112.1 | L11 A15 V18 A53 V54 W55 M59 A60 Y61 L77 L412 | L11-L57 HydrophobicContact CD2-CD1 4.04Å; A15-L57 HydrophobicContact CB-CD2 4.02Å; V18-L57 HydrophobicContact CB-CD2 4.25Å; V18-L57 HydrophobicContact CG2-CD2 3.93Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 PolarHBondContact O-N 2.71Å; V54-L57 PolarHBondContact O-N 2.95Å; W55-L57 VanDerWaalsContact C-N 3.32Å; W55-L57 PolarHBondContact O-N 3.28Å; L57-M59 VanDerWaalsContact C-N 3.34Å; L57-M59 PolarHBondContact O-N 3.39Å; L57-A60 PolarHBondContact O-N 2.92Å; L57-Y61 HydrophobicContact CD1-CD2 3.98Å; L57-Y61 HydrophobicContact CD1-CE2 3.72Å; L57-Y61 HydrophobicContact CD2-CE2 4.2Å; L57-Y61 HydrophobicContact CG-CD2 3.92Å; L57-Y61 HydrophobicContact CG-CE2 3.8Å; L57-Y61 VanDerWaalsContact O-CD2 3.3Å; L57-Y61 WeakPolarHBondContact O-CD2 3.31Å; L57-Y61 PolarHBondContact O-N 3.42Å; L57-L77 HydrophobicContact CB-CD1 4.32Å; L57-L77 HydrophobicContact CD2-CD1 3.93Å; L57-L77 HydrophobicContact CD2-CD2 4.5Å; L57-L77 HydrophobicContact CG-CD1 3.81Å; L57-L412 HydrophobicContact CB-CD1 4.24Å; L57-L412 HydrophobicContact CD1-CD1 4.44Å; L57-L412 HydrophobicContact CD1-CD2 4.39Å |
| 58 | G | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V54 W55 A60 Y61 R62 | V54-G58 PolarHBondContact O-N 2.62Å; W55-G58 PolarHBondContact O-N 3.44Å; W55-G58 VanDerWaalsContact O-N 3.1Å; G58-A60 PolarHBondContact O-N 2.92Å; G58-Y61 PolarHBondContact O-N 3.29Å; G58-R62 WeakPolarHBondContact O-CB 3.3Å; G58-R62 PolarHBondContact O-N 3.18Å |
| 59 | M | 95.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 174.6 | -65 | -166.7 | 77.6 | 0 | 0 | 112.6 | W55 G56 L57 Y61 R62 K63 L418 E422 | W55-M59 HydrophobicContact CD2-SD 4.28Å; W55-M59 HydrophobicContact CZ2-SD 3.76Å; W55-M59 WeakPolarHBondContact O-CG 3.44Å; W55-M59 PolarHBondContact O-N 3.24Å; G56-M59 PolarHBondContact O-N 3.49Å; L57-M59 VanDerWaalsContact C-N 3.34Å; L57-M59 PolarHBondContact O-N 3.39Å; M59-Y61 VanDerWaalsContact C-N 3.33Å; M59-Y61 PolarHBondContact O-N 2.93Å; M59-R62 WeakPolarHBondContact O-CB 3.36Å; M59-R62 PolarHBondContact O-N 3.13Å; M59-K63 WeakPolarHBondContact O-CB 3.42Å; M59-K63 PolarHBondContact O-N 3.45Å; M59-L418 HydrophobicContact CB-CD2 3.86Å; M59-E422 HydrophobicContact CE-CB 3.71Å; M59-E422 HydrophobicContact CE-CG 4.35Å; M59-E422 WeakPolarHBondContact CE-O 3.21Å; M59-E422 HydrophobicContact SD-CB 4.38Å |
| 60 | A | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L11 G56 L57 G58 N64 F417 L418 | L11-A60 HydrophobicContact CD2-CB 3.92Å; G56-A60 WeakPolarHBondContact O-CB 3.34Å; G56-A60 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 2.92Å; G58-A60 PolarHBondContact O-N 2.92Å; A60-N64 WeakPolarHBondContact O-CB 3.45Å; A60-N64 PolarHBondContact O-N 3.49Å; A60-N64 PolarHBondContact O-ND2 3.3Å; A60-F417 HydrophobicContact CB-CB 4.29Å; A60-L418 HydrophobicContact CB-CD2 3.95Å; A60-L418 HydrophobicContact CB-CG 4.12Å |
| 61 | Y | 93.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 171.6 | -85.6 | -71.6 | 0 | 0 | 0 | 111.7 | L11 D12 A15 L57 G58 M59 K63 N64 A65 D70 K73 L77 | L11-Y61 HydrophobicContact CB-CD1 4.41Å; L11-Y61 HydrophobicContact CB-CE1 3.78Å; L11-Y61 HydrophobicContact CB-CE2 4.21Å; L11-Y61 HydrophobicContact CD1-CD1 4.15Å; L11-Y61 HydrophobicContact CD1-CE1 4.29Å; L11-Y61 PolarHBondContact O-OH 3.03Å; D12-Y61 WeakPolarHBondContact CA-OH 3.33Å; D12-Y61 PolarHBondContact N-OH 3.2Å; D12-Y61 VanDerWaalsContact N-OH 3.17Å; D12-Y61 PolarHBondContact OD1-OH 3.15Å; A15-Y61 HydrophobicContact CB-CE2 4.24Å; L57-Y61 HydrophobicContact CD1-CD2 3.98Å; L57-Y61 HydrophobicContact CD1-CE2 3.72Å; L57-Y61 HydrophobicContact CD2-CE2 4.2Å; L57-Y61 HydrophobicContact CG-CD2 3.92Å; L57-Y61 HydrophobicContact CG-CE2 3.8Å; L57-Y61 VanDerWaalsContact O-CD2 3.3Å; L57-Y61 WeakPolarHBondContact O-CD2 3.31Å; L57-Y61 PolarHBondContact O-N 3.42Å; G58-Y61 PolarHBondContact O-N 3.29Å; M59-Y61 VanDerWaalsContact C-N 3.33Å; M59-Y61 PolarHBondContact O-N 2.93Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 3.5Å; Y61-N64 CarbonylContact O-C 3.58Å; Y61-N64 PolarHBondContact O-N 3.17Å; Y61-A65 WeakPolarHBondContact O-CA 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.3Å; Y61-A65 PolarHBondContact O-N 3.29Å; Y61-D70 HydrophobicContact CD1-CB 4.12Å; Y61-K73 HydrophobicContact CE1-CD 4.15Å; Y61-L77 HydrophobicContact CD2-CD1 3.74Å; Y61-L77 HydrophobicContact CE2-CD1 4.03Å |
| 62 | R | 90.4 | Very high | 90.2 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.4 | -42.1 | 178.8 | -168.9 | -167.1 | -70.3 | -176.5 | -9.4 | 111.8 | G58 M59 A74 E78 S151 | G58-R62 WeakPolarHBondContact O-CB 3.3Å; G58-R62 PolarHBondContact O-N 3.18Å; M59-R62 WeakPolarHBondContact O-CB 3.36Å; M59-R62 PolarHBondContact O-N 3.13Å; R62-A74 HydrophobicContact CB-CB 4.38Å; R62-E78 IonicContact CZ-OE1 3.28Å; R62-E78 IonicContact CZ-OE2 2.95Å; R62-E78 IonicContact NE-OE1 2.62Å; R62-E78 PolarHBondContact NE-OE1 3.2Å; R62-E78 IonicContact NE-OE2 3.61Å; R62-E78 IonicContact NH2-OE1 3.69Å; R62-E78 PolarHBondContact NH2-OE1 3Å; R62-E78 IonicContact NH2-OE2 3.21Å; R62-E78 PolarHBondContact NH2-OE2 3.01Å; R62-S151 PolarHBondContact NH1-O 3.17Å |
| 63 | K | 87.3 | Confident | 90 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.6 | -42.4 | 178.8 | -172.9 | -165.9 | -159.1 | 161.4 | 0 | 113.5 | M59 Y61 E422 | M59-K63 WeakPolarHBondContact O-CB 3.42Å; M59-K63 PolarHBondContact O-N 3.45Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 3.5Å; K63-E422 VanDerWaalsContact CD-OE1 3.22Å; K63-E422 WeakPolarHBondContact CD-OE1 3.37Å; K63-E422 WeakPolarHBondContact CE-OE1 3.43Å; K63-E422 IonicContact NZ-OE1 3.82Å; K63-E422 PolarHBondContact NZ-OE1 2.93Å; K63-E422 IonicContact NZ-OE2 3.64Å; K63-E422 PolarHBondContact NZ-OE2 2.67Å |
| 64 | N | 83.4 | Confident | 89.8 | Confident | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -102.7 | 17.6 | -172.2 | -60.3 | -74.7 | 0 | 0 | 0 | 113 | L11 A60 Y61 D66 F417 | L11-N64 HydrophobicContact CD1-CB 4.06Å; A60-N64 WeakPolarHBondContact O-CB 3.45Å; A60-N64 PolarHBondContact O-N 3.49Å; A60-N64 PolarHBondContact O-ND2 3.3Å; Y61-N64 CarbonylContact O-C 3.58Å; Y61-N64 PolarHBondContact O-N 3.17Å; N64-D66 PolarHBondContact O-N 3.16Å; N64-D66 VanDerWaalsContact O-N 3.1Å; N64-F417 PolarHBondContact ND2-O 2.97Å |
| 65 | A | 77.8 | Confident | 89.6 | Confident | 26 Ų | 26 | 54 Ų | 54 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | trans | -70.8 | 105.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y61 D70 K71 | Y61-A65 WeakPolarHBondContact O-CA 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.3Å; Y61-A65 PolarHBondContact O-N 3.29Å; A65-D70 HydrophobicContact CB-CB 3.99Å; A65-K71 HydrophobicContact CB-CG 3.71Å | ||
| 66 | D | 76.1 | Confident | 89.5 | Confident | 108 Ų | 108 | 59.6 Ų | 59.6 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | trans | -89.1 | -19.7 | 174.8 | -66.9 | -34.6 | 0 | 0 | 0 | 112.3 | S5 N64 | S5-D66 VanDerWaalsContact CB-OD2 3.29Å; S5-D66 WeakPolarHBondContact CB-OD2 3.47Å; S5-D66 PolarHBondContact OG-OD2 2.85Å; N64-D66 PolarHBondContact O-N 3.16Å; N64-D66 VanDerWaalsContact O-N 3.1Å | ||
| 67 | R | 80.8 | Confident | 89.5 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -133.5 | 157.8 | -174.7 | -60.2 | -177.5 | 178.7 | -170.4 | -1.4 | 111.6 | R2 E69 D70 K71 | R2-R67 PolarHBondContact O-NH2 2.92Å; R67-E69 HydrophobicContact CB-CB 4.49Å; R67-E69 PolarHBondContact O-N 3.03Å; R67-D70 PolarHBondContact N-OD2 2.9Å; R67-D70 WeakPolarHBondContact O-CB 3.36Å; R67-D70 PolarHBondContact O-N 3.37Å; R67-K71 PolarHBondContact O-N 3.21Å |
| 68 | D | 82.3 | Confident | 89.5 | Confident | 125 Ų | 125 | 61.3 Ų | 61.3 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.9 | -29.3 | 173.9 | -64.2 | -30.6 | 0 | 0 | 0 | 112.3 | D70 K71 A72 | D68-D70 VanDerWaalsContact C-N 3.31Å; D68-D70 PolarHBondContact O-N 3.45Å; D68-K71 PolarHBondContact O-N 3.14Å; D68-K71 IonicContact OD1-NZ 3.94Å; D68-A72 WeakPolarHBondContact O-CB 3.46Å; D68-A72 PolarHBondContact O-N 3.02Å |
| 69 | E | 84.9 | Confident | 89.5 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 170.9 | -68 | 176 | -177.6 | 0 | 0 | 112.4 | R67 A72 K73 | R67-E69 HydrophobicContact CB-CB 4.49Å; R67-E69 PolarHBondContact O-N 3.03Å; E69-A72 PolarHBondContact O-N 3.4Å; E69-K73 WeakPolarHBondContact O-CG 3.47Å; E69-K73 PolarHBondContact O-N 3.25Å |
| 70 | D | 86.4 | Confident | 89.6 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.4 | -36 | 180 | -61.6 | -44.3 | 0 | 0 | 0 | 110.6 | R4 Y61 A65 R67 D68 K73 A74 | R4-D70 IonicContact CZ-OD1 3.32Å; R4-D70 IonicContact NE-OD1 3.14Å; R4-D70 IonicContact NH2-OD1 3.27Å; R4-D70 PolarHBondContact NH2-OD1 3.31Å; Y61-D70 HydrophobicContact CD1-CB 4.12Å; A65-D70 HydrophobicContact CB-CB 3.99Å; R67-D70 PolarHBondContact N-OD2 2.9Å; R67-D70 WeakPolarHBondContact O-CB 3.36Å; R67-D70 PolarHBondContact O-N 3.37Å; D68-D70 VanDerWaalsContact C-N 3.31Å; D68-D70 PolarHBondContact O-N 3.45Å; D70-K73 PolarHBondContact O-N 3.08Å; D70-A74 PolarHBondContact O-N 3.45Å |
| 71 | K | 88.1 | Confident | 89.8 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 172.2 | -63.3 | 179.7 | -176.2 | 164.2 | 0 | 112.2 | A65 R67 D68 A74 Y75 | A65-K71 HydrophobicContact CB-CG 3.71Å; R67-K71 PolarHBondContact O-N 3.21Å; D68-K71 PolarHBondContact O-N 3.14Å; D68-K71 IonicContact OD1-NZ 3.94Å; K71-A74 WeakPolarHBondContact O-CB 3.44Å; K71-A74 PolarHBondContact O-N 3.37Å; K71-Y75 PolarHBondContact O-N 2.97Å |
| 72 | A | 91.3 | Very high | 90 | Very high | 59 Ų | 59 | 66 Ų | 66 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D68 E69 Y75 E76 | D68-A72 WeakPolarHBondContact O-CB 3.46Å; D68-A72 PolarHBondContact O-N 3.02Å; E69-A72 PolarHBondContact O-N 3.4Å; A72-Y75 PolarHBondContact O-N 2.99Å; A72-E76 PolarHBondContact O-N 3.01Å |
| 73 | K | 92.3 | Very high | 90.4 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 173.2 | -74.7 | 173.4 | 178.1 | 171.4 | 0 | 112.4 | R4 D12 Y61 E69 D70 Y75 E76 L77 | R4-K73 VanDerWaalsContact NH2-NZ 3.18Å; D12-K73 IonicContact OD1-NZ 3.75Å; D12-K73 PolarHBondContact OD1-NZ 2.89Å; Y61-K73 HydrophobicContact CE1-CD 4.15Å; E69-K73 WeakPolarHBondContact O-CG 3.47Å; E69-K73 PolarHBondContact O-N 3.25Å; D70-K73 PolarHBondContact O-N 3.08Å; K73-Y75 VanDerWaalsContact C-N 3.32Å; K73-Y75 PolarHBondContact O-N 3.13Å; K73-E76 PolarHBondContact O-N 3.05Å; K73-L77 VanDerWaalsContact O-CG 3.31Å; K73-L77 WeakPolarHBondContact O-CG 3.45Å; K73-L77 PolarHBondContact O-N 3.19Å |
| 74 | A | 94.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.2 | -49.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R62 D70 K71 E76 L77 E78 | R62-A74 HydrophobicContact CB-CB 4.38Å; D70-A74 PolarHBondContact O-N 3.45Å; K71-A74 WeakPolarHBondContact O-CB 3.44Å; K71-A74 PolarHBondContact O-N 3.37Å; A74-E76 PolarHBondContact O-N 2.98Å; A74-L77 PolarHBondContact O-N 3.48Å; A74-E78 WeakPolarHBondContact O-CB 3.39Å; A74-E78 WeakPolarHBondContact O-CG 3.42Å; A74-E78 PolarHBondContact O-N 2.83Å |
| 75 | Y | 94.4 | Very high | 91.6 | Very high | 146 Ų | 146 | 58 Ų | 58 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 178.6 | -178.2 | -100.4 | 0 | 0 | 0 | 112.5 | K71 A72 K73 L77 E78 Q79 | K71-Y75 PolarHBondContact O-N 2.97Å; A72-Y75 PolarHBondContact O-N 2.99Å; K73-Y75 VanDerWaalsContact C-N 3.32Å; K73-Y75 PolarHBondContact O-N 3.13Å; Y75-L77 PolarHBondContact O-N 3.45Å; Y75-E78 PolarHBondContact O-N 3.35Å; Y75-Q79 HydrophobicContact CD1-CG 4.07Å; Y75-Q79 HydrophobicContact CE1-CG 3.64Å; Y75-Q79 HydrophobicContact CE2-CG 4.12Å; Y75-Q79 HydrophobicContact CG-CG 4.49Å; Y75-Q79 WeakPolarHBondContact O-CG 3.42Å; Y75-Q79 PolarHBondContact O-N 3.32Å |
| 76 | E | 95.7 | Very high | 92.6 | Very high | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 177.6 | -173.7 | -177.5 | 174.5 | 0 | 0 | 112.1 | A72 K73 A74 E78 Q79 N80 | A72-E76 PolarHBondContact O-N 3.01Å; K73-E76 PolarHBondContact O-N 3.05Å; A74-E76 PolarHBondContact O-N 2.98Å; E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 2.89Å; E76-Q79 PolarHBondContact O-N 3.47Å; E76-N80 PolarHBondContact O-N 2.86Å; E76-N80 PolarHBondContact O-ND2 3.14Å |
| 77 | L | 97.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.4 | -68.4 | 168.3 | 0 | 0 | 0 | 111.4 | L23 V54 L57 Y61 K73 A74 Y75 Q79 N80 V81 | L23-L77 HydrophobicContact CD1-CD2 4.1Å; V54-L77 HydrophobicContact CG1-CB 4.14Å; V54-L77 HydrophobicContact CG1-CD2 3.86Å; L57-L77 HydrophobicContact CB-CD1 4.32Å; L57-L77 HydrophobicContact CD2-CD1 3.93Å; L57-L77 HydrophobicContact CD2-CD2 4.5Å; L57-L77 HydrophobicContact CG-CD1 3.81Å; Y61-L77 HydrophobicContact CD2-CD1 3.74Å; Y61-L77 HydrophobicContact CE2-CD1 4.03Å; K73-L77 VanDerWaalsContact O-CG 3.31Å; K73-L77 WeakPolarHBondContact O-CG 3.45Å; K73-L77 PolarHBondContact O-N 3.19Å; A74-L77 PolarHBondContact O-N 3.48Å; Y75-L77 PolarHBondContact O-N 3.45Å; L77-Q79 PolarHBondContact O-N 2.79Å; L77-N80 WeakPolarHBondContact O-CB 3.4Å; L77-N80 PolarHBondContact O-N 2.98Å; L77-V81 VanDerWaalsContact O-CG2 3.28Å; L77-V81 WeakPolarHBondContact O-CG2 3.34Å; L77-V81 PolarHBondContact O-N 3.42Å; L77-V81 VanDerWaalsContact O-N 3.13Å |
| 78 | E | 96.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 176.8 | -71.6 | 171.6 | -164.3 | 0 | 0 | 112.3 | R62 A74 Y75 E76 N80 V81 V82 L153 | R62-E78 IonicContact CZ-OE1 3.28Å; R62-E78 IonicContact CZ-OE2 2.95Å; R62-E78 IonicContact NE-OE1 2.62Å; R62-E78 PolarHBondContact NE-OE1 3.2Å; R62-E78 IonicContact NE-OE2 3.61Å; R62-E78 IonicContact NH2-OE1 3.69Å; R62-E78 PolarHBondContact NH2-OE1 3Å; R62-E78 IonicContact NH2-OE2 3.21Å; R62-E78 PolarHBondContact NH2-OE2 3.01Å; A74-E78 WeakPolarHBondContact O-CB 3.39Å; A74-E78 WeakPolarHBondContact O-CG 3.42Å; A74-E78 PolarHBondContact O-N 2.83Å; Y75-E78 PolarHBondContact O-N 3.35Å; E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 2.89Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 2.88Å; E78-V81 WeakPolarHBondContact O-CB 3.31Å; E78-V81 PolarHBondContact O-N 2.63Å; E78-V81 VanDerWaalsContact O-N 3.15Å; E78-V82 WeakPolarHBondContact O-CG2 3.3Å; E78-V82 PolarHBondContact O-N 2.99Å; E78-L153 HydrophobicContact CB-CD2 3.8Å; E78-L153 HydrophobicContact CG-CD2 3.9Å |
| 79 | Q | 96.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 35% | 0.346 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.1 | -34.9 | 174.9 | -68.5 | -47.6 | -57.2 | 0 | 0 | 112.2 | Y75 E76 L77 V81 V82 K83 | Y75-Q79 HydrophobicContact CD1-CG 4.07Å; Y75-Q79 HydrophobicContact CE1-CG 3.64Å; Y75-Q79 HydrophobicContact CE2-CG 4.12Å; Y75-Q79 HydrophobicContact CG-CG 4.49Å; Y75-Q79 WeakPolarHBondContact O-CG 3.42Å; Y75-Q79 PolarHBondContact O-N 3.32Å; E76-Q79 PolarHBondContact O-N 3.47Å; L77-Q79 PolarHBondContact O-N 2.79Å; Q79-V81 VanDerWaalsContact C-N 3.27Å; Q79-V81 PolarHBondContact O-N 2.67Å; Q79-V82 PolarHBondContact O-N 2.74Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 2.99Å |
| 80 | N | 97.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -36.3 | 172.1 | -71.8 | -35.4 | 0 | 0 | 0 | 111.8 | L23 Q26 V54 E76 L77 E78 L84 | L23-N80 HydrophobicContact CD2-CB 4.18Å; Q26-N80 PolarHBondContact NE2-O 3.22Å; V54-N80 HydrophobicContact CG1-CB 4.38Å; E76-N80 PolarHBondContact O-N 2.86Å; E76-N80 PolarHBondContact O-ND2 3.14Å; L77-N80 WeakPolarHBondContact O-CB 3.4Å; L77-N80 PolarHBondContact O-N 2.98Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 2.88Å; N80-L84 PolarHBondContact O-N 3.16Å |
| 81 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -50.9 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | I51 V54 W55 L77 E78 Q79 K83 L84 M85 M148 L153 | I51-V81 HydrophobicContact CD1-CG2 4.2Å; I51-V81 HydrophobicContact CG1-CB 4.04Å; I51-V81 HydrophobicContact CG1-CG1 3.99Å; I51-V81 HydrophobicContact CG1-CG2 3.77Å; I51-V81 HydrophobicContact CG2-CG1 4.44Å; V54-V81 HydrophobicContact CB-CG2 4.08Å; V54-V81 HydrophobicContact CG1-CG2 3.84Å; W55-V81 HydrophobicContact CB-CG1 4.31Å; W55-V81 HydrophobicContact CB-CG2 3.99Å; L77-V81 VanDerWaalsContact O-CG2 3.28Å; L77-V81 WeakPolarHBondContact O-CG2 3.34Å; L77-V81 PolarHBondContact O-N 3.42Å; L77-V81 VanDerWaalsContact O-N 3.13Å; E78-V81 WeakPolarHBondContact O-CB 3.31Å; E78-V81 PolarHBondContact O-N 2.63Å; E78-V81 VanDerWaalsContact O-N 3.15Å; Q79-V81 VanDerWaalsContact C-N 3.27Å; Q79-V81 PolarHBondContact O-N 2.67Å; V81-K83 PolarHBondContact O-N 3.42Å; V81-L84 PolarHBondContact O-N 2.95Å; V81-M85 HydrophobicContact CG1-CG 4.5Å; V81-M85 PolarHBondContact O-N 3.35Å; V81-M148 HydrophobicContact CG1-CE 3.71Å; V81-M148 HydrophobicContact CG1-SD 3.52Å; V81-M148 VanDerWaalsContact CG1-SD 3.52Å; V81-L153 HydrophobicContact CB-CD1 4.34Å; V81-L153 HydrophobicContact CG1-CD1 4.01Å |
| 82 | V | 98 | Very high | 96.8 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56 | -43.4 | 177.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | E78 Q79 M85 R86 L153 I155 | E78-V82 WeakPolarHBondContact O-CG2 3.3Å; E78-V82 PolarHBondContact O-N 2.99Å; Q79-V82 PolarHBondContact O-N 2.74Å; V82-M85 PolarHBondContact O-N 3.5Å; V82-R86 HydrophobicContact CG1-CG 4.3Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 VanDerWaalsContact O-CG 3.3Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 2.88Å; V82-L153 HydrophobicContact CG2-CB 4.27Å; V82-L153 HydrophobicContact CG2-CD2 4.43Å; V82-I155 HydrophobicContact CG2-CG1 4.39Å |
| 83 | K | 97.8 | Very high | 97.1 | Very high | 80 Ų | 80 | 37.2 Ų | 37.2 | 35% | 0.348 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 179.8 | -164.9 | 177 | -174.6 | 157.5 | 0 | 112.6 | P28 V29 Q79 V81 R86 G87 | P28-K83 VanDerWaalsContact O-CE 3.3Å; P28-K83 WeakPolarHBondContact O-CE 3.33Å; P28-K83 PolarHBondContact O-NZ 3.09Å; V29-K83 WeakPolarHBondContact O-CE 3.43Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 2.99Å; V81-K83 PolarHBondContact O-N 3.42Å; K83-R86 PolarHBondContact O-N 3.13Å; K83-G87 PolarHBondContact O-N 2.62Å |
| 84 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.6 | -177.5 | 146.9 | 0 | 0 | 0 | 111.8 | G31 L33 N47 I51 N80 V81 R86 G87 L88 | G31-L84 WeakPolarHBondContact O-CA 3.44Å; G31-L84 VanDerWaalsContact O-CB 3.23Å; G31-L84 WeakPolarHBondContact O-CB 3.46Å; G31-L84 WeakPolarHBondContact O-CD1 3.36Å; G31-L84 WeakPolarHBondContact O-CG 3.33Å; L33-L84 HydrophobicContact CB-CD1 4.47Å; L33-L84 HydrophobicContact CD1-CD1 3.54Å; L33-L84 HydrophobicContact CG-CD1 3.68Å; N47-L84 HydrophobicContact CB-CD1 4.25Å; N47-L84 HydrophobicContact CB-CD2 4.2Å; I51-L84 HydrophobicContact CB-CD1 4.05Å; I51-L84 HydrophobicContact CB-CD2 4.23Å; I51-L84 HydrophobicContact CD1-CB 4.31Å; I51-L84 HydrophobicContact CD1-CD1 3.99Å; I51-L84 HydrophobicContact CG1-CB 4.34Å; I51-L84 HydrophobicContact CG1-CD1 4.18Å; I51-L84 HydrophobicContact CG2-CD2 4.08Å; N80-L84 PolarHBondContact O-N 3.16Å; V81-L84 PolarHBondContact O-N 2.95Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.24Å; L84-G87 WeakPolarHBondContact O-CA 3.38Å; L84-G87 PolarHBondContact O-N 3.37Å; L84-G87 VanDerWaalsContact O-N 3.08Å; L84-L88 HydrophobicContact CD2-CD1 3.85Å; L84-L88 HydrophobicContact CD2-CG 4.36Å; L84-L88 PolarHBondContact O-N 2.7Å |
| 85 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | -179.6 | -68.6 | -61.1 | -72.7 | 0 | 0 | 111.5 | I48 V81 V82 L88 L89 F141 F144 L145 M148 I155 | I48-M85 HydrophobicContact CG1-SD 4.42Å; V81-M85 HydrophobicContact CG1-CG 4.5Å; V81-M85 PolarHBondContact O-N 3.35Å; V82-M85 PolarHBondContact O-N 3.5Å; M85-L88 PolarHBondContact O-N 3.38Å; M85-L89 PolarHBondContact O-N 3.13Å; M85-F141 HydrophobicContact CE-CD2 3.61Å; M85-F141 HydrophobicContact CE-CE2 3.6Å; M85-F141 HydrophobicContact SD-CD2 4.36Å; M85-F141 HydrophobicContact SD-CE2 4.37Å; M85-F144 HydrophobicContact CE-CB 4.45Å; M85-L145 HydrophobicContact CE-CB 4.3Å; M85-M148 HydrophobicContact CE-SD 4.37Å; M85-M148 HydrophobicContact CG-SD 3.8Å; M85-M148 HydrophobicContact SD-SD 4.22Å; M85-I155 HydrophobicContact CB-CD1 4.1Å; M85-I155 HydrophobicContact CB-CG1 4.47Å; M85-I155 HydrophobicContact CB-CG2 3.92Å; M85-I155 HydrophobicContact CG-CD1 4.16Å |
| 86 | R | 97.9 | Very high | 97.5 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68 | -35.1 | 172.8 | -72.2 | -170.5 | 63.1 | 71.8 | 6.5 | 113 | V82 K83 L84 L89 Q90 I155 F157 E161 | V82-R86 HydrophobicContact CG1-CG 4.3Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 VanDerWaalsContact O-CG 3.3Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 2.88Å; K83-R86 PolarHBondContact O-N 3.13Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.24Å; R86-L89 PolarHBondContact O-N 3.17Å; R86-Q90 WeakPolarHBondContact O-CB 3.29Å; R86-Q90 PolarHBondContact O-N 3.07Å; R86-I155 HydrophobicContact CG-CG2 4.15Å; R86-I155 WeakPolarHBondContact CG-O 3.15Å; R86-I155 PolarHBondContact NH1-O 3.3Å; R86-F157 VanDerWaalsContact CD-CE2 3.49Å; R86-E161 IonicContact CZ-OE1 3.48Å; R86-E161 IonicContact NH1-OE1 3.27Å; R86-E161 PolarHBondContact NH1-OE1 2.81Å; R86-E161 IonicContact NH1-OE2 3.56Å; R86-E161 IonicContact NH2-OE1 3.47Å; R86-E161 PolarHBondContact NH2-OE1 2.86Å |
| 87 | G | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | T30 K83 L84 Q90 C91 | T30-G87 WeakPolarHBondContact O-CA 3.5Å; K83-G87 PolarHBondContact O-N 2.62Å; L84-G87 WeakPolarHBondContact O-CA 3.38Å; L84-G87 PolarHBondContact O-N 3.37Å; L84-G87 VanDerWaalsContact O-N 3.08Å; G87-Q90 PolarHBondContact O-N 3.29Å; G87-C91 PolarHBondContact O-N 3.13Å; G87-C91 PolarHBondContact O-SG 3.13Å |
| 88 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.2 | -68 | 176.9 | 0 | 0 | 0 | 112.2 | L32 V44 N47 I48 L84 M85 Q90 C91 M92 F141 | L32-L88 HydrophobicContact CD2-CD2 3.62Å; L32-L88 HydrophobicContact CD2-CG 3.91Å; V44-L88 HydrophobicContact CG2-CD2 4.23Å; N47-L88 HydrophobicContact CB-CD1 4.18Å; N47-L88 HydrophobicContact CB-CD2 4.33Å; I48-L88 HydrophobicContact CD1-CD1 4.23Å; I48-L88 HydrophobicContact CG1-CD1 3.7Å; L84-L88 HydrophobicContact CD2-CD1 3.85Å; L84-L88 HydrophobicContact CD2-CG 4.36Å; L84-L88 PolarHBondContact O-N 2.7Å; M85-L88 PolarHBondContact O-N 3.38Å; L88-Q90 VanDerWaalsContact C-N 3.28Å; L88-Q90 PolarHBondContact O-N 3.47Å; L88-C91 WeakPolarHBondContact O-CB 3.4Å; L88-C91 PolarHBondContact O-N 3.04Å; L88-C91 VanDerWaalsContact O-N 3.14Å; L88-M92 WeakPolarHBondContact O-CG 3.2Å; L88-M92 PolarHBondContact O-N 3.16Å; L88-F141 HydrophobicContact CB-CD2 4.14Å; L88-F141 HydrophobicContact CB-CE2 3.96Å; L88-F141 HydrophobicContact CD1-CD2 4.2Å |
| 89 | L | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56 | -45.3 | 173.9 | 178.5 | 61.3 | 0 | 0 | 0 | 111.1 | M85 R86 C91 M92 M93 F141 I156 E161 F164 I165 | M85-L89 PolarHBondContact O-N 3.13Å; R86-L89 PolarHBondContact O-N 3.17Å; L89-C91 VanDerWaalsContact C-N 3.35Å; L89-C91 PolarHBondContact O-N 3.29Å; L89-M92 PolarHBondContact O-N 3.47Å; L89-M93 HydrophobicContact CD1-CG 4Å; L89-M93 HydrophobicContact CD1-SD 4.02Å; L89-M93 HydrophobicContact CD2-SD 4.36Å; L89-M93 HydrophobicContact CG-CG 4.26Å; L89-M93 HydrophobicContact CG-SD 3.85Å; L89-M93 WeakPolarHBondContact O-CB 3.1Å; L89-M93 WeakPolarHBondContact O-CG 3.45Å; L89-M93 PolarHBondContact O-N 2.96Å; L89-F141 HydrophobicContact CB-CZ 4.11Å; L89-F141 HydrophobicContact CD1-CZ 4.46Å; L89-I156 HydrophobicContact CD2-CD1 3.62Å; L89-E161 HydrophobicContact CD2-CG 4.14Å; L89-F164 HydrophobicContact CD1-CD1 3.77Å; L89-F164 HydrophobicContact CD1-CE1 3.95Å; L89-I165 HydrophobicContact CD1-CD1 3.89Å |
| 90 | Q | 97.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 32.4 Ų | 32.4 | 41% | 0.411 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.7 | -171 | -179.5 | 10.6 | 0 | 0 | 112.2 | R86 G87 L88 M92 R94 | R86-Q90 WeakPolarHBondContact O-CB 3.29Å; R86-Q90 PolarHBondContact O-N 3.07Å; G87-Q90 PolarHBondContact O-N 3.29Å; L88-Q90 VanDerWaalsContact C-N 3.28Å; L88-Q90 PolarHBondContact O-N 3.47Å; Q90-M92 VanDerWaalsContact C-N 3.34Å; Q90-R94 VanDerWaalsContact O-CG 3.28Å; Q90-R94 WeakPolarHBondContact O-CG 3.47Å; Q90-R94 PolarHBondContact O-N 2.74Å; Q90-R94 VanDerWaalsContact O-N 3.15Å |
| 91 | C | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 173.5 | -67.3 | 0 | 0 | 0 | 0 | 112 | G87 L88 L89 Q95 Y116 C121 | G87-C91 PolarHBondContact O-N 3.13Å; G87-C91 PolarHBondContact O-SG 3.13Å; L88-C91 WeakPolarHBondContact O-CB 3.4Å; L88-C91 PolarHBondContact O-N 3.04Å; L88-C91 VanDerWaalsContact O-N 3.14Å; L89-C91 VanDerWaalsContact C-N 3.35Å; L89-C91 PolarHBondContact O-N 3.29Å; C91-Q95 PolarHBondContact O-NE2 2.95Å; C91-Y116 HydrophobicContact CB-CD1 3.64Å; C91-Y116 HydrophobicContact CB-CD2 3.69Å; C91-Y116 HydrophobicContact CB-CE1 3.67Å; C91-Y116 HydrophobicContact CB-CE2 3.73Å; C91-Y116 HydrophobicContact CB-CG 3.63Å; C91-Y116 VanDerWaalsContact SG-CG 3.6Å; C91-C121 WeakPolarHBondContact SG-CB 3.47Å |
| 92 | M | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.7 | -43.8 | -179.7 | -65.4 | 179 | 179.2 | 0 | 0 | 111.9 | V44 L88 L89 Q90 R94 Q95 L112 F141 F164 L168 | V44-M92 HydrophobicContact CG1-CE 3.88Å; V44-M92 HydrophobicContact CG2-CE 4.22Å; L88-M92 WeakPolarHBondContact O-CG 3.2Å; L88-M92 PolarHBondContact O-N 3.16Å; L89-M92 PolarHBondContact O-N 3.47Å; Q90-M92 VanDerWaalsContact C-N 3.34Å; M92-R94 VanDerWaalsContact C-N 3.25Å; M92-R94 PolarHBondContact O-N 2.58Å; M92-Q95 CarbonylContact O-C 3.4Å; M92-Q95 WeakPolarHBondContact O-CA 3.45Å; M92-Q95 PolarHBondContact O-N 3.07Å; M92-L112 HydrophobicContact CG-CD1 4.37Å; M92-F141 HydrophobicContact CE-CB 4.06Å; M92-F141 HydrophobicContact CE-CD1 4.2Å; M92-F141 HydrophobicContact CE-CG 4.02Å; M92-F141 HydrophobicContact SD-CD1 3.96Å; M92-F141 HydrophobicContact SD-CE1 4.21Å; M92-F141 HydrophobicContact SD-CG 4.34Å; M92-F164 VanDerWaalsContact C-CZ 3.44Å; M92-F164 HydrophobicContact CB-CE1 3.85Å; M92-F164 HydrophobicContact CB-CZ 3.77Å; M92-L168 HydrophobicContact SD-CD1 3.95Å |
| 93 | M | 97 | Very high | 96.6 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 25% | 0.251 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.6 | -30.6 | 178.7 | -73.1 | -178.8 | 77.8 | 0 | 0 | 112.9 | L89 Q95 V96 E161 F164 M492 | L89-M93 HydrophobicContact CD1-CG 4Å; L89-M93 HydrophobicContact CD1-SD 4.02Å; L89-M93 HydrophobicContact CD2-SD 4.36Å; L89-M93 HydrophobicContact CG-CG 4.26Å; L89-M93 HydrophobicContact CG-SD 3.85Å; L89-M93 WeakPolarHBondContact O-CB 3.1Å; L89-M93 WeakPolarHBondContact O-CG 3.45Å; L89-M93 PolarHBondContact O-N 2.96Å; M93-Q95 PolarHBondContact O-N 3.21Å; M93-Q95 VanDerWaalsContact O-N 3.16Å; M93-V96 WeakPolarHBondContact O-CB 3.44Å; M93-V96 PolarHBondContact O-N 2.79Å; M93-V96 VanDerWaalsContact O-N 3.17Å; M93-E161 HydrophobicContact CE-CG 4.04Å; M93-E161 HydrophobicContact SD-CG 3.9Å; M93-F164 HydrophobicContact CB-CE1 4.47Å; M93-F164 HydrophobicContact CB-CZ 4.42Å; M93-F164 HydrophobicContact CG-CD1 3.5Å; M93-F164 VanDerWaalsContact CG-CD1 3.5Å; M93-F164 HydrophobicContact CG-CD2 4.08Å; M93-F164 HydrophobicContact CG-CE1 3.58Å; M93-F164 HydrophobicContact CG-CE2 4.17Å; M93-F164 HydrophobicContact CG-CG 3.76Å; M93-F164 HydrophobicContact CG-CZ 3.95Å; M93-F164 HydrophobicContact SD-CD1 4.48Å; M93-M492 HydrophobicContact CE-SD 3.98Å |
| 94 | R | 96.3 | Very high | 96 | Very high | 144 Ų | 144 | 37 Ų | 37 | 54% | 0.543 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.1 | 172.1 | -77 | 173.6 | 179.9 | -136.8 | 9.7 | 113.6 | Q90 M92 T120 C121 | Q90-R94 VanDerWaalsContact O-CG 3.28Å; Q90-R94 WeakPolarHBondContact O-CG 3.47Å; Q90-R94 PolarHBondContact O-N 2.74Å; Q90-R94 VanDerWaalsContact O-N 3.15Å; M92-R94 VanDerWaalsContact C-N 3.25Å; M92-R94 PolarHBondContact O-N 2.58Å; R94-T120 PolarHBondContact NH1-O 2.94Å; R94-T120 PolarHBondContact NH2-O 2.9Å; R94-C121 WeakPolarHBondContact CD-O 3.37Å |
| 95 | Q | 96.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 27.9 | 177 | -67.7 | 174.9 | 98.9 | 0 | 0 | 112.1 | C91 M92 M93 A97 K98 V99 L112 H113 Y116 | C91-Q95 PolarHBondContact O-NE2 2.95Å; M92-Q95 CarbonylContact O-C 3.4Å; M92-Q95 WeakPolarHBondContact O-CA 3.45Å; M92-Q95 PolarHBondContact O-N 3.07Å; M93-Q95 PolarHBondContact O-N 3.21Å; M93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-A97 PolarHBondContact O-N 2.9Å; Q95-A97 VanDerWaalsContact O-N 3.14Å; Q95-K98 HydrophobicContact CB-CB 4.37Å; Q95-K98 HydrophobicContact CB-CD 4.27Å; Q95-K98 HydrophobicContact CB-CG 4.43Å; Q95-K98 HydrophobicContact CG-CD 4.37Å; Q95-K98 WeakPolarHBondContact O-CA 3.25Å; Q95-K98 VanDerWaalsContact O-CB 3.3Å; Q95-K98 WeakPolarHBondContact O-CB 3.2Å; Q95-K98 PolarHBondContact O-N 3.25Å; Q95-V99 PolarHBondContact O-N 3.23Å; Q95-L112 HydrophobicContact CB-CD2 3.6Å; Q95-H113 VanDerWaalsContact OE1-N 3.17Å; Q95-Y116 PolarHBondContact NE2-OH 2.8Å |
| 96 | V | 97.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54 | -36.5 | -177.8 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | M93 K98 V99 E100 F164 M492 L494 | M93-V96 WeakPolarHBondContact O-CB 3.44Å; M93-V96 PolarHBondContact O-N 2.79Å; M93-V96 VanDerWaalsContact O-N 3.17Å; V96-K98 PolarHBondContact O-N 2.88Å; V96-V99 WeakPolarHBondContact O-CB 3.33Å; V96-V99 PolarHBondContact O-N 2.8Å; V96-V99 VanDerWaalsContact O-N 3.12Å; V96-E100 PolarHBondContact O-N 2.73Å; V96-F164 HydrophobicContact CB-CE2 4.24Å; V96-F164 HydrophobicContact CG2-CD2 4Å; V96-F164 HydrophobicContact CG2-CE2 4.08Å; V96-M492 HydrophobicContact CG2-CB 4.13Å; V96-L494 HydrophobicContact CG2-CD1 4.03Å; V96-L494 HydrophobicContact CG2-CD2 3.64Å; V96-L494 HydrophobicContact CG2-CG 3.89Å |
| 97 | A | 96.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 41 Ų | 41 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.3 | -31.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q95 K101 | Q95-A97 PolarHBondContact O-N 2.9Å; Q95-A97 VanDerWaalsContact O-N 3.14Å; A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 2.89Å; A97-K101 VanDerWaalsContact O-N 3.15Å |
| 98 | K | 96.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 43 Ų | 43 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.8 | -42.7 | 174.5 | -68 | -168.8 | 172.5 | -173.4 | 0 | 111.5 | Q95 V96 E100 K101 F102 D110 S111 H113 D127 | Q95-K98 HydrophobicContact CB-CB 4.37Å; Q95-K98 HydrophobicContact CB-CD 4.27Å; Q95-K98 HydrophobicContact CB-CG 4.43Å; Q95-K98 HydrophobicContact CG-CD 4.37Å; Q95-K98 WeakPolarHBondContact O-CA 3.25Å; Q95-K98 VanDerWaalsContact O-CB 3.3Å; Q95-K98 WeakPolarHBondContact O-CB 3.2Å; Q95-K98 PolarHBondContact O-N 3.25Å; V96-K98 PolarHBondContact O-N 2.88Å; K98-E100 VanDerWaalsContact C-N 3.29Å; K98-E100 PolarHBondContact O-N 2.91Å; K98-K101 PolarHBondContact O-N 3.17Å; K98-F102 VanDerWaalsContact O-CB 3.25Å; K98-F102 WeakPolarHBondContact O-CB 3.44Å; K98-F102 PolarHBondContact O-N 3.07Å; K98-D110 WeakPolarHBondContact CB-O 3.07Å; K98-S111 WeakPolarHBondContact CD-O 3.32Å; K98-H113 PolarHBondContact NZ-CD2 3.28Å; K98-H113 PolarHBondContact NZ-NE2 2.94Å; K98-D127 IonicContact NZ-OD1 3.59Å; K98-D127 PolarHBondContact NZ-OD1 3.1Å; K98-D127 IonicContact NZ-OD2 2.71Å |
| 99 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.9 | -46.8 | 175 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | Q95 V96 K101 F102 K103 L112 F164 N167 L168 Y171 | Q95-V99 PolarHBondContact O-N 3.23Å; V96-V99 WeakPolarHBondContact O-CB 3.33Å; V96-V99 PolarHBondContact O-N 2.8Å; V96-V99 VanDerWaalsContact O-N 3.12Å; V99-K101 PolarHBondContact O-N 2.62Å; V99-F102 PolarHBondContact O-N 2.68Å; V99-K103 WeakPolarHBondContact O-CG 3.47Å; V99-K103 PolarHBondContact O-N 2.63Å; V99-L112 HydrophobicContact CG2-CD1 4.11Å; V99-L112 HydrophobicContact CG2-CD2 3.77Å; V99-L112 HydrophobicContact CG2-CG 4.12Å; V99-F164 HydrophobicContact CG2-CE2 3.97Å; V99-F164 HydrophobicContact CG2-CZ 4.2Å; V99-N167 HydrophobicContact CG1-CB 4.06Å; V99-L168 HydrophobicContact CG1-CD2 4.28Å; V99-L168 HydrophobicContact CG2-CD2 3.97Å; V99-Y171 HydrophobicContact CG1-CD2 4.43Å |
| 100 | E | 95.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 177.4 | -176.6 | 55.8 | -143.5 | 0 | 0 | 111.9 | V96 K98 F102 K103 L494 S495 | V96-E100 PolarHBondContact O-N 2.73Å; K98-E100 VanDerWaalsContact C-N 3.29Å; K98-E100 PolarHBondContact O-N 2.91Å; E100-F102 PolarHBondContact O-N 3.49Å; E100-K103 IonicContact OE1-NZ 3.37Å; E100-K103 PolarHBondContact OE1-NZ 3.37Å; E100-K103 WeakPolarHBondContact OE2-CE 3.38Å; E100-K103 IonicContact OE2-NZ 2.69Å; E100-K103 PolarHBondContact OE2-NZ 2.75Å; E100-L494 HydrophobicContact CB-CD2 4.27Å; E100-L494 WeakPolarHBondContact OE2-CA 3.18Å; E100-S495 VanDerWaalsContact OE1-CB 3.24Å; E100-S495 WeakPolarHBondContact OE1-CB 3.11Å; E100-S495 PolarHBondContact OE1-OG 3.07Å; E100-S495 PolarHBondContact OE2-N 3.49Å; E100-S495 PolarHBondContact OE2-OG 2.87Å |
| 101 | K | 94.1 | Very high | 93 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 50% | 0.496 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -41 | -178.6 | -166.6 | 173.3 | 175.5 | -155.8 | 0 | 112.6 | A97 K98 V99 K103 H104 T105 D110 | A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 2.89Å; A97-K101 VanDerWaalsContact O-N 3.15Å; K98-K101 PolarHBondContact O-N 3.17Å; V99-K101 PolarHBondContact O-N 2.62Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 3.29Å; K101-H104 PolarHBondContact O-N 2.67Å; K101-H104 VanDerWaalsContact O-N 3.16Å; K101-T105 HydrophobicContact CG-CG2 3.92Å; K101-T105 PolarHBondContact O-N 3.39Å; K101-T105 PolarHBondContact O-OG1 3.37Å; K101-D110 HydrophobicContact CB-CB 4.39Å; K101-D110 HydrophobicContact CD-CB 4.25Å; K101-D110 VanDerWaalsContact CD-CG 3.45Å; K101-D110 VanDerWaalsContact CD-OD1 3.25Å; K101-D110 WeakPolarHBondContact CD-OD1 3.46Å; K101-D110 VanDerWaalsContact CE-CG 3.42Å; K101-D110 WeakPolarHBondContact CE-OD1 3.45Å; K101-D110 VanDerWaalsContact CE-OD2 3.22Å; K101-D110 WeakPolarHBondContact CE-OD2 3.44Å; K101-D110 HydrophobicContact CG-CB 4.18Å; K101-D110 IonicContact NZ-OD1 2.62Å; K101-D110 PolarHBondContact NZ-OD1 2.94Å; K101-D110 IonicContact NZ-OD2 3.68Å |
| 102 | F | 93.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -31.9 | -176.8 | -169.8 | -93.3 | 0 | 0 | 0 | 113.3 | K98 V99 E100 H104 T105 Q106 S107 D110 L133 Y171 V178 | K98-F102 VanDerWaalsContact O-CB 3.25Å; K98-F102 WeakPolarHBondContact O-CB 3.44Å; K98-F102 PolarHBondContact O-N 3.07Å; V99-F102 PolarHBondContact O-N 2.68Å; E100-F102 PolarHBondContact O-N 3.49Å; F102-H104 PolarHBondContact O-N 3.02Å; F102-T105 PolarHBondContact O-N 2.92Å; F102-Q106 VanDerWaalsContact CE2-C 3.44Å; F102-Q106 HydrophobicContact CZ-CB 4.43Å; F102-Q106 PolarHBondContact O-N 2.94Å; F102-S107 WeakPolarHBondContact CD2-O 3.2Å; F102-S107 WeakPolarHBondContact CE2-O 3.38Å; F102-D110 HydrophobicContact CD2-CB 4.41Å; F102-L133 HydrophobicContact CE2-CD1 3.68Å; F102-L133 HydrophobicContact CE2-CD2 4.27Å; F102-L133 HydrophobicContact CZ-CD1 3.54Å; F102-L133 HydrophobicContact CZ-CD2 4.41Å; F102-Y171 HydrophobicContact CB-CD2 3.87Å; F102-Y171 HydrophobicContact CB-CE2 3.64Å; F102-Y171 HydrophobicContact CD1-CD1 4.32Å; F102-Y171 AromaticContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CE1 4.24Å; F102-Y171 AromaticContact CD1-CE2 3.21Å; F102-Y171 HydrophobicContact CD1-CE2 3.21Å; F102-Y171 AromaticContact CD1-CG 3.87Å; F102-Y171 HydrophobicContact CD1-CG 3.87Å; F102-Y171 AromaticContact CD1-CZ 3.7Å; F102-Y171 HydrophobicContact CD2-CE2 4.04Å; F102-Y171 HydrophobicContact CE1-CD1 4.28Å; F102-Y171 HydrophobicContact CE1-CD2 4.04Å; F102-Y171 HydrophobicContact CE1-CE1 4.04Å; F102-Y171 AromaticContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CG 4.26Å; F102-Y171 AromaticContact CE1-CZ 3.79Å; F102-Y171 AromaticContact CG-CD2 3.77Å; F102-Y171 HydrophobicContact CG-CD2 3.77Å; F102-Y171 AromaticContact CG-CE2 3.33Å; F102-Y171 HydrophobicContact CG-CE2 3.33Å; F102-Y171 AromaticContact CG-CZ 3.99Å; F102-Y171 HydrophobicContact CZ-CE2 4.44Å; F102-V178 HydrophobicContact CZ-CG1 3.99Å |
| 103 | K | 89.7 | Confident | 92.8 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.1 | -27.6 | 174.9 | -74.9 | -175.5 | -57.7 | 179.7 | 0 | 113.2 | V99 E100 K101 N167 F170 S495 G496 P498 R500 | V99-K103 WeakPolarHBondContact O-CG 3.47Å; V99-K103 PolarHBondContact O-N 2.63Å; E100-K103 IonicContact OE1-NZ 3.37Å; E100-K103 PolarHBondContact OE1-NZ 3.37Å; E100-K103 WeakPolarHBondContact OE2-CE 3.38Å; E100-K103 IonicContact OE2-NZ 2.69Å; E100-K103 PolarHBondContact OE2-NZ 2.75Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 3.29Å; K103-N167 PolarHBondContact NZ-OD1 2.77Å; K103-F170 HydrophobicContact CD-CB 3.97Å; K103-F170 HydrophobicContact CD-CD2 4.24Å; K103-F170 HydrophobicContact CG-CB 4.17Å; K103-S495 PolarHBondContact NZ-OG 3.46Å; K103-S495 VanDerWaalsContact NZ-OG 3.14Å; K103-G496 PolarHBondContact NZ-O 3.48Å; K103-P498 HydrophobicContact CB-CG 3.8Å; K103-P498 HydrophobicContact CD-CG 4.4Å; K103-R500 PolarHBondContact O-NH2 3.24Å |
| 104 | H | 85.5 | Confident | 92.6 | Very high | 103 Ų | 103 | 44 Ų | 44 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -102.8 | -47 | 178.7 | -60.6 | -80.6 | 0 | 0 | 0 | 112.3 | K101 F102 | K101-H104 PolarHBondContact O-N 2.67Å; K101-H104 VanDerWaalsContact O-N 3.16Å; F102-H104 PolarHBondContact O-N 3.02Å |
| 105 | T | 87 | Confident | 92.5 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -83.8 | -31.6 | -170.1 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | K101 F102 S107 D110 | K101-T105 HydrophobicContact CG-CG2 3.92Å; K101-T105 PolarHBondContact O-N 3.39Å; K101-T105 PolarHBondContact O-OG1 3.37Å; F102-T105 PolarHBondContact O-N 2.92Å; T105-S107 PolarHBondContact O-N 3.49Å; T105-S107 PolarHBondContact OG1-N 3.49Å; T105-D110 VanDerWaalsContact CB-OD2 3.27Å; T105-D110 WeakPolarHBondContact CB-OD2 3.48Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.35Å; T105-D110 WeakPolarHBondContact OG1-CB 3.29Å; T105-D110 PolarHBondContact OG1-OD2 3.44Å |
| 106 | Q | 87.1 | Confident | 92.4 | Very high | 47 Ų | 47 | 37 Ų | 37 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | trans | 49.7 | 24.5 | -173.1 | -67.3 | 161 | 55.6 | 0 | 0 | 113.4 | F102 V178 | F102-Q106 VanDerWaalsContact CE2-C 3.44Å; F102-Q106 HydrophobicContact CZ-CB 4.43Å; F102-Q106 PolarHBondContact O-N 2.94Å; Q106-V178 HydrophobicContact CB-CG2 4.06Å; Q106-V178 HydrophobicContact CG-CG2 3.93Å | ||
| 107 | S | 86 | Confident | 92.4 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | trans | -87.7 | 146.8 | -174 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | F102 T105 K109 D110 S111 | F102-S107 WeakPolarHBondContact CD2-O 3.2Å; F102-S107 WeakPolarHBondContact CE2-O 3.38Å; T105-S107 PolarHBondContact O-N 3.49Å; T105-S107 PolarHBondContact OG1-N 3.49Å; S107-K109 PolarHBondContact O-N 2.89Å; S107-D110 PolarHBondContact O-N 3.31Å; S107-D110 VanDerWaalsContact O-N 3.1Å; S107-S111 PolarHBondContact O-N 2.82Å | ||
| 108 | T | 87.8 | Confident | 92.2 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 27% | 0.27 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -55.3 | -36.2 | 174 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | D110 S111 L133 Y181 P195 | T108-D110 VanDerWaalsContact C-N 3.31Å; T108-D110 PolarHBondContact O-N 3.18Å; T108-S111 WeakPolarHBondContact O-CB 3.44Å; T108-S111 PolarHBondContact O-N 3.5Å; T108-S111 PolarHBondContact O-OG 3.11Å; T108-L133 HydrophobicContact CG2-CB 4.26Å; T108-L133 HydrophobicContact CG2-CD2 3.83Å; T108-Y181 HydrophobicContact CG2-CE2 3.87Å; T108-P195 HydrophobicContact CG2-CG 4.2Å |
| 109 | K | 88.6 | Confident | 92.1 | Very high | 135 Ų | 135 | 36 Ų | 36 | 59% | 0.587 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -68.8 | -28.4 | -179.7 | -65.6 | -175.3 | 178.2 | -177 | 0 | 113.8 | S107 S111 | S107-K109 PolarHBondContact O-N 2.89Å; K109-S111 VanDerWaalsContact C-N 3.35Å |
| 110 | D | 91.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -96.4 | 3.7 | -177.4 | -59.6 | -34.4 | 0 | 0 | 0 | 111.8 | K98 K101 F102 T105 S107 T108 | K98-D110 WeakPolarHBondContact CB-O 3.07Å; K101-D110 HydrophobicContact CB-CB 4.39Å; K101-D110 HydrophobicContact CD-CB 4.25Å; K101-D110 VanDerWaalsContact CD-CG 3.45Å; K101-D110 VanDerWaalsContact CD-OD1 3.25Å; K101-D110 WeakPolarHBondContact CD-OD1 3.46Å; K101-D110 VanDerWaalsContact CE-CG 3.42Å; K101-D110 WeakPolarHBondContact CE-OD1 3.45Å; K101-D110 VanDerWaalsContact CE-OD2 3.22Å; K101-D110 WeakPolarHBondContact CE-OD2 3.44Å; K101-D110 HydrophobicContact CG-CB 4.18Å; K101-D110 IonicContact NZ-OD1 2.62Å; K101-D110 PolarHBondContact NZ-OD1 2.94Å; K101-D110 IonicContact NZ-OD2 3.68Å; F102-D110 HydrophobicContact CD2-CB 4.41Å; T105-D110 VanDerWaalsContact CB-OD2 3.27Å; T105-D110 WeakPolarHBondContact CB-OD2 3.48Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.35Å; T105-D110 WeakPolarHBondContact OG1-CB 3.29Å; T105-D110 PolarHBondContact OG1-OD2 3.44Å; S107-D110 PolarHBondContact O-N 3.31Å; S107-D110 VanDerWaalsContact O-N 3.1Å; T108-D110 VanDerWaalsContact C-N 3.31Å; T108-D110 PolarHBondContact O-N 3.18Å |
| 111 | S | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -75.6 | 153.5 | -177.9 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | K98 S107 T108 K109 L133 Y171 | K98-S111 WeakPolarHBondContact CD-O 3.32Å; S107-S111 PolarHBondContact O-N 2.82Å; T108-S111 WeakPolarHBondContact O-CB 3.44Å; T108-S111 PolarHBondContact O-N 3.5Å; T108-S111 PolarHBondContact O-OG 3.11Å; K109-S111 VanDerWaalsContact C-N 3.35Å; S111-L133 PolarHBondContact OG-N 3.11Å; S111-Y171 WeakPolarHBondContact CA-OH 3.07Å; S111-Y171 WeakPolarHBondContact CB-OH 3.22Å |
| 112 | L | 96.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 141.3 | 169.9 | -72.7 | 176 | 0 | 0 | 0 | 110.7 | M92 Q95 V99 T138 L168 Y171 | M92-L112 HydrophobicContact CG-CD1 4.37Å; Q95-L112 HydrophobicContact CB-CD2 3.6Å; V99-L112 HydrophobicContact CG2-CD1 4.11Å; V99-L112 HydrophobicContact CG2-CD2 3.77Å; V99-L112 HydrophobicContact CG2-CG 4.12Å; L112-T138 HydrophobicContact CD1-CG2 4.47Å; L112-L168 HydrophobicContact CD1-CD2 3.8Å; L112-Y171 HydrophobicContact CD1-CE2 4.37Å; L112-Y171 HydrophobicContact CG-CE2 4.05Å; L112-Y171 PolarHBondContact N-OH 3.43Å |
| 113 | H | 95.3 | Very high | 92 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 136.9 | 172 | -78.1 | -156.1 | 0 | 0 | 0 | 112 | Q95 K98 Y116 T123 V125 D127 H132 | Q95-H113 VanDerWaalsContact OE1-N 3.17Å; K98-H113 PolarHBondContact NZ-CD2 3.28Å; K98-H113 PolarHBondContact NZ-NE2 2.94Å; H113-Y116 HydrophobicContact CB-CE1 4.02Å; H113-Y116 WeakPolarHBondContact O-CE2 3.38Å; H113-Y116 PolarHBondContact O-OH 3.47Å; H113-T123 WeakPolarHBondContact ND1-CB 3.45Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.29Å; H113-V125 PolarHBondContact CE1-O 2.91Å; H113-D127 IonicContact CD2-OD1 3.76Å; H113-D127 IonicContact CE1-OD1 2.86Å; H113-D127 IonicContact NE2-OD1 2.92Å; H113-D127 PolarHBondContact NE2-OD1 2.96Å; H113-H132 AromaticContact CD2-CD2 3.69Å; H113-H132 AromaticContact CD2-CE1 3.86Å; H113-H132 AromaticContact CD2-CG 3.74Å; H113-H132 AromaticContact CD2-ND1 3.87Å; H113-H132 AromaticContact CD2-NE2 3.77Å; H113-H132 AromaticContact CE1-CE1 3.81Å; H113-H132 AromaticContact CE1-NE2 3.51Å; H113-H132 AromaticContact CG-CE1 3.56Å; H113-H132 AromaticContact CG-ND1 3.7Å; H113-H132 AromaticContact CG-NE2 3.88Å; H113-H132 AromaticContact ND1-CE1 3.54Å; H113-H132 AromaticContact ND1-NE2 3.73Å; H113-H132 AromaticContact NE2-CD2 3.65Å; H113-H132 AromaticContact NE2-CE1 3.99Å; H113-H132 AromaticContact NE2-NE2 3.54Å |
| 114 | A | 92.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -78.8 | -16.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V44 H132 Q134 | V44-A114 WeakPolarHBondContact CG2-O 3.45Å; V44-A114 PolarHBondContact N-O 3.28Å; A114-H132 PolarHBondContact N-ND1 3.22Å; A114-Q134 HydrophobicContact CB-CB 4.33Å; A114-Q134 VanDerWaalsContact CB-CD 3.42Å; A114-Q134 HydrophobicContact CB-CG 4.1Å |
| 115 | K | 93.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.5 | -175.7 | 63 | 178.1 | -177.4 | -178.3 | 0 | 112.5 | A42 W43 V124 W130 | A42-K115 CarbonylContact O-C 3.6Å; A42-K115 VanDerWaalsContact O-CA 3.29Å; A42-K115 WeakPolarHBondContact O-CA 3.39Å; W43-K115 HydrophobicContact CD2-CB 3.98Å; W43-K115 HydrophobicContact CG-CB 4.13Å; W43-K115 HydrophobicContact CH2-CD 4.03Å; W43-K115 HydrophobicContact CZ2-CB 4.31Å; W43-K115 HydrophobicContact CZ2-CD 3.45Å; W43-K115 VanDerWaalsContact CZ2-CD 3.45Å; W43-K115 HydrophobicContact CZ2-CG 4.49Å; K115-V124 HydrophobicContact CB-CG2 4.49Å; K115-V124 HydrophobicContact CD-CG2 3.96Å; K115-V124 HydrophobicContact CG-CG2 3.71Å; K115-W130 HydrophobicContact CD-CD2 4.42Å; K115-W130 VanDerWaalsContact NZ-CD2 3.33Å |
| 116 | Y | 95.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 159.5 | -171.2 | -61 | -75.7 | 0 | 0 | 0 | 113 | D41 A42 V44 C91 Q95 H113 T118 G122 | D41-Y116 CarbonylContact C-O 3.6Å; D41-Y116 WeakPolarHBondContact CA-O 3.38Å; A42-Y116 PolarHBondContact N-O 3.04Å; A42-Y116 PolarHBondContact O-N 3.25Å; V44-Y116 HydrophobicContact CG2-CD2 4.08Å; V44-Y116 HydrophobicContact CG2-CE2 3.54Å; C91-Y116 HydrophobicContact CB-CD1 3.64Å; C91-Y116 HydrophobicContact CB-CD2 3.69Å; C91-Y116 HydrophobicContact CB-CE1 3.67Å; C91-Y116 HydrophobicContact CB-CE2 3.73Å; C91-Y116 HydrophobicContact CB-CG 3.63Å; C91-Y116 VanDerWaalsContact SG-CG 3.6Å; Q95-Y116 PolarHBondContact NE2-OH 2.8Å; H113-Y116 HydrophobicContact CB-CE1 4.02Å; H113-Y116 WeakPolarHBondContact O-CE2 3.38Å; H113-Y116 PolarHBondContact O-OH 3.47Å; Y116-T118 PolarHBondContact O-N 2.82Å; Y116-G122 WeakPolarHBondContact CA-O 3.17Å |
| 117 | N | 95.3 | Very high | 92.5 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.4 | 170.8 | -173.5 | -78.6 | 0 | 0 | 0 | 109.8 | A119 T120 C121 G122 V124 | N117-A119 PolarHBondContact O-N 2.93Å; N117-A119 PolarHBondContact OD1-N 3.44Å; N117-T120 VanDerWaalsContact CB-OG1 3.31Å; N117-T120 WeakPolarHBondContact CB-OG1 3.16Å; N117-T120 PolarHBondContact OD1-N 3.08Å; N117-T120 PolarHBondContact OD1-OG1 3.1Å; N117-C121 WeakPolarHBondContact O-CA 3.45Å; N117-C121 PolarHBondContact O-N 3.36Å; N117-G122 PolarHBondContact N-O 3.46Å; N117-V124 HydrophobicContact CB-CG1 3.7Å; N117-V124 VanDerWaalsContact N-CG1 3.25Å |
| 118 | T | 94.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.7 | -178.3 | 43.2 | 0 | 0 | 0 | 0 | 114.3 | T30 L32 K40 A42 Y116 | T30-T118 WeakPolarHBondContact CB-O 3.4Å; T30-T118 VanDerWaalsContact CG2-O 3.31Å; T30-T118 WeakPolarHBondContact CG2-O 3.26Å; T30-T118 PolarHBondContact OG1-O 3.04Å; L32-T118 HydrophobicContact CB-CG2 4.17Å; K40-T118 WeakPolarHBondContact O-CB 3.24Å; K40-T118 WeakPolarHBondContact O-CG2 3.14Å; K40-T118 PolarHBondContact O-OG1 3.39Å; A42-T118 HydrophobicContact CB-CG2 3.68Å; Y116-T118 PolarHBondContact O-N 2.82Å |
| 119 | A | 92.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -34.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T30 N117 | T30-A119 WeakPolarHBondContact CG2-O 3.12Å; N117-A119 PolarHBondContact O-N 2.93Å; N117-A119 PolarHBondContact OD1-N 3.44Å |
| 120 | T | 93.6 | Very high | 92.2 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -12 | -171.7 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | R94 N117 G122 | R94-T120 PolarHBondContact NH1-O 2.94Å; R94-T120 PolarHBondContact NH2-O 2.9Å; N117-T120 VanDerWaalsContact CB-OG1 3.31Å; N117-T120 WeakPolarHBondContact CB-OG1 3.16Å; N117-T120 PolarHBondContact OD1-N 3.08Å; N117-T120 PolarHBondContact OD1-OG1 3.1Å; T120-G122 PolarHBondContact O-N 3.44Å; T120-G122 PolarHBondContact OG1-N 2.91Å |
| 121 | C | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | trans | 59.1 | 19 | -170.1 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | T30 C91 R94 N117 | T30-C121 VanDerWaalsContact CG2-SG 3.56Å; C91-C121 WeakPolarHBondContact SG-CB 3.47Å; R94-C121 WeakPolarHBondContact CD-O 3.37Å; N117-C121 WeakPolarHBondContact O-CA 3.45Å; N117-C121 PolarHBondContact O-N 3.36Å | ||
| 122 | G | 94.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | trans | -88 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y116 N117 T120 | Y116-G122 WeakPolarHBondContact CA-O 3.17Å; N117-G122 PolarHBondContact N-O 3.46Å; T120-G122 PolarHBondContact O-N 3.44Å; T120-G122 PolarHBondContact OG1-N 2.91Å | ||
| 123 | T | 93.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -65.4 | 150.8 | 168.6 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | H113 | H113-T123 WeakPolarHBondContact ND1-CB 3.45Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.29Å |
| 124 | V | 93.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | trans | -117 | -13.2 | -175.8 | -68.4 | 0 | 0 | 0 | 0 | 114 | K115 N117 | K115-V124 HydrophobicContact CB-CG2 4.49Å; K115-V124 HydrophobicContact CD-CG2 3.96Å; K115-V124 HydrophobicContact CG-CG2 3.71Å; N117-V124 HydrophobicContact CB-CG1 3.7Å; N117-V124 VanDerWaalsContact N-CG1 3.25Å | ||
| 125 | V | 91.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -143.8 | 168.8 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 108.4 | H113 Q129 W130 H132 | H113-V125 PolarHBondContact CE1-O 2.91Å; V125-Q129 HydrophobicContact CB-CB 4.23Å; V125-W130 HydrophobicContact CG2-CB 4.04Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.32Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.33Å |
| 126 | D | 89 | Confident | 91.9 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | trans | -80.5 | 163.9 | 174.9 | -60 | -48.2 | 0 | 0 | 0 | 112.2 | D128 Q129 H132 | D126-D128 PolarHBondContact O-N 2.82Å; D126-D128 VanDerWaalsContact O-N 3.13Å; D126-Q129 HydrophobicContact CB-CG 4.08Å; D126-Q129 PolarHBondContact O-N 3.21Å; D126-Q129 VanDerWaalsContact O-N 3.16Å; D126-Q129 PolarHBondContact OD2-NE2 2.83Å; D126-H132 PolarHBondContact O-NE2 3.37Å | ||
| 127 | D | 87.2 | Confident | 92 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.6 | -171.7 | -69 | -20.8 | 0 | 0 | 0 | 114.9 | K98 H113 | K98-D127 IonicContact NZ-OD1 3.59Å; K98-D127 PolarHBondContact NZ-OD1 3.1Å; K98-D127 IonicContact NZ-OD2 2.71Å; H113-D127 IonicContact CD2-OD1 3.76Å; H113-D127 IonicContact CE1-OD1 2.86Å; H113-D127 IonicContact NE2-OD1 2.92Å; H113-D127 PolarHBondContact NE2-OD1 2.96Å |
| 128 | D | 85.1 | Confident | 92.1 | Very high | 132 Ų | 132 | 40.3 Ų | 40.3 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -5 | -177.2 | 63.1 | -36.2 | 0 | 0 | 0 | 113.9 | D126 | D126-D128 PolarHBondContact O-N 2.82Å; D126-D128 VanDerWaalsContact O-N 3.13Å |
| 129 | Q | 84.4 | Confident | 92.3 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 49% | 0.486 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -87.8 | -9.5 | -175.7 | -70.2 | 175.2 | 0.5 | 0 | 0 | 113.7 | V125 D126 | V125-Q129 HydrophobicContact CB-CB 4.23Å; D126-Q129 HydrophobicContact CB-CG 4.08Å; D126-Q129 PolarHBondContact O-N 3.21Å; D126-Q129 VanDerWaalsContact O-N 3.16Å; D126-Q129 PolarHBondContact OD2-NE2 2.83Å |
| 130 | W | 85.5 | Confident | 92.5 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -146.9 | 153.9 | -177.6 | -162.5 | -98 | 0 | 0 | 0 | 112.2 | W43 K115 V125 H132 E185 | W43-W130 HydrophobicContact CZ2-CH2 4.44Å; W43-W130 AromaticContact CZ2-CZ2 3.99Å; W43-W130 HydrophobicContact CZ2-CZ2 3.99Å; K115-W130 HydrophobicContact CD-CD2 4.42Å; K115-W130 VanDerWaalsContact NZ-CD2 3.33Å; V125-W130 HydrophobicContact CG2-CB 4.04Å; W130-H132 AromaticContact CD1-ND1 3.92Å; W130-H132 PolarHBondContact O-CD2 3.23Å; W130-H132 PolarHBondContact O-N 3.16Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.45Å; W130-E185 PolarHBondContact NE1-OE1 3.33Å; W130-E185 VanDerWaalsContact NE1-OE1 3.1Å |
| 131 | G | 85.6 | Confident | 92.8 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | trans | -71.3 | 69 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q134 Y181 | G131-Q134 WeakPolarHBondContact O-CG 3.48Å; G131-Q134 PolarHBondContact O-NE2 3.49Å; G131-Y181 VanDerWaalsContact C-CD2 3.46Å; G131-Y181 VanDerWaalsContact CA-CG 3.44Å | ||
| 132 | H | 91.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -72.6 | -34.7 | -173.2 | -75.1 | -56.8 | 0 | 0 | 0 | 114.1 | H113 A114 V125 D126 W130 Q134 | H113-H132 AromaticContact CD2-CD2 3.69Å; H113-H132 AromaticContact CD2-CE1 3.86Å; H113-H132 AromaticContact CD2-CG 3.74Å; H113-H132 AromaticContact CD2-ND1 3.87Å; H113-H132 AromaticContact CD2-NE2 3.77Å; H113-H132 AromaticContact CE1-CE1 3.81Å; H113-H132 AromaticContact CE1-NE2 3.51Å; H113-H132 AromaticContact CG-CE1 3.56Å; H113-H132 AromaticContact CG-ND1 3.7Å; H113-H132 AromaticContact CG-NE2 3.88Å; H113-H132 AromaticContact ND1-CE1 3.54Å; H113-H132 AromaticContact ND1-NE2 3.73Å; H113-H132 AromaticContact NE2-CD2 3.65Å; H113-H132 AromaticContact NE2-CE1 3.99Å; H113-H132 AromaticContact NE2-NE2 3.54Å; A114-H132 PolarHBondContact N-ND1 3.22Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.32Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.33Å; D126-H132 PolarHBondContact O-NE2 3.37Å; W130-H132 AromaticContact CD1-ND1 3.92Å; W130-H132 PolarHBondContact O-CD2 3.23Å; W130-H132 PolarHBondContact O-N 3.16Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.68Å | ||
| 133 | L | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -66.8 | 94.2 | 177.3 | -178.4 | 54.6 | 0 | 0 | 0 | 109.3 | F102 T108 S111 V135 V178 A179 D180 Y181 | F102-L133 HydrophobicContact CE2-CD1 3.68Å; F102-L133 HydrophobicContact CE2-CD2 4.27Å; F102-L133 HydrophobicContact CZ-CD1 3.54Å; F102-L133 HydrophobicContact CZ-CD2 4.41Å; T108-L133 HydrophobicContact CG2-CB 4.26Å; T108-L133 HydrophobicContact CG2-CD2 3.83Å; S111-L133 PolarHBondContact OG-N 3.11Å; L133-V135 HydrophobicContact CD1-CG2 4.06Å; L133-V178 HydrophobicContact CD1-CG1 4.28Å; L133-V178 HydrophobicContact CD2-CG1 3.93Å; L133-V178 HydrophobicContact CG-CG1 4.47Å; L133-A179 WeakPolarHBondContact CD2-O 3.31Å; L133-D180 HydrophobicContact CG-CB 3.96Å; L133-D180 WeakPolarHBondContact O-CB 3.49Å; L133-Y181 HydrophobicContact CB-CD2 4.13Å; L133-Y181 HydrophobicContact CB-CE2 4.39Å; L133-Y181 PolarHBondContact O-N 3.22Å | ||
| 134 | Q | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | trans | -128.7 | 91.7 | 179.8 | -69.8 | -178 | 17.2 | 0 | 0 | 107.7 | A114 G131 H132 D136 A137 E185 | A114-Q134 HydrophobicContact CB-CB 4.33Å; A114-Q134 VanDerWaalsContact CB-CD 3.42Å; A114-Q134 HydrophobicContact CB-CG 4.1Å; G131-Q134 WeakPolarHBondContact O-CG 3.48Å; G131-Q134 PolarHBondContact O-NE2 3.49Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.68Å; Q134-D136 VanDerWaalsContact C-N 3.26Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.42Å; Q134-D136 PolarHBondContact O-N 3.02Å; Q134-A137 HydrophobicContact CB-CB 4.02Å; Q134-A137 PolarHBondContact O-N 3.4Å; Q134-E185 PolarHBondContact NE2-OE1 2.72Å | ||
| 135 | V | 95.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.5 | -32.4 | -176.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | L133 A137 T138 S139 I172 A175 V178 D180 A205 | L133-V135 HydrophobicContact CD1-CG2 4.06Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.12Å; V135-T138 PolarHBondContact O-N 3.26Å; V135-S139 VanDerWaalsContact O-CB 3.27Å; V135-S139 WeakPolarHBondContact O-CB 3.43Å; V135-S139 PolarHBondContact O-N 3.45Å; V135-S139 PolarHBondContact O-OG 3.43Å; V135-I172 HydrophobicContact CG1-CG2 4.42Å; V135-A175 HydrophobicContact CG1-CB 3.74Å; V135-V178 HydrophobicContact CG2-CG1 4.1Å; V135-D180 HydrophobicContact CG2-CB 4.08Å; V135-D180 PolarHBondContact N-OD2 3.4Å; V135-A205 HydrophobicContact CG1-CB 4.27Å |
| 136 | D | 96.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.3 | -44.1 | 173.5 | 67.8 | -53.3 | 0 | 0 | 0 | 112.3 | R45 Q134 S139 L140 M183 M204 | R45-D136 WeakPolarHBondContact CD-OD2 2.98Å; R45-D136 IonicContact CZ-OD2 3.94Å; R45-D136 IonicContact NE-OD2 3.78Å; R45-D136 PolarHBondContact NE-OD2 3.04Å; Q134-D136 VanDerWaalsContact C-N 3.26Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.42Å; Q134-D136 PolarHBondContact O-N 3.02Å; D136-S139 PolarHBondContact O-N 3.39Å; D136-L140 VanDerWaalsContact O-CB 3.25Å; D136-L140 WeakPolarHBondContact O-CB 3.38Å; D136-L140 PolarHBondContact O-N 3Å; D136-M183 WeakPolarHBondContact OD2-CA 3.44Å; D136-M183 VanDerWaalsContact OD2-CB 3.31Å; D136-M183 WeakPolarHBondContact OD2-CB 3.49Å; D136-M204 HydrophobicContact CB-CB 4.49Å |
| 137 | A | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.8 | -43.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V44 R45 Q134 V135 L140 F141 | V44-A137 HydrophobicContact CB-CB 4.23Å; V44-A137 HydrophobicContact CG1-CB 4.21Å; R45-A137 HydrophobicContact CB-CB 4.37Å; Q134-A137 HydrophobicContact CB-CB 4.02Å; Q134-A137 PolarHBondContact O-N 3.4Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.12Å; A137-L140 PolarHBondContact O-N 3.3Å; A137-F141 PolarHBondContact O-N 3.49Å; A137-F141 VanDerWaalsContact O-N 3.16Å |
| 138 | T | 97.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 5% | 0.049 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | L112 V135 F141 L142 L168 Y171 I172 | L112-T138 HydrophobicContact CD1-CG2 4.47Å; V135-T138 PolarHBondContact O-N 3.26Å; T138-F141 WeakPolarHBondContact O-CB 3.25Å; T138-F141 PolarHBondContact O-N 3.32Å; T138-L142 PolarHBondContact O-N 3.35Å; T138-L142 VanDerWaalsContact O-N 3.16Å; T138-L168 HydrophobicContact CG2-CD2 4.41Å; T138-Y171 HydrophobicContact CG2-CD1 4.29Å; T138-I172 HydrophobicContact CG2-CG2 3.97Å |
| 139 | S | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | V135 D136 F141 L142 L143 A205 A208 | V135-S139 VanDerWaalsContact O-CB 3.27Å; V135-S139 WeakPolarHBondContact O-CB 3.43Å; V135-S139 PolarHBondContact O-N 3.45Å; V135-S139 PolarHBondContact O-OG 3.43Å; D136-S139 PolarHBondContact O-N 3.39Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 3Å; S139-L142 PolarHBondContact O-N 3.1Å; S139-L143 WeakPolarHBondContact O-CB 3.29Å; S139-L143 PolarHBondContact O-N 3.15Å; S139-A205 VanDerWaalsContact OG-CA 3.25Å; S139-A205 WeakPolarHBondContact OG-CA 3.35Å; S139-A205 WeakPolarHBondContact OG-CB 3.48Å; S139-A208 WeakPolarHBondContact O-CB 3.43Å |
| 140 | L | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 175.6 | -173.2 | 70.7 | 0 | 0 | 0 | 111.5 | R45 I48 Y49 D136 A137 F144 M204 P266 | R45-L140 HydrophobicContact CB-CD2 4.34Å; R45-L140 HydrophobicContact CG-CD2 3.92Å; I48-L140 HydrophobicContact CB-CD2 4.04Å; I48-L140 HydrophobicContact CB-CG 4.34Å; I48-L140 HydrophobicContact CD1-CB 4.32Å; I48-L140 HydrophobicContact CD1-CD2 4.21Å; I48-L140 HydrophobicContact CD1-CG 4.17Å; I48-L140 HydrophobicContact CG2-CD2 4.05Å; I48-L140 HydrophobicContact CG2-CG 3.9Å; Y49-L140 HydrophobicContact CD2-CD2 3.72Å; Y49-L140 HydrophobicContact CE1-CD1 4.49Å; Y49-L140 HydrophobicContact CE2-CD1 4.37Å; Y49-L140 HydrophobicContact CE2-CD2 3.43Å; Y49-L140 VanDerWaalsContact CE2-CD2 3.43Å; Y49-L140 HydrophobicContact CG-CD2 4.44Å; D136-L140 VanDerWaalsContact O-CB 3.25Å; D136-L140 WeakPolarHBondContact O-CB 3.38Å; D136-L140 PolarHBondContact O-N 3Å; A137-L140 PolarHBondContact O-N 3.3Å; L140-F144 HydrophobicContact CD1-CD2 3.76Å; L140-F144 HydrophobicContact CD1-CE2 3.64Å; L140-F144 HydrophobicContact CG-CD2 4.12Å; L140-F144 HydrophobicContact CG-CE2 4.42Å; L140-F144 PolarHBondContact O-N 3.26Å; L140-M204 HydrophobicContact CB-CG 4.16Å; L140-M204 HydrophobicContact CB-SD 4.33Å; L140-M204 HydrophobicContact CD1-CE 3.97Å; L140-M204 HydrophobicContact CD1-SD 3.71Å; L140-P266 HydrophobicContact CD1-CG 4.16Å |
| 141 | F | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 174.1 | 173.2 | -101.5 | 0 | 0 | 0 | 111.2 | I48 M85 L88 L89 M92 A137 T138 S139 F144 L145 I165 L168 | I48-F141 VanDerWaalsContact CD1-CA 3.47Å; I48-F141 HydrophobicContact CD1-CB 3.72Å; I48-F141 HydrophobicContact CD1-CD2 4.45Å; M85-F141 HydrophobicContact CE-CD2 3.61Å; M85-F141 HydrophobicContact CE-CE2 3.6Å; M85-F141 HydrophobicContact SD-CD2 4.36Å; M85-F141 HydrophobicContact SD-CE2 4.37Å; L88-F141 HydrophobicContact CB-CD2 4.14Å; L88-F141 HydrophobicContact CB-CE2 3.96Å; L88-F141 HydrophobicContact CD1-CD2 4.2Å; L89-F141 HydrophobicContact CB-CZ 4.11Å; L89-F141 HydrophobicContact CD1-CZ 4.46Å; M92-F141 HydrophobicContact CE-CB 4.06Å; M92-F141 HydrophobicContact CE-CD1 4.2Å; M92-F141 HydrophobicContact CE-CG 4.02Å; M92-F141 HydrophobicContact SD-CD1 3.96Å; M92-F141 HydrophobicContact SD-CE1 4.21Å; M92-F141 HydrophobicContact SD-CG 4.34Å; A137-F141 PolarHBondContact O-N 3.49Å; A137-F141 VanDerWaalsContact O-N 3.16Å; T138-F141 WeakPolarHBondContact O-CB 3.25Å; T138-F141 PolarHBondContact O-N 3.32Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 3Å; F141-F144 PolarHBondContact O-N 2.83Å; F141-L145 HydrophobicContact CE1-CD2 4.3Å; F141-L145 VanDerWaalsContact O-CB 3.23Å; F141-L145 WeakPolarHBondContact O-CB 3.16Å; F141-L145 PolarHBondContact O-N 3.05Å; F141-I165 HydrophobicContact CE1-CD1 3.99Å; F141-L168 HydrophobicContact CD1-CD1 4.49Å; F141-L168 HydrophobicContact CE1-CD1 4.39Å |
| 142 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.4 | -68.5 | 177.4 | 0 | 0 | 0 | 112.4 | T138 S139 F144 L145 A146 I165 L168 I172 A208 I212 | T138-L142 PolarHBondContact O-N 3.35Å; T138-L142 VanDerWaalsContact O-N 3.16Å; S139-L142 PolarHBondContact O-N 3.1Å; L142-F144 PolarHBondContact O-N 3.37Å; L142-L145 HydrophobicContact CD2-CD2 4.34Å; L142-L145 WeakPolarHBondContact O-CB 3.5Å; L142-L145 PolarHBondContact O-N 3.37Å; L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 3.03Å; L142-I165 HydrophobicContact CD2-CD1 4.23Å; L142-I165 HydrophobicContact CD2-CG2 3.91Å; L142-L168 HydrophobicContact CD1-CB 4.11Å; L142-L168 HydrophobicContact CD2-CB 4.22Å; L142-L168 HydrophobicContact CD2-CD1 4.29Å; L142-I172 HydrophobicContact CD1-CD1 3.66Å; L142-I172 HydrophobicContact CD1-CG1 4.05Å; L142-A208 HydrophobicContact CB-CB 4.04Å; L142-I212 HydrophobicContact CB-CD1 4.48Å; L142-I212 HydrophobicContact CD2-CD1 3.93Å |
| 143 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 175.5 | 175.5 | 60.8 | 0 | 0 | 0 | 111.2 | S139 A146 Q147 M204 A207 A208 A211 P266 A267 | S139-L143 WeakPolarHBondContact O-CB 3.29Å; S139-L143 PolarHBondContact O-N 3.15Å; L143-A146 WeakPolarHBondContact O-CB 3.28Å; L143-A146 PolarHBondContact O-N 3.42Å; L143-Q147 HydrophobicContact CD1-CG 4.32Å; L143-Q147 VanDerWaalsContact O-CG 3.31Å; L143-Q147 WeakPolarHBondContact O-CG 3.08Å; L143-Q147 PolarHBondContact O-N 3.15Å; L143-M204 HydrophobicContact CD2-SD 3.66Å; L143-A207 HydrophobicContact CD1-CB 4.47Å; L143-A207 HydrophobicContact CD2-CB 4.39Å; L143-A208 HydrophobicContact CB-CB 4.19Å; L143-A211 HydrophobicContact CD1-CB 3.61Å; L143-P266 HydrophobicContact CD2-CB 4.3Å; L143-P266 HydrophobicContact CD2-CG 4.43Å; L143-A267 HydrophobicContact CD2-CB 4.4Å |
| 144 | F | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -78.7 | -26.7 | -179.8 | -83.5 | -71.1 | 0 | 0 | 0 | 113.7 | I48 L52 W55 M85 L140 F141 L142 A146 Q147 M148 F265 P266 | I48-F144 HydrophobicContact CG2-CB 3.96Å; I48-F144 HydrophobicContact CG2-CD2 3.48Å; I48-F144 VanDerWaalsContact CG2-CD2 3.48Å; I48-F144 HydrophobicContact CG2-CE2 4.25Å; I48-F144 HydrophobicContact CG2-CG 3.9Å; L52-F144 HydrophobicContact CD1-CE1 3.99Å; L52-F144 HydrophobicContact CD1-CE2 3.96Å; L52-F144 HydrophobicContact CD1-CZ 3.44Å; L52-F144 VanDerWaalsContact CD1-CZ 3.44Å; L52-F144 HydrophobicContact CD2-CD1 3.5Å; L52-F144 VanDerWaalsContact CD2-CD1 3.5Å; L52-F144 HydrophobicContact CD2-CD2 4.28Å; L52-F144 HydrophobicContact CD2-CE1 3.26Å; L52-F144 HydrophobicContact CD2-CE2 4.06Å; L52-F144 HydrophobicContact CD2-CG 4.01Å; L52-F144 HydrophobicContact CD2-CZ 3.55Å; L52-F144 HydrophobicContact CG-CE1 4.27Å; L52-F144 HydrophobicContact CG-CZ 4.14Å; W55-F144 HydrophobicContact CZ3-CD1 4.25Å; W55-F144 AromaticContact CZ3-CE1 3.96Å; W55-F144 HydrophobicContact CZ3-CE1 3.96Å; M85-F144 HydrophobicContact CE-CB 4.45Å; L140-F144 HydrophobicContact CD1-CD2 3.76Å; L140-F144 HydrophobicContact CD1-CE2 3.64Å; L140-F144 HydrophobicContact CG-CD2 4.12Å; L140-F144 HydrophobicContact CG-CE2 4.42Å; L140-F144 PolarHBondContact O-N 3.26Å; F141-F144 PolarHBondContact O-N 2.83Å; L142-F144 PolarHBondContact O-N 3.37Å; F144-A146 VanDerWaalsContact C-N 3.25Å; F144-A146 PolarHBondContact O-N 3.33Å; F144-Q147 HydrophobicContact CD1-CB 4.37Å; F144-M148 HydrophobicContact CB-CE 4.3Å; F144-M148 HydrophobicContact CD1-CE 4.27Å; F144-M148 WeakPolarHBondContact O-CB 3.13Å; F144-M148 WeakPolarHBondContact O-CG 3.25Å; F144-M148 PolarHBondContact O-N 3.36Å; F144-F265 HydrophobicContact CE1-CZ 4.47Å; F144-F265 HydrophobicContact CZ-CZ 4.07Å; F144-P266 HydrophobicContact CE2-CB 3.78Å; F144-P266 HydrophobicContact CE2-CG 4.01Å; F144-P266 HydrophobicContact CZ-CB 3.56Å; F144-P266 HydrophobicContact CZ-CG 4.25Å |
| 145 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | 165.9 | 176.6 | 64.4 | 0 | 0 | 0 | 109.9 | M85 F141 L142 T149 I155 I156 I165 L217 | M85-L145 HydrophobicContact CE-CB 4.3Å; F141-L145 HydrophobicContact CE1-CD2 4.3Å; F141-L145 VanDerWaalsContact O-CB 3.23Å; F141-L145 WeakPolarHBondContact O-CB 3.16Å; F141-L145 PolarHBondContact O-N 3.05Å; L142-L145 HydrophobicContact CD2-CD2 4.34Å; L142-L145 WeakPolarHBondContact O-CB 3.5Å; L142-L145 PolarHBondContact O-N 3.37Å; L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.42Å; L145-T149 PolarHBondContact O-N 3.22Å; L145-T149 PolarHBondContact O-OG1 3.42Å; L145-I155 HydrophobicContact CD1-CB 3.8Å; L145-I155 HydrophobicContact CD1-CD1 3.95Å; L145-I155 HydrophobicContact CD1-CG1 4.48Å; L145-I155 HydrophobicContact CD1-CG2 3.64Å; L145-I156 HydrophobicContact CD1-CD1 4.12Å; L145-I156 HydrophobicContact CD1-CG1 4.07Å; L145-I156 HydrophobicContact CD2-CD1 4.32Å; L145-I156 HydrophobicContact CD2-CG1 4.46Å; L145-I165 HydrophobicContact CD2-CD1 3.67Å; L145-I165 HydrophobicContact CD2-CG1 4.04Å; L145-I165 HydrophobicContact CD2-CG2 4.16Å; L145-L217 HydrophobicContact CD2-CD2 4.24Å; L145-L217 HydrophobicContact CG-CD2 4.45Å |
| 146 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -52.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L142 L143 F144 M148 T149 A150 A211 I212 L215 L426 | L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 3.03Å; L143-A146 WeakPolarHBondContact O-CB 3.28Å; L143-A146 PolarHBondContact O-N 3.42Å; F144-A146 VanDerWaalsContact C-N 3.25Å; F144-A146 PolarHBondContact O-N 3.33Å; A146-M148 PolarHBondContact O-N 2.98Å; A146-T149 PolarHBondContact O-N 2.59Å; A146-A150 WeakPolarHBondContact O-CB 3.23Å; A146-A150 PolarHBondContact O-N 2.89Å; A146-A211 HydrophobicContact CB-CB 3.92Å; A146-A211 WeakPolarHBondContact CB-O 3.44Å; A146-I212 HydrophobicContact CB-CB 4.42Å; A146-L215 VanDerWaalsContact CA-CD2 3.46Å; A146-L215 HydrophobicContact CB-CD2 3.64Å; A146-L426 HydrophobicContact CB-CD1 3.82Å |
| 147 | Q | 97.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.5 | -65.4 | -75.9 | 16.5 | 0 | 0 | 112.1 | W55 L143 F144 A150 S151 D424 P425 L426 | W55-Q147 HydrophobicContact CH2-CB 4.22Å; L143-Q147 HydrophobicContact CD1-CG 4.32Å; L143-Q147 VanDerWaalsContact O-CG 3.31Å; L143-Q147 WeakPolarHBondContact O-CG 3.08Å; L143-Q147 PolarHBondContact O-N 3.15Å; F144-Q147 HydrophobicContact CD1-CB 4.37Å; Q147-A150 PolarHBondContact O-N 3.46Å; Q147-S151 PolarHBondContact O-N 3.04Å; Q147-D424 PolarHBondContact NE2-OD1 2.69Å; Q147-P425 HydrophobicContact CB-CG 4.48Å; Q147-P425 VanDerWaalsContact O-CG 3.25Å; Q147-P425 WeakPolarHBondContact O-CG 3.29Å; Q147-P425 VanDerWaalsContact OE1-CG 3.29Å; Q147-L426 HydrophobicContact CG-CD1 4.3Å; Q147-L426 VanDerWaalsContact OE1-N 3.15Å |
| 148 | M | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.9 | -39.2 | 179.1 | -71.6 | 177.1 | -176.3 | 0 | 0 | 112 | I51 L52 W55 V81 M85 F144 A146 S151 G152 L153 I155 | I51-M148 HydrophobicContact CG2-CE 3.98Å; L52-M148 HydrophobicContact CD2-CE 4.07Å; W55-M148 HydrophobicContact CB-CE 4.3Å; W55-M148 HydrophobicContact CD2-CE 4.23Å; W55-M148 HydrophobicContact CD2-CG 4.19Å; W55-M148 HydrophobicContact CE3-CE 4.35Å; W55-M148 HydrophobicContact CG-CE 4.22Å; W55-M148 HydrophobicContact CG-CG 4.48Å; W55-M148 HydrophobicContact CZ2-CG 4.28Å; V81-M148 HydrophobicContact CG1-CE 3.71Å; V81-M148 HydrophobicContact CG1-SD 3.52Å; V81-M148 VanDerWaalsContact CG1-SD 3.52Å; M85-M148 HydrophobicContact CE-SD 4.37Å; M85-M148 HydrophobicContact CG-SD 3.8Å; M85-M148 HydrophobicContact SD-SD 4.22Å; F144-M148 HydrophobicContact CB-CE 4.3Å; F144-M148 HydrophobicContact CD1-CE 4.27Å; F144-M148 WeakPolarHBondContact O-CB 3.13Å; F144-M148 WeakPolarHBondContact O-CG 3.25Å; F144-M148 PolarHBondContact O-N 3.36Å; A146-M148 PolarHBondContact O-N 2.98Å; M148-S151 PolarHBondContact O-N 3.47Å; M148-S151 PolarHBondContact O-OG 3.35Å; M148-G152 PolarHBondContact O-N 3.48Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CB-CD1 4.08Å; M148-L153 HydrophobicContact CG-CD1 4.29Å; M148-L153 WeakPolarHBondContact O-CB 3.33Å; M148-L153 PolarHBondContact O-N 3.12Å; M148-I155 HydrophobicContact CB-CD1 3.75Å; M148-I155 HydrophobicContact SD-CD1 4.22Å |
| 149 | T | 96.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 111 | L145 A146 S151 G152 L153 | L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.42Å; L145-T149 PolarHBondContact O-N 3.22Å; L145-T149 PolarHBondContact O-OG1 3.42Å; A146-T149 PolarHBondContact O-N 2.59Å; T149-S151 PolarHBondContact O-N 3.1Å; T149-G152 WeakPolarHBondContact O-CA 3.22Å; T149-G152 PolarHBondContact O-N 3.48Å; T149-L153 WeakPolarHBondContact CA-O 3.42Å |
| 150 | A | 95.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.2 | -29.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A146 Q147 G152 P425 L426 | A146-A150 WeakPolarHBondContact O-CB 3.23Å; A146-A150 PolarHBondContact O-N 2.89Å; Q147-A150 PolarHBondContact O-N 3.46Å; A150-G152 PolarHBondContact O-N 2.79Å; A150-P425 HydrophobicContact CB-CB 4.14Å; A150-P425 HydrophobicContact CB-CG 3.97Å; A150-L426 HydrophobicContact CB-CD2 3.65Å; A150-L426 HydrophobicContact CB-CG 3.93Å |
| 151 | S | 94.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 28 Ų | 28 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.2 | 172.6 | 82.1 | 0 | 0 | 0 | 0 | 114.5 | W55 R62 Q147 M148 T149 | W55-S151 PolarHBondContact NE1-OG 3.27Å; R62-S151 PolarHBondContact NH1-O 3.17Å; Q147-S151 PolarHBondContact O-N 3.04Å; M148-S151 PolarHBondContact O-N 3.47Å; M148-S151 PolarHBondContact O-OG 3.35Å; T149-S151 PolarHBondContact O-N 3.1Å |
| 152 | G | 93.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 28.4 Ų | 28.4 | 60% | 0.598 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97 | 9.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | M148 T149 A150 | M148-G152 PolarHBondContact O-N 3.48Å; T149-G152 WeakPolarHBondContact O-CA 3.22Å; T149-G152 PolarHBondContact O-N 3.48Å; A150-G152 PolarHBondContact O-N 2.79Å |
| 153 | L | 94.8 | Very high | 96 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | trans | -80 | 130.7 | 173.5 | -62.6 | -174 | 0 | 0 | 0 | 110.8 | E78 V81 V82 M148 T149 I155 | E78-L153 HydrophobicContact CB-CD2 3.8Å; E78-L153 HydrophobicContact CG-CD2 3.9Å; V81-L153 HydrophobicContact CB-CD1 4.34Å; V81-L153 HydrophobicContact CG1-CD1 4.01Å; V82-L153 HydrophobicContact CG2-CB 4.27Å; V82-L153 HydrophobicContact CG2-CD2 4.43Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CB-CD1 4.08Å; M148-L153 HydrophobicContact CG-CD1 4.29Å; M148-L153 WeakPolarHBondContact O-CB 3.33Å; M148-L153 PolarHBondContact O-N 3.12Å; T149-L153 WeakPolarHBondContact CA-O 3.42Å; L153-I155 HydrophobicContact CB-CG1 4.41Å | ||
| 154 | R | 93.6 | Very high | 96 | Very high | 148 Ų | 148 | 29 Ų | 29 | 56% | 0.558 | 16% | 0.164 | S | C | * | . | trans | -92.4 | 104.1 | 174.9 | -165 | -172.7 | 176.6 | 178.7 | -1.2 | 109.9 | F157 | R154-F157 HydrophobicContact CB-CE1 4.3Å; R154-F157 HydrophobicContact CG-CD1 4.01Å; R154-F157 HydrophobicContact CG-CE1 3.78Å; R154-F157 WeakPolarHBondContact O-CE1 3.27Å | ||
| 155 | I | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -104.3 | -40.4 | -177.8 | -62 | 168.6 | 0 | 0 | 0 | 111.6 | V82 M85 R86 L145 M148 L153 | V82-I155 HydrophobicContact CG2-CG1 4.39Å; M85-I155 HydrophobicContact CB-CD1 4.1Å; M85-I155 HydrophobicContact CB-CG1 4.47Å; M85-I155 HydrophobicContact CB-CG2 3.92Å; M85-I155 HydrophobicContact CG-CD1 4.16Å; R86-I155 HydrophobicContact CG-CG2 4.15Å; R86-I155 WeakPolarHBondContact CG-O 3.15Å; R86-I155 PolarHBondContact NH1-O 3.3Å; L145-I155 HydrophobicContact CD1-CB 3.8Å; L145-I155 HydrophobicContact CD1-CD1 3.95Å; L145-I155 HydrophobicContact CD1-CG1 4.48Å; L145-I155 HydrophobicContact CD1-CG2 3.64Å; M148-I155 HydrophobicContact CB-CD1 3.75Å; M148-I155 HydrophobicContact SD-CD1 4.22Å; L153-I155 HydrophobicContact CB-CG1 4.41Å | ||
| 156 | I | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -96 | 137 | -179.9 | -52.9 | -59 | 0 | 0 | 0 | 110 | L89 L145 E161 V162 I165 L217 F218 | L89-I156 HydrophobicContact CD2-CD1 3.62Å; L145-I156 HydrophobicContact CD1-CD1 4.12Å; L145-I156 HydrophobicContact CD1-CG1 4.07Å; L145-I156 HydrophobicContact CD2-CD1 4.32Å; L145-I156 HydrophobicContact CD2-CG1 4.46Å; I156-E161 HydrophobicContact CG2-CB 3.69Å; I156-V162 HydrophobicContact CG2-CG2 3.96Å; I156-I165 HydrophobicContact CD1-CD1 4.34Å; I156-I165 HydrophobicContact CD1-CG1 4.03Å; I156-L217 HydrophobicContact CB-CB 4.11Å; I156-L217 HydrophobicContact CG1-CB 4.12Å; I156-L217 HydrophobicContact CG1-CD1 4.31Å; I156-L217 HydrophobicContact CG2-CB 4.31Å; I156-F218 HydrophobicContact CG2-CD1 4.46Å; I156-F218 HydrophobicContact CG2-CE1 4.01Å; I156-F218 WeakPolarHBondContact O-CD1 3.41Å | ||
| 157 | F | 94.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 29.2 Ų | 29.2 | 37% | 0.368 | 17% | 0.165 | S | C | . | . | trans | -123.9 | -21.6 | -171.1 | -60.9 | -26.2 | 0 | 0 | 0 | 114.5 | R86 R154 E161 | R86-F157 VanDerWaalsContact CD-CE2 3.49Å; R154-F157 HydrophobicContact CB-CE1 4.3Å; R154-F157 HydrophobicContact CG-CD1 4.01Å; R154-F157 HydrophobicContact CG-CE1 3.78Å; R154-F157 WeakPolarHBondContact O-CE1 3.27Å; F157-E161 WeakPolarHBondContact CA-OE2 3.48Å; F157-E161 PolarHBondContact N-OE2 3Å | ||
| 158 | T | 94.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 29 Ų | 29 | 37% | 0.368 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -130.2 | 156.5 | -175.2 | 65.2 | 0 | 0 | 0 | 0 | 112.5 | D160 E161 V162 | T158-D160 VanDerWaalsContact C-N 3.28Å; T158-D160 PolarHBondContact O-N 2.79Å; T158-E161 PolarHBondContact N-OE2 3.33Å; T158-E161 PolarHBondContact O-N 3.41Å; T158-E161 WeakPolarHBondContact OG1-CB 3.48Å; T158-E161 VanDerWaalsContact OG1-CG 3.23Å; T158-E161 WeakPolarHBondContact OG1-CG 3.41Å; T158-E161 PolarHBondContact OG1-N 2.85Å; T158-E161 VanDerWaalsContact OG1-N 3.15Å; T158-E161 PolarHBondContact OG1-OE2 2.81Å; T158-V162 WeakPolarHBondContact O-CG2 3.44Å; T158-V162 PolarHBondContact O-N 3.16Å; T158-V162 VanDerWaalsContact O-N 3.1Å |
| 159 | L | 92.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 29 Ų | 29 | 47% | 0.471 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.8 | -26.9 | 174.5 | -68.4 | 176.7 | 0 | 0 | 0 | 112.4 | V162 A163 F218 K225 | L159-V162 HydrophobicContact CD2-CG2 4.46Å; L159-V162 WeakPolarHBondContact O-CB 3.37Å; L159-V162 PolarHBondContact O-N 2.79Å; L159-A163 PolarHBondContact O-N 3.5Å; L159-F218 HydrophobicContact CD2-CE2 4.05Å; L159-F218 HydrophobicContact CD2-CZ 4.22Å; L159-K225 HydrophobicContact CD2-CB 4.13Å |
| 160 | D | 95 | Very high | 95.9 | Very high | 58 Ų | 58 | 29 Ų | 29 | 31% | 0.31 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 170.6 | -65.6 | -47 | 0 | 0 | 0 | 110.5 | T158 V162 A163 F164 N489 N491 M492 | T158-D160 VanDerWaalsContact C-N 3.28Å; T158-D160 PolarHBondContact O-N 2.79Å; D160-V162 VanDerWaalsContact C-N 3.3Å; D160-V162 PolarHBondContact O-N 3.1Å; D160-A163 PolarHBondContact O-N 2.95Å; D160-F164 PolarHBondContact O-N 2.88Å; D160-N489 PolarHBondContact OD1-ND2 3.29Å; D160-N491 PolarHBondContact OD1-ND2 3.34Å; D160-M492 HydrophobicContact CB-CE 4.04Å; D160-M492 WeakPolarHBondContact O-CE 3.43Å |
| 161 | E | 96.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -38.1 | 173.6 | -71.3 | 166.5 | 151.8 | 0 | 0 | 111.4 | R86 L89 M93 I156 F157 T158 F164 I165 | R86-E161 IonicContact CZ-OE1 3.48Å; R86-E161 IonicContact NH1-OE1 3.27Å; R86-E161 PolarHBondContact NH1-OE1 2.81Å; R86-E161 IonicContact NH1-OE2 3.56Å; R86-E161 IonicContact NH2-OE1 3.47Å; R86-E161 PolarHBondContact NH2-OE1 2.86Å; L89-E161 HydrophobicContact CD2-CG 4.14Å; M93-E161 HydrophobicContact CE-CG 4.04Å; M93-E161 HydrophobicContact SD-CG 3.9Å; I156-E161 HydrophobicContact CG2-CB 3.69Å; F157-E161 WeakPolarHBondContact CA-OE2 3.48Å; F157-E161 PolarHBondContact N-OE2 3Å; T158-E161 PolarHBondContact N-OE2 3.33Å; T158-E161 PolarHBondContact O-N 3.41Å; T158-E161 WeakPolarHBondContact OG1-CB 3.48Å; T158-E161 VanDerWaalsContact OG1-CG 3.23Å; T158-E161 WeakPolarHBondContact OG1-CG 3.41Å; T158-E161 PolarHBondContact OG1-N 2.85Å; T158-E161 VanDerWaalsContact OG1-N 3.15Å; T158-E161 PolarHBondContact OG1-OE2 2.81Å; E161-F164 WeakPolarHBondContact O-CB 3.39Å; E161-F164 PolarHBondContact O-N 2.93Å; E161-I165 WeakPolarHBondContact O-CG1 3.46Å; E161-I165 PolarHBondContact O-N 3.48Å |
| 162 | V | 96.3 | Very high | 96 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 173.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | I156 T158 L159 D160 F164 I165 Q166 L217 F218 I228 | I156-V162 HydrophobicContact CG2-CG2 3.96Å; T158-V162 WeakPolarHBondContact O-CG2 3.44Å; T158-V162 PolarHBondContact O-N 3.16Å; T158-V162 VanDerWaalsContact O-N 3.1Å; L159-V162 HydrophobicContact CD2-CG2 4.46Å; L159-V162 WeakPolarHBondContact O-CB 3.37Å; L159-V162 PolarHBondContact O-N 2.79Å; D160-V162 VanDerWaalsContact C-N 3.3Å; D160-V162 PolarHBondContact O-N 3.1Å; V162-F164 VanDerWaalsContact C-N 3.27Å; V162-F164 PolarHBondContact O-N 3.2Å; V162-I165 PolarHBondContact O-N 2.95Å; V162-I165 VanDerWaalsContact O-N 3.17Å; V162-Q166 PolarHBondContact O-N 3.13Å; V162-L217 HydrophobicContact CB-CD1 4.41Å; V162-L217 HydrophobicContact CG1-CD1 4.31Å; V162-L217 HydrophobicContact CG2-CB 4.32Å; V162-L217 HydrophobicContact CG2-CD1 4.16Å; V162-F218 HydrophobicContact CG2-CE1 4.16Å; V162-F218 HydrophobicContact CG2-CZ 4.15Å; V162-I228 HydrophobicContact CG1-CD1 4.06Å |
| 163 | A | 95.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L159 D160 Q166 N167 N489 M492 | L159-A163 PolarHBondContact O-N 3.5Å; D160-A163 PolarHBondContact O-N 2.95Å; A163-Q166 PolarHBondContact O-N 3.17Å; A163-N167 PolarHBondContact O-N 2.8Å; A163-N167 PolarHBondContact O-ND2 3.49Å; A163-N489 HydrophobicContact CB-CB 3.91Å; A163-M492 HydrophobicContact CB-CE 4.26Å |
| 164 | F | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.3 | -178.6 | -101.6 | 0 | 0 | 0 | 111.8 | L89 M92 M93 V96 V99 D160 E161 V162 Q166 N167 L168 M492 L494 | L89-F164 HydrophobicContact CD1-CD1 3.77Å; L89-F164 HydrophobicContact CD1-CE1 3.95Å; M92-F164 VanDerWaalsContact C-CZ 3.44Å; M92-F164 HydrophobicContact CB-CE1 3.85Å; M92-F164 HydrophobicContact CB-CZ 3.77Å; M93-F164 HydrophobicContact CB-CE1 4.47Å; M93-F164 HydrophobicContact CB-CZ 4.42Å; M93-F164 HydrophobicContact CG-CD1 3.5Å; M93-F164 VanDerWaalsContact CG-CD1 3.5Å; M93-F164 HydrophobicContact CG-CD2 4.08Å; M93-F164 HydrophobicContact CG-CE1 3.58Å; M93-F164 HydrophobicContact CG-CE2 4.17Å; M93-F164 HydrophobicContact CG-CG 3.76Å; M93-F164 HydrophobicContact CG-CZ 3.95Å; M93-F164 HydrophobicContact SD-CD1 4.48Å; V96-F164 HydrophobicContact CB-CE2 4.24Å; V96-F164 HydrophobicContact CG2-CD2 4Å; V96-F164 HydrophobicContact CG2-CE2 4.08Å; V99-F164 HydrophobicContact CG2-CE2 3.97Å; V99-F164 HydrophobicContact CG2-CZ 4.2Å; D160-F164 PolarHBondContact O-N 2.88Å; E161-F164 WeakPolarHBondContact O-CB 3.39Å; E161-F164 PolarHBondContact O-N 2.93Å; V162-F164 VanDerWaalsContact C-N 3.27Å; V162-F164 PolarHBondContact O-N 3.2Å; F164-Q166 VanDerWaalsContact C-N 3.32Å; F164-Q166 PolarHBondContact O-N 3.41Å; F164-N167 PolarHBondContact O-N 3.49Å; F164-N167 VanDerWaalsContact O-N 3.08Å; F164-L168 HydrophobicContact CD1-CD1 4.19Å; F164-L168 HydrophobicContact CD1-CG 4.26Å; F164-L168 HydrophobicContact CE1-CD1 3.64Å; F164-L168 HydrophobicContact CE1-CD2 4.15Å; F164-L168 HydrophobicContact CE1-CG 3.84Å; F164-L168 HydrophobicContact CZ-CD1 4.28Å; F164-L168 HydrophobicContact CZ-CD2 3.96Å; F164-L168 HydrophobicContact CZ-CG 4.13Å; F164-L168 PolarHBondContact O-N 3.49Å; F164-M492 HydrophobicContact CB-CE 4.03Å; F164-M492 HydrophobicContact CB-SD 4.24Å; F164-L494 HydrophobicContact CD2-CD1 4.5Å |
| 165 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 175.6 | -65 | -57.6 | 0 | 0 | 0 | 111.2 | L89 F141 L142 L145 I156 E161 V162 N167 L168 V169 I212 L217 I228 | L89-I165 HydrophobicContact CD1-CD1 3.89Å; F141-I165 HydrophobicContact CE1-CD1 3.99Å; L142-I165 HydrophobicContact CD2-CD1 4.23Å; L142-I165 HydrophobicContact CD2-CG2 3.91Å; L145-I165 HydrophobicContact CD2-CD1 3.67Å; L145-I165 HydrophobicContact CD2-CG1 4.04Å; L145-I165 HydrophobicContact CD2-CG2 4.16Å; I156-I165 HydrophobicContact CD1-CD1 4.34Å; I156-I165 HydrophobicContact CD1-CG1 4.03Å; E161-I165 WeakPolarHBondContact O-CG1 3.46Å; E161-I165 PolarHBondContact O-N 3.48Å; V162-I165 PolarHBondContact O-N 2.95Å; V162-I165 VanDerWaalsContact O-N 3.17Å; I165-N167 VanDerWaalsContact C-N 3.25Å; I165-N167 PolarHBondContact O-N 3.01Å; I165-L168 HydrophobicContact CD1-CD1 4.08Å; I165-L168 WeakPolarHBondContact O-CB 3.1Å; I165-L168 PolarHBondContact O-N 3.08Å; I165-V169 PolarHBondContact O-N 3.15Å; I165-I212 HydrophobicContact CG2-CD1 3.54Å; I165-L217 HydrophobicContact CB-CD1 3.81Å; I165-L217 HydrophobicContact CG1-CD1 4.05Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I165-I228 HydrophobicContact CB-CD1 4.36Å; I165-I228 HydrophobicContact CG2-CD1 4.05Å; I165-I228 HydrophobicContact CG2-CG1 4.25Å |
| 166 | Q | 97.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -34.5 | 174.2 | -173.8 | 63 | 71 | 0 | 0 | 112.1 | V162 A163 F164 V169 F170 I228 H229 L486 | V162-Q166 PolarHBondContact O-N 3.13Å; A163-Q166 PolarHBondContact O-N 3.17Å; F164-Q166 VanDerWaalsContact C-N 3.32Å; F164-Q166 PolarHBondContact O-N 3.41Å; Q166-V169 WeakPolarHBondContact O-CB 3.34Å; Q166-V169 PolarHBondContact O-N 2.59Å; Q166-F170 HydrophobicContact CG-CE2 4.02Å; Q166-F170 HydrophobicContact CG-CZ 3.74Å; Q166-F170 WeakPolarHBondContact O-CD2 3.38Å; Q166-F170 WeakPolarHBondContact O-CG 3.24Å; Q166-F170 PolarHBondContact O-N 3.07Å; Q166-I228 HydrophobicContact CB-CD1 3.89Å; Q166-H229 PolarHBondContact NE2-O 2.83Å; Q166-L486 HydrophobicContact CG-CD1 4.22Å; Q166-L486 HydrophobicContact CG-CD2 4.36Å; Q166-L486 HydrophobicContact CG-CG 3.93Å |
| 167 | N | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -76.3 | -28.3 | 173.5 | -78.5 | -95.3 | 0 | 0 | 0 | 113.1 | V99 K103 A163 F164 I165 V169 F170 Y171 G487 L494 | V99-N167 HydrophobicContact CG1-CB 4.06Å; K103-N167 PolarHBondContact NZ-OD1 2.77Å; A163-N167 PolarHBondContact O-N 2.8Å; A163-N167 PolarHBondContact O-ND2 3.49Å; F164-N167 PolarHBondContact O-N 3.49Å; F164-N167 VanDerWaalsContact O-N 3.08Å; I165-N167 VanDerWaalsContact C-N 3.25Å; I165-N167 PolarHBondContact O-N 3.01Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-F170 HydrophobicContact CB-CD2 4.47Å; N167-F170 PolarHBondContact O-N 3.31Å; N167-Y171 PolarHBondContact O-N 3.21Å; N167-G487 PolarHBondContact ND2-O 2.69Å; N167-L494 HydrophobicContact CB-CD1 4.27Å; N167-L494 HydrophobicContact CB-CD2 4.32Å |
| 168 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.4 | -31 | 168.8 | -68.9 | -173.5 | 0 | 0 | 0 | 112.1 | M92 V99 L112 T138 F141 L142 F164 I165 Y171 I172 | M92-L168 HydrophobicContact SD-CD1 3.95Å; V99-L168 HydrophobicContact CG1-CD2 4.28Å; V99-L168 HydrophobicContact CG2-CD2 3.97Å; L112-L168 HydrophobicContact CD1-CD2 3.8Å; T138-L168 HydrophobicContact CG2-CD2 4.41Å; F141-L168 HydrophobicContact CD1-CD1 4.49Å; F141-L168 HydrophobicContact CE1-CD1 4.39Å; L142-L168 HydrophobicContact CD1-CB 4.11Å; L142-L168 HydrophobicContact CD2-CB 4.22Å; L142-L168 HydrophobicContact CD2-CD1 4.29Å; F164-L168 HydrophobicContact CD1-CD1 4.19Å; F164-L168 HydrophobicContact CD1-CG 4.26Å; F164-L168 HydrophobicContact CE1-CD1 3.64Å; F164-L168 HydrophobicContact CE1-CD2 4.15Å; F164-L168 HydrophobicContact CE1-CG 3.84Å; F164-L168 HydrophobicContact CZ-CD1 4.28Å; F164-L168 HydrophobicContact CZ-CD2 3.96Å; F164-L168 HydrophobicContact CZ-CG 4.13Å; F164-L168 PolarHBondContact O-N 3.49Å; I165-L168 HydrophobicContact CD1-CD1 4.08Å; I165-L168 WeakPolarHBondContact O-CB 3.1Å; I165-L168 PolarHBondContact O-N 3.08Å; L168-Y171 VanDerWaalsContact O-CB 3.3Å; L168-Y171 WeakPolarHBondContact O-CB 3.25Å; L168-Y171 PolarHBondContact O-N 2.98Å; L168-I172 PolarHBondContact O-N 3.4Å; L168-I172 VanDerWaalsContact O-N 3.15Å |
| 169 | V | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 169.1 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | I165 Q166 N167 Y171 I172 E173 L209 I212 I228 V230 | I165-V169 PolarHBondContact O-N 3.15Å; Q166-V169 WeakPolarHBondContact O-CB 3.34Å; Q166-V169 PolarHBondContact O-N 2.59Å; N167-V169 VanDerWaalsContact C-N 3.28Å; V169-Y171 PolarHBondContact O-N 3.4Å; V169-I172 WeakPolarHBondContact O-CG1 3.41Å; V169-I172 PolarHBondContact O-N 2.93Å; V169-I172 VanDerWaalsContact O-N 3.11Å; V169-E173 WeakPolarHBondContact O-CB 3.5Å; V169-E173 PolarHBondContact O-N 3.14Å; V169-L209 HydrophobicContact CG1-CD2 3.82Å; V169-I212 HydrophobicContact CG2-CD1 4.42Å; V169-I212 HydrophobicContact CG2-CG2 3.88Å; V169-I228 HydrophobicContact CG2-CG2 3.79Å; V169-V230 HydrophobicContact CG1-CG2 3.87Å |
| 170 | F | 96.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 10.1 Ų | 10.1 | 2% | 0.018 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.5 | -25.5 | 175.9 | -51.4 | -35.5 | 0 | 0 | 0 | 113.5 | K103 Q166 N167 L486 R497 | K103-F170 HydrophobicContact CD-CB 3.97Å; K103-F170 HydrophobicContact CD-CD2 4.24Å; K103-F170 HydrophobicContact CG-CB 4.17Å; Q166-F170 HydrophobicContact CG-CE2 4.02Å; Q166-F170 HydrophobicContact CG-CZ 3.74Å; Q166-F170 WeakPolarHBondContact O-CD2 3.38Å; Q166-F170 WeakPolarHBondContact O-CG 3.24Å; Q166-F170 PolarHBondContact O-N 3.07Å; N167-F170 HydrophobicContact CB-CD2 4.47Å; N167-F170 PolarHBondContact O-N 3.31Å; F170-L486 HydrophobicContact CE1-CD2 4.23Å; F170-L486 WeakPolarHBondContact CE2-O 3.23Å; F170-L486 HydrophobicContact CZ-CB 4.28Å; F170-L486 HydrophobicContact CZ-CD2 3.88Å; F170-L486 HydrophobicContact CZ-CG 3.91Å; F170-R497 HydrophobicContact CD1-CB 4.27Å; F170-R497 HydrophobicContact CD1-CG 3.91Å; F170-R497 HydrophobicContact CD2-CB 4.18Å; F170-R497 HydrophobicContact CE1-CB 3.85Å; F170-R497 HydrophobicContact CE1-CG 3.78Å; F170-R497 HydrophobicContact CE2-CB 3.75Å; F170-R497 HydrophobicContact CE2-CG 4.43Å; F170-R497 HydrophobicContact CG-CB 4.44Å; F170-R497 HydrophobicContact CG-CG 4.31Å; F170-R497 HydrophobicContact CZ-CB 3.57Å; F170-R497 HydrophobicContact CZ-CG 4.06Å |
| 171 | Y | 95.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 173.1 | -175.6 | -79.5 | 0 | 0 | 0 | 111.6 | V99 F102 S111 L112 T138 N167 L168 V169 | V99-Y171 HydrophobicContact CG1-CD2 4.43Å; F102-Y171 HydrophobicContact CB-CD2 3.87Å; F102-Y171 HydrophobicContact CB-CE2 3.64Å; F102-Y171 HydrophobicContact CD1-CD1 4.32Å; F102-Y171 AromaticContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CE1 4.24Å; F102-Y171 AromaticContact CD1-CE2 3.21Å; F102-Y171 HydrophobicContact CD1-CE2 3.21Å; F102-Y171 AromaticContact CD1-CG 3.87Å; F102-Y171 HydrophobicContact CD1-CG 3.87Å; F102-Y171 AromaticContact CD1-CZ 3.7Å; F102-Y171 HydrophobicContact CD2-CE2 4.04Å; F102-Y171 HydrophobicContact CE1-CD1 4.28Å; F102-Y171 HydrophobicContact CE1-CD2 4.04Å; F102-Y171 HydrophobicContact CE1-CE1 4.04Å; F102-Y171 AromaticContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CG 4.26Å; F102-Y171 AromaticContact CE1-CZ 3.79Å; F102-Y171 AromaticContact CG-CD2 3.77Å; F102-Y171 HydrophobicContact CG-CD2 3.77Å; F102-Y171 AromaticContact CG-CE2 3.33Å; F102-Y171 HydrophobicContact CG-CE2 3.33Å; F102-Y171 AromaticContact CG-CZ 3.99Å; F102-Y171 HydrophobicContact CZ-CE2 4.44Å; S111-Y171 WeakPolarHBondContact CA-OH 3.07Å; S111-Y171 WeakPolarHBondContact CB-OH 3.22Å; L112-Y171 HydrophobicContact CD1-CE2 4.37Å; L112-Y171 HydrophobicContact CG-CE2 4.05Å; L112-Y171 PolarHBondContact N-OH 3.43Å; T138-Y171 HydrophobicContact CG2-CD1 4.29Å; N167-Y171 PolarHBondContact O-N 3.21Å; L168-Y171 VanDerWaalsContact O-CB 3.3Å; L168-Y171 WeakPolarHBondContact O-CB 3.25Å; L168-Y171 PolarHBondContact O-N 2.98Å; V169-Y171 PolarHBondContact O-N 3.4Å |
| 172 | I | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -96.1 | -16.1 | -177.3 | 67.3 | 156.8 | 0 | 0 | 0 | 114.6 | V135 T138 L142 L168 V169 A174 A175 A208 L209 | V135-I172 HydrophobicContact CG1-CG2 4.42Å; T138-I172 HydrophobicContact CG2-CG2 3.97Å; L142-I172 HydrophobicContact CD1-CD1 3.66Å; L142-I172 HydrophobicContact CD1-CG1 4.05Å; L168-I172 PolarHBondContact O-N 3.4Å; L168-I172 VanDerWaalsContact O-N 3.15Å; V169-I172 WeakPolarHBondContact O-CG1 3.41Å; V169-I172 PolarHBondContact O-N 2.93Å; V169-I172 VanDerWaalsContact O-N 3.11Å; I172-A174 PolarHBondContact O-N 2.88Å; I172-A174 VanDerWaalsContact O-N 3.14Å; I172-A175 WeakPolarHBondContact O-CB 3.38Å; I172-A175 PolarHBondContact O-N 3.49Å; I172-A208 HydrophobicContact CD1-CB 3.8Å; I172-L209 HydrophobicContact CD1-CD2 3.83Å; I172-L209 HydrophobicContact CD1-CG 3.86Å; I172-L209 HydrophobicContact CG1-CD2 3.87Å; I172-L209 HydrophobicContact CG1-CG 4.28Å |
| 173 | E | 91.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 8.2 Ų | 8.2 | 2% | 0.019 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -60.1 | -27.8 | -178.3 | 76.3 | -171.9 | 170.7 | 0 | 0 | 112.6 | V169 A175 Y176 L209 E234 R497 R500 | V169-E173 WeakPolarHBondContact O-CB 3.5Å; V169-E173 PolarHBondContact O-N 3.14Å; E173-A175 VanDerWaalsContact C-N 3.27Å; E173-A175 PolarHBondContact O-N 2.99Å; E173-Y176 WeakPolarHBondContact O-CD1 3.38Å; E173-Y176 WeakPolarHBondContact O-CE1 3.5Å; E173-L209 HydrophobicContact CB-CD2 4.46Å; E173-E234 HydrophobicContact CB-CB 4.19Å; E173-E234 HydrophobicContact CB-CG 4.23Å; E173-R497 IonicContact OE2-NE 2.68Å; E173-R500 VanDerWaalsContact CD-NH1 3.35Å; E173-R500 IonicContact OE1-CZ 3.49Å; E173-R500 IonicContact OE1-NH1 3.54Å; E173-R500 PolarHBondContact OE1-NH1 3.26Å; E173-R500 IonicContact OE1-NH2 2.69Å |
| 174 | A | 85.6 | Confident | 92.7 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 2% | 0.017 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -82.3 | 7.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I172 Y176 K177 V178 | I172-A174 PolarHBondContact O-N 2.88Å; I172-A174 VanDerWaalsContact O-N 3.14Å; A174-Y176 PolarHBondContact O-N 3.46Å; A174-K177 HydrophobicContact CB-CG 4.22Å; A174-K177 WeakPolarHBondContact O-CG 3.23Å; A174-K177 PolarHBondContact O-N 2.94Å; A174-V178 HydrophobicContact CB-CG2 3.93Å; A174-V178 WeakPolarHBondContact O-CG2 3.44Å; A174-V178 PolarHBondContact O-N 3.35Å; A174-V178 VanDerWaalsContact O-N 3.15Å |
| 175 | A | 90.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 11 Ų | 11 | 3% | 0.033 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -54.1 | -30.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V135 I172 E173 K177 L197 A205 | V135-A175 HydrophobicContact CG1-CB 3.74Å; I172-A175 WeakPolarHBondContact O-CB 3.38Å; I172-A175 PolarHBondContact O-N 3.49Å; E173-A175 VanDerWaalsContact C-N 3.27Å; E173-A175 PolarHBondContact O-N 2.99Å; A175-K177 PolarHBondContact O-N 3.38Å; A175-L197 WeakPolarHBondContact O-CD1 3.43Å; A175-A205 HydrophobicContact CB-CB 3.35Å |
| 176 | Y | 85.6 | Confident | 91.6 | Very high | 8 Ų | 8 | 12.2 Ų | 12.2 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -63.4 | -18.3 | 177.2 | 60 | -96.1 | 0 | 0 | 0 | 114.5 | E173 A174 E234 H237 I241 T842 | E173-Y176 WeakPolarHBondContact O-CD1 3.38Å; E173-Y176 WeakPolarHBondContact O-CE1 3.5Å; A174-Y176 PolarHBondContact O-N 3.46Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.27Å; Y176-E234 PolarHBondContact OH-OE2 3.48Å; Y176-H237 HydrophobicContact CD1-CB 3.74Å; Y176-H237 HydrophobicContact CD2-CB 4.28Å; Y176-H237 HydrophobicContact CE1-CB 3.95Å; Y176-H237 HydrophobicContact CE2-CB 4.48Å; Y176-H237 HydrophobicContact CG-CB 3.91Å; Y176-I241 WeakPolarHBondContact O-CD1 3.5Å; Y176-T842 HydrophobicContact CD2-CG2 3.35Å; Y176-T842 HydrophobicContact CE2-CG2 3.45Å; Y176-T842 VanDerWaalsContact CE2-CG2 3.45Å |
| 177 | K | 83.4 | Confident | 91 | Very high | 41 Ų | 41 | 12 Ų | 12 | 18% | 0.178 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -11.8 | -179.2 | 57 | 179.4 | 174 | -143.5 | 0 | 114.8 | A174 A175 A179 P867 | A174-K177 HydrophobicContact CB-CG 4.22Å; A174-K177 WeakPolarHBondContact O-CG 3.23Å; A174-K177 PolarHBondContact O-N 2.94Å; A175-K177 PolarHBondContact O-N 3.38Å; K177-A179 PolarHBondContact O-N 3.3Å; K177-P867 HydrophobicContact CB-CB 3.57Å; K177-P867 HydrophobicContact CB-CG 3.49Å; K177-P867 VanDerWaalsContact CB-CG 3.49Å; K177-P867 HydrophobicContact CD-CB 4.29Å |
| 178 | V | 86.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 12.2 Ų | 12.2 | 4% | 0.042 | 6% | 0.061 | C | C | . | . | trans | -86.2 | 110.5 | -179.6 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | F102 Q106 L133 V135 A174 | F102-V178 HydrophobicContact CZ-CG1 3.99Å; Q106-V178 HydrophobicContact CB-CG2 4.06Å; Q106-V178 HydrophobicContact CG-CG2 3.93Å; L133-V178 HydrophobicContact CD1-CG1 4.28Å; L133-V178 HydrophobicContact CD2-CG1 3.93Å; L133-V178 HydrophobicContact CG-CG1 4.47Å; V135-V178 HydrophobicContact CG2-CG1 4.1Å; A174-V178 HydrophobicContact CB-CG2 3.93Å; A174-V178 WeakPolarHBondContact O-CG2 3.44Å; A174-V178 PolarHBondContact O-N 3.35Å; A174-V178 VanDerWaalsContact O-N 3.15Å | ||
| 179 | A | 88.6 | Confident | 90 | Very high | 36 Ų | 36 | 12.6 Ų | 12.6 | 30% | 0.298 | 6% | 0.062 | S | C | . | . | trans | -70 | 132.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L133 K177 P195 E196 | L133-A179 WeakPolarHBondContact CD2-O 3.31Å; K177-A179 PolarHBondContact O-N 3.3Å; A179-P195 HydrophobicContact CB-CB 4.07Å; A179-P195 HydrophobicContact CB-CG 4.47Å; A179-E196 WeakPolarHBondContact CA-O 3.27Å | ||
| 180 | D | 92.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | B | Isolated β-bridge | trans | -133.3 | 176.8 | -174.8 | 83.4 | -17.3 | 0 | 0 | 0 | 111.9 | L133 V135 G182 P195 E196 N198 S201 | L133-D180 HydrophobicContact CG-CB 3.96Å; L133-D180 WeakPolarHBondContact O-CB 3.49Å; V135-D180 HydrophobicContact CG2-CB 4.08Å; V135-D180 PolarHBondContact N-OD2 3.4Å; D180-G182 PolarHBondContact O-N 2.99Å; D180-G182 WeakPolarHBondContact OD1-CA 3.48Å; D180-G182 PolarHBondContact OD1-N 2.9Å; D180-P195 WeakPolarHBondContact O-CA 3.19Å; D180-E196 PolarHBondContact N-O 2.96Å; D180-E196 PolarHBondContact O-N 3.43Å; D180-E196 VanDerWaalsContact O-O 3.14Å; D180-N198 PolarHBondContact O-ND2 3.17Å; D180-N198 PolarHBondContact OD1-ND2 3.29Å; D180-S201 PolarHBondContact OD1-OG 3.15Å; D180-S201 VanDerWaalsContact OD2-CB 3.26Å; D180-S201 WeakPolarHBondContact OD2-CB 3.47Å; D180-S201 PolarHBondContact OD2-OG 3.16Å |
| 181 | Y | 93.1 | Very high | 88.5 | Confident | 34 Ų | 34 | 13.4 Ų | 13.4 | 13% | 0.133 | 7% | 0.068 | C | C | . | . | trans | -80.6 | -3.2 | 177.8 | -69.7 | -78.1 | 0 | 0 | 0 | 113.2 | T108 G131 L133 E185 R186 G187 G193 | T108-Y181 HydrophobicContact CG2-CE2 3.87Å; G131-Y181 VanDerWaalsContact C-CD2 3.46Å; G131-Y181 VanDerWaalsContact CA-CG 3.44Å; L133-Y181 HydrophobicContact CB-CD2 4.13Å; L133-Y181 HydrophobicContact CB-CE2 4.39Å; L133-Y181 PolarHBondContact O-N 3.22Å; Y181-E185 PolarHBondContact O-N 3.49Å; Y181-R186 PolarHBondContact O-N 2.97Å; Y181-G187 PolarHBondContact O-N 3.21Å; Y181-G193 WeakPolarHBondContact CE1-O 3.47Å; Y181-G193 PolarHBondContact OH-O 2.97Å | ||
| 182 | G | 91.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -179.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D180 W184 E185 N198 | D180-G182 PolarHBondContact O-N 2.99Å; D180-G182 WeakPolarHBondContact OD1-CA 3.48Å; D180-G182 PolarHBondContact OD1-N 2.9Å; G182-W184 PolarHBondContact O-N 2.68Å; G182-E185 PolarHBondContact O-N 3.24Å; G182-N198 WeakPolarHBondContact CA-ND2 3.4Å; G182-N198 PolarHBondContact N-ND2 3.45Å |
| 183 | M | 90.9 | Very high | 87.1 | Confident | 7 Ų | 7 | 18.1 Ų | 18.1 | 3% | 0.034 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.9 | -179.9 | 75.2 | -171.8 | -67.8 | 0 | 0 | 113.6 | R45 D136 G258 W402 | R45-M183 PolarHBondContact NH1-O 3Å; R45-M183 PolarHBondContact NH2-O 2.77Å; D136-M183 WeakPolarHBondContact OD2-CA 3.44Å; D136-M183 VanDerWaalsContact OD2-CB 3.31Å; D136-M183 WeakPolarHBondContact OD2-CB 3.49Å; M183-G258 WeakPolarHBondContact SD-CA 3.3Å; M183-W402 HydrophobicContact CE-CH2 3.63Å; M183-W402 HydrophobicContact CE-CZ2 4.36Å |
| 184 | W | 91.9 | Very high | 86.8 | Confident | 21 Ų | 21 | 22.4 Ų | 22.4 | 8% | 0.08 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1.7 | 176.5 | -52.4 | 125.8 | 0 | 0 | 0 | 113.3 | G182 R186 D256 R295 F296 F331 W402 | G182-W184 PolarHBondContact O-N 2.68Å; W184-R186 WeakPolarHBondContact O-CG 3.4Å; W184-R186 PolarHBondContact O-N 2.86Å; W184-D256 VanDerWaalsContact CD1-OD2 3.27Å; W184-D256 VanDerWaalsContact NE1-CG 3.34Å; W184-D256 PolarHBondContact NE1-OD1 3.26Å; W184-D256 PolarHBondContact NE1-OD2 3.43Å; W184-R295 HydrophobicContact CD2-CG 4.42Å; W184-R295 HydrophobicContact CH2-CG 4.07Å; W184-R295 HydrophobicContact CZ2-CB 4.1Å; W184-R295 HydrophobicContact CZ2-CG 3.96Å; W184-R295 HydrophobicContact CZ3-CG 4.36Å; W184-F296 AromaticContact CD1-CD1 3.85Å; W184-F296 AromaticContact CD1-CE1 3.69Å; W184-F296 HydrophobicContact CG-CE1 4.24Å; W184-F331 AromaticContact CH2-CZ 3.82Å; W184-F331 HydrophobicContact CH2-CZ 3.82Å; W184-F331 AromaticContact CZ2-CZ 3.88Å; W184-F331 HydrophobicContact CZ2-CZ 3.88Å; W184-W402 HydrophobicContact CH2-CH2 4.46Å; W184-W402 HydrophobicContact CZ3-CZ3 4.35Å |
| 185 | E | 89.1 | Confident | 87 | Confident | 50 Ų | 50 | 24.3 Ų | 24.3 | 23% | 0.234 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 23.7 | 175.4 | -33.6 | -170.9 | 103.2 | 0 | 0 | 113.8 | W43 W130 Q134 Y181 G182 | W43-E185 VanDerWaalsContact CD1-OE1 3.28Å; W43-E185 PolarHBondContact NE1-OE1 2.89Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.45Å; W130-E185 PolarHBondContact NE1-OE1 3.33Å; W130-E185 VanDerWaalsContact NE1-OE1 3.1Å; Q134-E185 PolarHBondContact NE2-OE1 2.72Å; Y181-E185 PolarHBondContact O-N 3.49Å; G182-E185 PolarHBondContact O-N 3.24Å |
| 186 | R | 83.4 | Confident | 86.9 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | trans | -119.4 | -20.5 | -171.8 | -70.4 | 179.4 | 168.1 | -159.8 | -16 | 114.1 | Y181 W184 D188 N191 D299 E306 Y313 | Y181-R186 PolarHBondContact O-N 2.97Å; W184-R186 WeakPolarHBondContact O-CG 3.4Å; W184-R186 PolarHBondContact O-N 2.86Å; R186-D188 PolarHBondContact O-N 3.14Å; R186-N191 HydrophobicContact CB-CB 4.16Å; R186-N191 HydrophobicContact CG-CB 4.19Å; R186-N191 VanDerWaalsContact CG-OD1 3.3Å; R186-N191 WeakPolarHBondContact CG-OD1 3.41Å; R186-D299 IonicContact NH1-OD1 3.66Å; R186-D299 PolarHBondContact NH1-OD1 3.39Å; R186-D299 VanDerWaalsContact NH1-OD1 3.08Å; R186-E306 IonicContact NH2-OE1 2.8Å; R186-E306 PolarHBondContact NH2-OE1 2.54Å; R186-Y313 PolarHBondContact NH1-OH 3.25Å; R186-Y313 PolarHBondContact NH2-OH 2.86Å | ||
| 187 | G | 85.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 67.1 | -120.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y181 I194 K253 | Y181-G187 PolarHBondContact O-N 3.21Å; G187-I194 CarbonylContact C-O 3.55Å; G187-I194 WeakPolarHBondContact CA-O 3.38Å; G187-K253 PolarHBondContact O-NZ 3.41Å |
| 188 | D | 86.7 | Confident | 87.5 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -62.6 | 157.4 | 179 | 98 | -52.7 | 0 | 0 | 0 | 113.7 | R186 T190 N191 Q192 I194 K1119 | R186-D188 PolarHBondContact O-N 3.14Å; D188-T190 PolarHBondContact O-N 3.33Å; D188-T190 PolarHBondContact OD1-OG1 2.96Å; D188-T190 WeakPolarHBondContact OD2-CB 3.34Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.38Å; D188-T190 PolarHBondContact OD2-N 3.06Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; D188-N191 PolarHBondContact O-N 3.34Å; D188-N191 PolarHBondContact OD1-N 3.46Å; D188-Q192 PolarHBondContact OD1-N 2.8Å; D188-I194 HydrophobicContact CB-CB 4.38Å; D188-I194 PolarHBondContact N-O 3.05Å; D188-K1119 IonicContact OD2-NZ 2.66Å; D188-K1119 PolarHBondContact OD2-NZ 3.4Å |
| 189 | K | 86.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.1 | -178.5 | -179.1 | 178.4 | 177.4 | 177.8 | 0 | 114 | N191 S252 K253 F296 L297 L318 E1117 | K189-N191 PolarHBondContact O-N 3.38Å; K189-S252 WeakPolarHBondContact CD-O 3.44Å; K189-S252 PolarHBondContact N-OG 2.88Å; K189-K253 HydrophobicContact CB-CG 4.18Å; K189-F296 HydrophobicContact CG-CD2 4.36Å; K189-F296 HydrophobicContact CG-CE2 4.03Å; K189-L297 WeakPolarHBondContact CE-O 3.34Å; K189-L297 PolarHBondContact NZ-O 2.99Å; K189-L318 HydrophobicContact CG-CD2 4.11Å; K189-E1117 WeakPolarHBondContact CD-OE1 3.3Å; K189-E1117 IonicContact NZ-OE1 3.39Å; K189-E1117 PolarHBondContact NZ-OE1 3.04Å |
| 190 | T | 81.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 23 Ų | 23 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.2 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | D188 Q192 Y313 L318 | D188-T190 PolarHBondContact O-N 3.33Å; D188-T190 PolarHBondContact OD1-OG1 2.96Å; D188-T190 WeakPolarHBondContact OD2-CB 3.34Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.38Å; D188-T190 PolarHBondContact OD2-N 3.06Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; T190-Q192 VanDerWaalsContact C-N 3.29Å; T190-Q192 PolarHBondContact O-N 3.47Å; T190-Q192 VanDerWaalsContact OG1-CG 3.23Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.4Å; T190-Y313 WeakPolarHBondContact O-CB 3.48Å; T190-L318 HydrophobicContact CG2-CD1 3.93Å |
| 191 | N | 81.8 | Confident | 88.4 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | trans | 53.4 | 48.5 | -179.2 | -176.5 | 24.4 | 0 | 0 | 0 | 110.3 | R186 D188 K189 L311 H312 Y313 | R186-N191 HydrophobicContact CB-CB 4.16Å; R186-N191 HydrophobicContact CG-CB 4.19Å; R186-N191 VanDerWaalsContact CG-OD1 3.3Å; R186-N191 WeakPolarHBondContact CG-OD1 3.41Å; D188-N191 PolarHBondContact O-N 3.34Å; D188-N191 PolarHBondContact OD1-N 3.46Å; K189-N191 PolarHBondContact O-N 3.38Å; N191-L311 PolarHBondContact ND2-O 3.27Å; N191-H312 WeakPolarHBondContact O-CA 3.25Å; N191-H312 VanDerWaalsContact O-CB 3.22Å; N191-H312 WeakPolarHBondContact O-CB 3.45Å; N191-H312 VanDerWaalsContact O-CG 3.25Å; N191-H312 PolarHBondContact O-ND1 3.01Å; N191-Y313 HydrophobicContact CB-CD2 3.92Å; N191-Y313 HydrophobicContact CB-CE2 4.08Å; N191-Y313 HydrophobicContact CB-CG 4.5Å | ||
| 192 | Q | 81.9 | Confident | 88.5 | Confident | 78 Ų | 78 | 21.6 Ų | 21.6 | 36% | 0.364 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -99.2 | 17.3 | 179.5 | -74.4 | -71.3 | -24.6 | 0 | 0 | 112.4 | D188 T190 I194 Y313 | D188-Q192 PolarHBondContact OD1-N 2.8Å; T190-Q192 VanDerWaalsContact C-N 3.29Å; T190-Q192 PolarHBondContact O-N 3.47Å; T190-Q192 VanDerWaalsContact OG1-CG 3.23Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.4Å; Q192-I194 VanDerWaalsContact C-N 3.26Å; Q192-I194 HydrophobicContact CB-CD1 4.05Å; Q192-I194 HydrophobicContact CB-CG1 4.19Å; Q192-I194 PolarHBondContact O-N 3.44Å; Q192-Y313 PolarHBondContact NE2-O 3.2Å |
| 193 | G | 80.3 | Confident | 88.8 | Confident | 26 Ų | 26 | 21.6 Ų | 21.6 | 27% | 0.268 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 73.7 | 16.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y181 P195 | Y181-G193 WeakPolarHBondContact CE1-O 3.47Å; Y181-G193 PolarHBondContact OH-O 2.97Å; G193-P195 WeakPolarHBondContact O-CD 3.34Å |
| 194 | I | 86.6 | Confident | 89.1 | Confident | 94 Ų | 94 | 21.5 Ų | 21.5 | 48% | 0.482 | 12% | 0.115 | S | C | . | . | trans | -92.8 | 113.5 | -179.2 | -57.8 | 171.4 | 0 | 0 | 0 | 108.6 | G187 D188 Q192 | G187-I194 CarbonylContact C-O 3.55Å; G187-I194 WeakPolarHBondContact CA-O 3.38Å; D188-I194 HydrophobicContact CB-CB 4.38Å; D188-I194 PolarHBondContact N-O 3.05Å; Q192-I194 VanDerWaalsContact C-N 3.26Å; Q192-I194 HydrophobicContact CB-CD1 4.05Å; Q192-I194 HydrophobicContact CB-CG1 4.19Å; Q192-I194 PolarHBondContact O-N 3.44Å | ||
| 195 | P | 89.3 | Confident | 89.4 | Confident | 41 Ų | 41 | 20.5 Ų | 20.5 | 27% | 0.266 | 11% | 0.111 | S | C | . | . | trans | -67.9 | 150.2 | 175.2 | 29 | -34.2 | 0 | 0 | 0 | 111 | T108 A179 D180 G193 | T108-P195 HydrophobicContact CG2-CG 4.2Å; A179-P195 HydrophobicContact CB-CB 4.07Å; A179-P195 HydrophobicContact CB-CG 4.47Å; D180-P195 WeakPolarHBondContact O-CA 3.19Å; G193-P195 WeakPolarHBondContact O-CD 3.34Å | ||
| 196 | E | 88.4 | Confident | 89.8 | Confident | 16 Ų | 16 | 18.1 Ų | 18.1 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -140.6 | 164 | 174.3 | 65 | 179.6 | -178 | 0 | 0 | 110.3 | A179 D180 N198 S250 S252 K253 | A179-E196 WeakPolarHBondContact CA-O 3.27Å; D180-E196 PolarHBondContact N-O 2.96Å; D180-E196 PolarHBondContact O-N 3.43Å; D180-E196 VanDerWaalsContact O-O 3.14Å; E196-N198 PolarHBondContact O-N 3.5Å; E196-N198 PolarHBondContact O-ND2 2.97Å; E196-S250 WeakPolarHBondContact OE1-CB 3.5Å; E196-S250 PolarHBondContact OE1-OG 3.24Å; E196-S250 PolarHBondContact OE2-OG 3.45Å; E196-S252 PolarHBondContact OE1-OG 2.88Å; E196-S252 WeakPolarHBondContact OE2-CB 3.36Å; E196-S252 PolarHBondContact OE2-N 2.84Å; E196-S252 PolarHBondContact OE2-OG 3.41Å; E196-K253 IonicContact OE1-NZ 3.36Å; E196-K253 PolarHBondContact OE1-NZ 3.49Å |
| 197 | L | 89 | Confident | 90.5 | Very high | 42 Ų | 42 | 16.9 Ų | 16.9 | 22% | 0.22 | 10% | 0.095 | C | C | . | . | trans | -72.8 | 112.4 | 174.5 | -168.9 | 68.5 | 0 | 0 | 0 | 109 | A175 V202 I241 M245 S250 | A175-L197 WeakPolarHBondContact O-CD1 3.43Å; L197-V202 HydrophobicContact CD1-CG2 3.84Å; L197-V202 HydrophobicContact CG-CG2 4.19Å; L197-I241 HydrophobicContact CD2-CD1 4.17Å; L197-I241 HydrophobicContact CD2-CG2 4Å; L197-M245 HydrophobicContact CD2-SD 3.92Å; L197-M245 HydrophobicContact CG-SD 4.22Å; L197-M245 WeakPolarHBondContact O-CE 3.32Å; L197-S250 WeakPolarHBondContact O-CB 3.44Å | ||
| 198 | N | 92.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.032 | 10% | 0.095 | C | C | . | . | trans | -100.9 | 123.3 | 179.8 | -67.7 | -77.8 | 0 | 0 | 0 | 110.6 | D180 G182 E196 S200 S201 V202 K253 | D180-N198 PolarHBondContact O-ND2 3.17Å; D180-N198 PolarHBondContact OD1-ND2 3.29Å; G182-N198 WeakPolarHBondContact CA-ND2 3.4Å; G182-N198 PolarHBondContact N-ND2 3.45Å; E196-N198 PolarHBondContact O-N 3.5Å; E196-N198 PolarHBondContact O-ND2 2.97Å; N198-S200 VanDerWaalsContact C-N 3.25Å; N198-S200 PolarHBondContact O-N 2.95Å; N198-S201 WeakPolarHBondContact O-CB 3.49Å; N198-S201 PolarHBondContact O-N 3.45Å; N198-S201 VanDerWaalsContact O-N 3.08Å; N198-V202 PolarHBondContact O-N 3.3Å; N198-V202 VanDerWaalsContact O-N 3.13Å; N198-K253 PolarHBondContact OD1-NZ 3.29Å | ||
| 199 | A | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.8 | -32.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S201 V202 G203 L242 M245 L246 A249 L259 I262 | A199-S201 VanDerWaalsContact C-N 3.35Å; A199-S201 PolarHBondContact O-N 3.32Å; A199-V202 PolarHBondContact O-N 2.84Å; A199-G203 PolarHBondContact O-N 3.17Å; A199-L242 HydrophobicContact CB-CD2 4.29Å; A199-L242 WeakPolarHBondContact O-CD2 3.39Å; A199-M245 HydrophobicContact CB-CB 4.35Å; A199-M245 HydrophobicContact CB-CE 3.98Å; A199-M245 HydrophobicContact CB-SD 4.29Å; A199-L246 HydrophobicContact CB-CD2 4.41Å; A199-A249 WeakPolarHBondContact CB-O 3.46Å; A199-A249 PolarHBondContact N-O 3.23Å; A199-L259 HydrophobicContact CB-CD2 3.78Å; A199-I262 WeakPolarHBondContact O-CD1 3.39Å |
| 200 | S | 95.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 174.5 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | N198 M204 I262 | N198-S200 VanDerWaalsContact C-N 3.25Å; N198-S200 PolarHBondContact O-N 2.95Å; S200-M204 WeakPolarHBondContact O-CB 3.46Å; S200-M204 PolarHBondContact O-N 3.16Å; S200-I262 WeakPolarHBondContact O-CG2 3.36Å |
| 201 | S | 96.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.2 | -46.2 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | D180 N198 A199 G203 M204 A205 | D180-S201 PolarHBondContact OD1-OG 3.15Å; D180-S201 VanDerWaalsContact OD2-CB 3.26Å; D180-S201 WeakPolarHBondContact OD2-CB 3.47Å; D180-S201 PolarHBondContact OD2-OG 3.16Å; N198-S201 WeakPolarHBondContact O-CB 3.49Å; N198-S201 PolarHBondContact O-N 3.45Å; N198-S201 VanDerWaalsContact O-N 3.08Å; A199-S201 VanDerWaalsContact C-N 3.35Å; A199-S201 PolarHBondContact O-N 3.32Å; S201-G203 VanDerWaalsContact C-N 3.35Å; S201-G203 PolarHBondContact O-N 3.36Å; S201-M204 PolarHBondContact O-N 3.5Å; S201-A205 WeakPolarHBondContact O-CB 3.2Å; S201-A205 PolarHBondContact O-N 3.49Å |
| 202 | V | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.8 | -179 | 0 | 0 | 0 | 0 | 111 | L197 N198 A199 A205 K206 C238 I241 L242 | L197-V202 HydrophobicContact CD1-CG2 3.84Å; L197-V202 HydrophobicContact CG-CG2 4.19Å; N198-V202 PolarHBondContact O-N 3.3Å; N198-V202 VanDerWaalsContact O-N 3.13Å; A199-V202 PolarHBondContact O-N 2.84Å; V202-A205 PolarHBondContact O-N 3.45Å; V202-K206 WeakPolarHBondContact O-CB 3.48Å; V202-K206 PolarHBondContact O-N 2.95Å; V202-C238 HydrophobicContact CG1-CB 3.85Å; V202-I241 HydrophobicContact CG1-CB 4.33Å; V202-I241 HydrophobicContact CG1-CG2 4Å; V202-I241 HydrophobicContact CG2-CG2 4.22Å; V202-L242 HydrophobicContact CB-CD2 4.16Å; V202-L242 HydrophobicContact CB-CG 4.46Å; V202-L242 HydrophobicContact CG1-CD1 4.39Å; V202-L242 HydrophobicContact CG1-CD2 4.17Å; V202-L242 HydrophobicContact CG1-CG 3.93Å |
| 203 | G | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A199 S201 A207 A269 | A199-G203 PolarHBondContact O-N 3.17Å; S201-G203 VanDerWaalsContact C-N 3.35Å; S201-G203 PolarHBondContact O-N 3.36Å; G203-A207 WeakPolarHBondContact O-CB 3.39Å; G203-A207 PolarHBondContact O-N 3.23Å; G203-A207 VanDerWaalsContact O-N 3.08Å; G203-A269 WeakPolarHBondContact O-CB 3.45Å |
| 204 | M | 98.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 175.5 | -164.1 | 60.8 | 63.1 | 0 | 0 | 111.5 | D136 L140 L143 S200 S201 A207 A208 I262 P266 A267 | D136-M204 HydrophobicContact CB-CB 4.49Å; L140-M204 HydrophobicContact CB-CG 4.16Å; L140-M204 HydrophobicContact CB-SD 4.33Å; L140-M204 HydrophobicContact CD1-CE 3.97Å; L140-M204 HydrophobicContact CD1-SD 3.71Å; L143-M204 HydrophobicContact CD2-SD 3.66Å; S200-M204 WeakPolarHBondContact O-CB 3.46Å; S200-M204 PolarHBondContact O-N 3.16Å; S201-M204 PolarHBondContact O-N 3.5Å; M204-A207 PolarHBondContact O-N 2.8Å; M204-A208 WeakPolarHBondContact O-CB 3.31Å; M204-A208 PolarHBondContact O-N 2.69Å; M204-I262 HydrophobicContact CE-CG2 4.49Å; M204-P266 HydrophobicContact CE-CG 4.21Å; M204-A267 HydrophobicContact CE-CB 4.09Å; M204-A267 HydrophobicContact SD-CB 4.01Å |
| 205 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -48.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V135 S139 A175 S201 V202 A207 A208 L209 | V135-A205 HydrophobicContact CG1-CB 4.27Å; S139-A205 VanDerWaalsContact OG-CA 3.25Å; S139-A205 WeakPolarHBondContact OG-CA 3.35Å; S139-A205 WeakPolarHBondContact OG-CB 3.48Å; A175-A205 HydrophobicContact CB-CB 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.2Å; S201-A205 PolarHBondContact O-N 3.49Å; V202-A205 PolarHBondContact O-N 3.45Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 2.89Å; A205-A208 PolarHBondContact O-N 2.69Å; A205-A208 VanDerWaalsContact O-N 3.15Å; A205-L209 WeakPolarHBondContact O-CB 3.42Å; A205-L209 VanDerWaalsContact O-CG 3.23Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 3.36Å |
| 206 | K | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -51.4 | -49.2 | 173.4 | -177.6 | 179.5 | -177.3 | -87.6 | 0 | 111.3 | V202 A208 L209 E210 V235 C238 Q239 L242 A269 E271 | V202-K206 WeakPolarHBondContact O-CB 3.48Å; V202-K206 PolarHBondContact O-N 2.95Å; K206-A208 VanDerWaalsContact C-N 3.35Å; K206-A208 PolarHBondContact O-N 3.24Å; K206-L209 PolarHBondContact O-N 2.94Å; K206-E210 VanDerWaalsContact CE-OE1 3.31Å; K206-E210 WeakPolarHBondContact CE-OE1 3.23Å; K206-E210 IonicContact NZ-OE1 2.71Å; K206-E210 PolarHBondContact NZ-OE1 3.03Å; K206-E210 IonicContact NZ-OE2 3.8Å; K206-E210 WeakPolarHBondContact O-CG 3.28Å; K206-E210 PolarHBondContact O-N 3.01Å; K206-V235 HydrophobicContact CG-CG1 4.1Å; K206-C238 HydrophobicContact CB-CB 3.85Å; K206-C238 HydrophobicContact CD-CB 4.49Å; K206-C238 HydrophobicContact CG-CB 4.27Å; K206-Q239 HydrophobicContact CD-CB 4.23Å; K206-L242 HydrophobicContact CB-CD1 4.35Å; K206-L242 HydrophobicContact CD-CD1 3.74Å; K206-A269 HydrophobicContact CD-CB 4.49Å; K206-A269 PolarHBondContact NZ-O 3Å; K206-E271 IonicContact NZ-OE1 3.49Å |
| 207 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 G203 M204 A205 A211 A267 A269 R428 | L143-A207 HydrophobicContact CD1-CB 4.47Å; L143-A207 HydrophobicContact CD2-CB 4.39Å; G203-A207 WeakPolarHBondContact O-CB 3.39Å; G203-A207 PolarHBondContact O-N 3.23Å; G203-A207 VanDerWaalsContact O-N 3.08Å; M204-A207 PolarHBondContact O-N 2.8Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 2.89Å; A207-A211 WeakPolarHBondContact O-CB 3.19Å; A207-A211 PolarHBondContact O-N 3.16Å; A207-A267 HydrophobicContact CB-CB 3.53Å; A207-A267 WeakPolarHBondContact CB-O 3.37Å; A207-A269 HydrophobicContact CB-CB 4.36Å; A207-R428 VanDerWaalsContact CA-CZ 3.47Å; A207-R428 VanDerWaalsContact CB-NH2 3.27Å; A207-R428 PolarHBondContact O-NH1 3.43Å |
| 208 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S139 L142 L143 I172 M204 A205 K206 A211 I212 | S139-A208 WeakPolarHBondContact O-CB 3.43Å; L142-A208 HydrophobicContact CB-CB 4.04Å; L143-A208 HydrophobicContact CB-CB 4.19Å; I172-A208 HydrophobicContact CD1-CB 3.8Å; M204-A208 WeakPolarHBondContact O-CB 3.31Å; M204-A208 PolarHBondContact O-N 2.69Å; A205-A208 PolarHBondContact O-N 2.69Å; A205-A208 VanDerWaalsContact O-N 3.15Å; K206-A208 VanDerWaalsContact C-N 3.35Å; K206-A208 PolarHBondContact O-N 3.24Å; A208-A211 PolarHBondContact O-N 3.14Å; A208-I212 WeakPolarHBondContact O-CB 3.47Å; A208-I212 VanDerWaalsContact O-CG2 3.32Å; A208-I212 WeakPolarHBondContact O-CG2 3.47Å; A208-I212 PolarHBondContact O-N 3.35Å |
| 209 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 177.1 | -71.9 | 173.6 | 0 | 0 | 0 | 111.3 | V169 I172 E173 A205 K206 A211 D213 V230 V235 | V169-L209 HydrophobicContact CG1-CD2 3.82Å; I172-L209 HydrophobicContact CD1-CD2 3.83Å; I172-L209 HydrophobicContact CD1-CG 3.86Å; I172-L209 HydrophobicContact CG1-CD2 3.87Å; I172-L209 HydrophobicContact CG1-CG 4.28Å; E173-L209 HydrophobicContact CB-CD2 4.46Å; A205-L209 WeakPolarHBondContact O-CB 3.42Å; A205-L209 VanDerWaalsContact O-CG 3.23Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 3.36Å; K206-L209 PolarHBondContact O-N 2.94Å; L209-A211 VanDerWaalsContact C-N 3.32Å; L209-A211 PolarHBondContact O-N 3.4Å; L209-D213 WeakPolarHBondContact O-CB 3.36Å; L209-D213 PolarHBondContact O-N 2.96Å; L209-V230 HydrophobicContact CB-CG1 4.01Å; L209-V230 HydrophobicContact CD2-CG1 3.92Å; L209-V230 HydrophobicContact CD2-CG2 4.41Å; L209-V230 HydrophobicContact CG-CG1 4.46Å; L209-V230 WeakPolarHBondContact O-CG2 3.22Å; L209-V235 HydrophobicContact CB-CG2 3.85Å; L209-V235 HydrophobicContact CD1-CG2 4.33Å |
| 210 | E | 95.9 | Very high | 95.2 | Very high | 60 Ų | 60 | 20.6 Ų | 20.6 | 28% | 0.28 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65 | -33.1 | 176.1 | -73.8 | 172.3 | 167.1 | 0 | 0 | 113.4 | K206 V235 R428 | K206-E210 VanDerWaalsContact CE-OE1 3.31Å; K206-E210 WeakPolarHBondContact CE-OE1 3.23Å; K206-E210 IonicContact NZ-OE1 2.71Å; K206-E210 PolarHBondContact NZ-OE1 3.03Å; K206-E210 IonicContact NZ-OE2 3.8Å; K206-E210 WeakPolarHBondContact O-CG 3.28Å; K206-E210 PolarHBondContact O-N 3.01Å; E210-V235 HydrophobicContact CG-CG1 3.58Å; E210-R428 IonicContact OE2-CZ 3.71Å; E210-R428 IonicContact OE2-NH1 2.69Å; E210-R428 PolarHBondContact OE2-NH1 3.48Å; E210-R428 IonicContact OE2-NH2 3.35Å; E210-R428 PolarHBondContact OE2-NH2 3.21Å |
| 211 | A | 96.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 5% | 0.05 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.3 | -33.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L143 A146 A207 A208 L209 L426 | L143-A211 HydrophobicContact CD1-CB 3.61Å; A146-A211 HydrophobicContact CB-CB 3.92Å; A146-A211 WeakPolarHBondContact CB-O 3.44Å; A207-A211 WeakPolarHBondContact O-CB 3.19Å; A207-A211 PolarHBondContact O-N 3.16Å; A208-A211 PolarHBondContact O-N 3.14Å; L209-A211 VanDerWaalsContact C-N 3.32Å; L209-A211 PolarHBondContact O-N 3.4Å; A211-L426 HydrophobicContact CB-CD1 3.83Å; A211-L426 WeakPolarHBondContact O-CD1 3.44Å |
| 212 | I | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -92.1 | -16 | -176 | -154.3 | 169.3 | 0 | 0 | 0 | 113 | L142 A146 I165 V169 A208 E214 L215 L217 I228 V230 | L142-I212 HydrophobicContact CB-CD1 4.48Å; L142-I212 HydrophobicContact CD2-CD1 3.93Å; A146-I212 HydrophobicContact CB-CB 4.42Å; I165-I212 HydrophobicContact CG2-CD1 3.54Å; V169-I212 HydrophobicContact CG2-CD1 4.42Å; V169-I212 HydrophobicContact CG2-CG2 3.88Å; A208-I212 WeakPolarHBondContact O-CB 3.47Å; A208-I212 VanDerWaalsContact O-CG2 3.32Å; A208-I212 WeakPolarHBondContact O-CG2 3.47Å; A208-I212 PolarHBondContact O-N 3.35Å; I212-E214 PolarHBondContact O-N 3.3Å; I212-L215 VanDerWaalsContact O-CB 3.27Å; I212-L215 WeakPolarHBondContact O-CB 3.35Å; I212-L215 PolarHBondContact O-N 3Å; I212-L215 VanDerWaalsContact O-N 3.16Å; I212-L217 HydrophobicContact CD1-CD2 4.46Å; I212-L217 HydrophobicContact CG1-CD2 4.49Å; I212-I228 HydrophobicContact CD1-CG1 4.34Å; I212-I228 HydrophobicContact CD1-CG2 4.32Å; I212-I228 HydrophobicContact CG1-CB 4.14Å; I212-I228 HydrophobicContact CG1-CG1 4.21Å; I212-I228 HydrophobicContact CG1-CG2 4.02Å; I212-I228 HydrophobicContact CG2-CG2 4Å; I212-V230 HydrophobicContact CG2-CG2 3.91Å |
| 213 | D | 94.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 31.9 Ų | 31.9 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.4 | 178.6 | -168.2 | 37.6 | 0 | 0 | 0 | 111.8 | L209 L215 V230 | L209-D213 WeakPolarHBondContact O-CB 3.36Å; L209-D213 PolarHBondContact O-N 2.96Å; D213-L215 PolarHBondContact O-N 3.36Å; D213-V230 HydrophobicContact CB-CB 3.87Å; D213-V230 HydrophobicContact CB-CG2 3.93Å; D213-V230 WeakPolarHBondContact OD1-CB 3.33Å; D213-V230 PolarHBondContact OD1-N 3.21Å |
| 214 | E | 91.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 18.6 | -177.3 | -59.1 | -68.3 | 142.3 | 0 | 0 | 114.2 | I212 I228 H229 | I212-E214 PolarHBondContact O-N 3.3Å; E214-I228 WeakPolarHBondContact CA-O 3.24Å; E214-I228 PolarHBondContact N-O 3.03Å; E214-H229 IonicContact OE1-CE1 3.71Å; E214-H229 IonicContact OE1-ND1 3.63Å; E214-H229 PolarHBondContact OE1-ND1 3.48Å |
| 215 | L | 93.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | trans | -85.1 | 130.1 | 175.9 | -175.1 | 72.8 | 0 | 0 | 0 | 111.2 | A146 I212 D213 L217 V227 I228 | A146-L215 VanDerWaalsContact CA-CD2 3.46Å; A146-L215 HydrophobicContact CB-CD2 3.64Å; I212-L215 VanDerWaalsContact O-CB 3.27Å; I212-L215 WeakPolarHBondContact O-CB 3.35Å; I212-L215 PolarHBondContact O-N 3Å; I212-L215 VanDerWaalsContact O-N 3.16Å; D213-L215 PolarHBondContact O-N 3.36Å; L215-L217 HydrophobicContact CD2-CD2 4.34Å; L215-L217 PolarHBondContact O-N 3.41Å; L215-V227 WeakPolarHBondContact O-CA 3.38Å; L215-I228 PolarHBondContact O-N 2.64Å; L215-I228 VanDerWaalsContact O-N 3.14Å | ||
| 216 | D | 94.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -80 | 112.2 | 168.6 | -168.6 | -27.8 | 0 | 0 | 0 | 111.2 | F218 G219 G222 G223 S226 V227 | D216-F218 PolarHBondContact O-N 3.35Å; D216-F218 PolarHBondContact OD1-N 2.94Å; D216-G219 PolarHBondContact O-N 2.63Å; D216-G222 WeakPolarHBondContact OD2-CA 3.41Å; D216-G223 PolarHBondContact OD2-N 2.96Å; D216-S226 VanDerWaalsContact CG-OG 3.31Å; D216-S226 WeakPolarHBondContact OD1-CB 3.48Å; D216-S226 PolarHBondContact OD1-OG 3.05Å; D216-S226 PolarHBondContact OD2-OG 3.5Å; D216-V227 HydrophobicContact CB-CG2 4.31Å |
| 217 | L | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.6 | -177.4 | -67.5 | -178.9 | 0 | 0 | 0 | 114.5 | L145 I156 V162 I165 I212 L215 G219 S226 I228 | L145-L217 HydrophobicContact CD2-CD2 4.24Å; L145-L217 HydrophobicContact CG-CD2 4.45Å; I156-L217 HydrophobicContact CB-CB 4.11Å; I156-L217 HydrophobicContact CG1-CB 4.12Å; I156-L217 HydrophobicContact CG1-CD1 4.31Å; I156-L217 HydrophobicContact CG2-CB 4.31Å; V162-L217 HydrophobicContact CB-CD1 4.41Å; V162-L217 HydrophobicContact CG1-CD1 4.31Å; V162-L217 HydrophobicContact CG2-CB 4.32Å; V162-L217 HydrophobicContact CG2-CD1 4.16Å; I165-L217 HydrophobicContact CB-CD1 3.81Å; I165-L217 HydrophobicContact CG1-CD1 4.05Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I212-L217 HydrophobicContact CD1-CD2 4.46Å; I212-L217 HydrophobicContact CG1-CD2 4.49Å; L215-L217 HydrophobicContact CD2-CD2 4.34Å; L215-L217 PolarHBondContact O-N 3.41Å; L217-G219 VanDerWaalsContact C-N 3.31Å; L217-S226 PolarHBondContact N-O 2.72Å; L217-I228 HydrophobicContact CD1-CD1 3.67Å; L217-I228 HydrophobicContact CD1-CG1 3.56Å; L217-I228 HydrophobicContact CD2-CG1 4.27Å; L217-I228 HydrophobicContact CG-CD1 4.41Å; L217-I228 HydrophobicContact CG-CG1 3.78Å |
| 218 | F | 94.6 | Very high | 91 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 18% | 0.18 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2.5 | 171 | -64.2 | -24.2 | 0 | 0 | 0 | 112.7 | I156 L159 V162 D216 S226 | I156-F218 HydrophobicContact CG2-CD1 4.46Å; I156-F218 HydrophobicContact CG2-CE1 4.01Å; I156-F218 WeakPolarHBondContact O-CD1 3.41Å; L159-F218 HydrophobicContact CD2-CE2 4.05Å; L159-F218 HydrophobicContact CD2-CZ 4.22Å; V162-F218 HydrophobicContact CG2-CE1 4.16Å; V162-F218 HydrophobicContact CG2-CZ 4.15Å; D216-F218 PolarHBondContact O-N 3.35Å; D216-F218 PolarHBondContact OD1-N 2.94Å; F218-S226 VanDerWaalsContact CD2-CB 3.49Å; F218-S226 VanDerWaalsContact CD2-OG 3.32Å; F218-S226 WeakPolarHBondContact CD2-OG 3.42Å |
| 219 | G | 89.4 | Confident | 90.8 | Very high | 24 Ų | 24 | 45 Ų | 45 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | 67.3 | -145.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D216 L217 H221 G222 | D216-G219 PolarHBondContact O-N 2.63Å; L217-G219 VanDerWaalsContact C-N 3.31Å; G219-H221 PolarHBondContact O-N 3.37Å; G219-G222 PolarHBondContact O-N 3.47Å; G219-G222 VanDerWaalsContact O-N 3.07Å |
| 220 | A | 82.4 | Confident | 90.7 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 86% | 0.86 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -62.9 | -10.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 221 | H | 78.3 | Confident | 90.5 | Very high | 181 Ų | 181 | 42.7 Ų | 42.7 | 84% | 0.838 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -109.3 | 6.2 | -179.6 | -58.1 | -53 | 0 | 0 | 0 | 113.1 | G219 | G219-H221 PolarHBondContact O-N 3.37Š|
| 222 | G | 79.1 | Confident | 90.3 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | trans | -82 | -179.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D216 G219 | D216-G222 WeakPolarHBondContact OD2-CA 3.41Å; G219-G222 PolarHBondContact O-N 3.47Å; G219-G222 VanDerWaalsContact O-N 3.07Å | ||
| 223 | G | 82.6 | Confident | 89.9 | Confident | 40 Ų | 40 | 44 Ų | 44 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | trans | -135.1 | 176 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D216 K225 S226 | D216-G223 PolarHBondContact OD2-N 2.96Å; G223-K225 PolarHBondContact O-N 3.09Å; G223-S226 PolarHBondContact N-OG 3.48Å; G223-S226 PolarHBondContact O-N 3.06Å; G223-S226 PolarHBondContact O-OG 3.15Å | ||
| 224 | R | 83.1 | Confident | 89.7 | Confident | 155 Ų | 155 | 42.3 Ų | 42.3 | 59% | 0.585 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -57.5 | -24.5 | -175.3 | -60 | -179 | -179.2 | 172.4 | -3.5 | 114.3 | S226 V227 T617 | R224-S226 VanDerWaalsContact C-N 3.3Å; R224-S226 PolarHBondContact O-N 2.89Å; R224-V227 WeakPolarHBondContact O-CB 3.48Å; R224-V227 PolarHBondContact O-N 3.28Å; R224-T617 HydrophobicContact CB-CG2 3.64Å; R224-T617 WeakPolarHBondContact CB-OG1 3.23Å; R224-T617 HydrophobicContact CG-CG2 4.23Å; R224-T617 PolarHBondContact O-OG1 3.36Å |
| 225 | K | 84.8 | Confident | 89.7 | Confident | 91 Ų | 91 | 39.6 Ų | 39.6 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -70.8 | -18.1 | 176.2 | -64.8 | -169.4 | 177.6 | -171.4 | 0 | 114.3 | L159 G223 D622 | L159-K225 HydrophobicContact CD2-CB 4.13Å; G223-K225 PolarHBondContact O-N 3.09Å; K225-D622 PolarHBondContact NZ-O 2.78Å |
| 226 | S | 91.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -99.8 | 8.4 | 177.1 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | D216 L217 F218 G223 R224 | D216-S226 VanDerWaalsContact CG-OG 3.31Å; D216-S226 WeakPolarHBondContact OD1-CB 3.48Å; D216-S226 PolarHBondContact OD1-OG 3.05Å; D216-S226 PolarHBondContact OD2-OG 3.5Å; L217-S226 PolarHBondContact N-O 2.72Å; F218-S226 VanDerWaalsContact CD2-CB 3.49Å; F218-S226 VanDerWaalsContact CD2-OG 3.32Å; F218-S226 WeakPolarHBondContact CD2-OG 3.42Å; G223-S226 PolarHBondContact N-OG 3.48Å; G223-S226 PolarHBondContact O-N 3.06Å; G223-S226 PolarHBondContact O-OG 3.15Å; R224-S226 VanDerWaalsContact C-N 3.3Å; R224-S226 PolarHBondContact O-N 2.89Å |
| 227 | V | 93.6 | Very high | 89.1 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 133.3 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | L215 D216 R224 | L215-V227 WeakPolarHBondContact O-CA 3.38Å; D216-V227 HydrophobicContact CB-CG2 4.31Å; R224-V227 WeakPolarHBondContact O-CB 3.48Å; R224-V227 PolarHBondContact O-N 3.28Å |
| 228 | I | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -90.8 | 138 | 173.5 | -63.7 | -61.5 | 0 | 0 | 0 | 109.6 | V162 I165 Q166 V169 I212 E214 L215 L217 V230 | V162-I228 HydrophobicContact CG1-CD1 4.06Å; I165-I228 HydrophobicContact CB-CD1 4.36Å; I165-I228 HydrophobicContact CG2-CD1 4.05Å; I165-I228 HydrophobicContact CG2-CG1 4.25Å; Q166-I228 HydrophobicContact CB-CD1 3.89Å; V169-I228 HydrophobicContact CG2-CG2 3.79Å; I212-I228 HydrophobicContact CD1-CG1 4.34Å; I212-I228 HydrophobicContact CD1-CG2 4.32Å; I212-I228 HydrophobicContact CG1-CB 4.14Å; I212-I228 HydrophobicContact CG1-CG1 4.21Å; I212-I228 HydrophobicContact CG1-CG2 4.02Å; I212-I228 HydrophobicContact CG2-CG2 4Å; E214-I228 WeakPolarHBondContact CA-O 3.24Å; E214-I228 PolarHBondContact N-O 3.03Å; L215-I228 PolarHBondContact O-N 2.64Å; L215-I228 VanDerWaalsContact O-N 3.14Å; L217-I228 HydrophobicContact CD1-CD1 3.67Å; L217-I228 HydrophobicContact CD1-CG1 3.56Å; L217-I228 HydrophobicContact CD2-CG1 4.27Å; L217-I228 HydrophobicContact CG-CD1 4.41Å; L217-I228 HydrophobicContact CG-CG1 3.78Å; I228-V230 HydrophobicContact CG2-CG2 4.49Å | ||
| 229 | H | 94.5 | Very high | 88.7 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | trans | -113.7 | 133.4 | 177.3 | -59.4 | -73.2 | 0 | 0 | 0 | 111 | Q166 E214 L486 Y615 | Q166-H229 PolarHBondContact NE2-O 2.83Å; E214-H229 IonicContact OE1-CE1 3.71Å; E214-H229 IonicContact OE1-ND1 3.63Å; E214-H229 PolarHBondContact OE1-ND1 3.48Å; H229-L486 HydrophobicContact CB-CD2 3.94Å; H229-Y615 PolarHBondContact CE1-O 3.1Å; H229-Y615 VanDerWaalsContact CE1-O 3.3Å | ||
| 230 | V | 95.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | trans | -121.1 | 141.2 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | V169 L209 I212 D213 I228 V235 | V169-V230 HydrophobicContact CG1-CG2 3.87Å; L209-V230 HydrophobicContact CB-CG1 4.01Å; L209-V230 HydrophobicContact CD2-CG1 3.92Å; L209-V230 HydrophobicContact CD2-CG2 4.41Å; L209-V230 HydrophobicContact CG-CG1 4.46Å; L209-V230 WeakPolarHBondContact O-CG2 3.22Å; I212-V230 HydrophobicContact CG2-CG2 3.91Å; D213-V230 HydrophobicContact CB-CB 3.87Å; D213-V230 HydrophobicContact CB-CG2 3.93Å; D213-V230 WeakPolarHBondContact OD1-CB 3.33Å; D213-V230 PolarHBondContact OD1-N 3.21Å; I228-V230 HydrophobicContact CG2-CG2 4.49Å; V230-V235 HydrophobicContact CG1-CG2 3.9Å | ||
| 231 | L | 92.2 | Very high | 88.6 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | -82.2 | 127.7 | 174.3 | -70.2 | 172 | 0 | 0 | 0 | 110.2 | D233 E234 Y483 I502 | L231-D233 PolarHBondContact O-N 2.96Å; L231-E234 HydrophobicContact CB-CG 4.14Å; L231-E234 PolarHBondContact O-N 2.96Å; L231-Y483 HydrophobicContact CD2-CD1 4.21Å; L231-Y483 HydrophobicContact CD2-CD2 4.43Å; L231-Y483 HydrophobicContact CD2-CE1 3.89Å; L231-Y483 HydrophobicContact CD2-CE2 4.1Å; L231-Y483 HydrophobicContact CD2-CG 4.47Å; L231-Y483 HydrophobicContact CG-CE1 4.48Å; L231-I502 HydrophobicContact CD1-CG1 4.1Å; L231-I502 HydrophobicContact CD2-CD1 4.24Å; L231-I502 HydrophobicContact CD2-CG1 4.31Å; L231-I502 HydrophobicContact CD2-CG2 4.42Å | ||
| 232 | P | 92.1 | Very high | 89.2 | Confident | 22 Ų | 22 | 24.7 Ų | 24.7 | 14% | 0.143 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.2 | -28 | -177.3 | 28.3 | -36.8 | 0 | 0 | 0 | 112.6 | E234 V235 E236 L505 | P232-E234 VanDerWaalsContact C-N 3.33Å; P232-E234 PolarHBondContact O-N 2.61Å; P232-V235 PolarHBondContact O-N 3.42Å; P232-E236 PolarHBondContact O-N 2.98Å; P232-L505 HydrophobicContact CB-CB 4.01Å; P232-L505 HydrophobicContact CG-CB 3.68Å |
| 233 | D | 89.4 | Confident | 89.6 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 178.3 | -54.5 | -85 | 0 | 0 | 0 | 111.6 | L231 V235 E236 H237 G503 V504 L505 G506 | L231-D233 PolarHBondContact O-N 2.96Å; D233-V235 VanDerWaalsContact C-N 3.35Å; D233-V235 PolarHBondContact O-N 3.31Å; D233-E236 PolarHBondContact O-N 2.68Å; D233-H237 PolarHBondContact O-CD2 2.69Å; D233-H237 PolarHBondContact O-N 2.81Å; D233-G503 WeakPolarHBondContact OD1-CA 3.32Å; D233-G503 PolarHBondContact OD2-N 3.38Å; D233-V504 PolarHBondContact OD1-N 3.03Å; D233-L505 VanDerWaalsContact OD1-CB 3.31Å; D233-L505 WeakPolarHBondContact OD1-CB 3.29Å; D233-L505 PolarHBondContact OD1-N 2.73Å; D233-L505 VanDerWaalsContact OD1-N 3.08Å; D233-G506 PolarHBondContact OD2-N 2.91Å |
| 234 | E | 88.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 178.8 | -51.9 | -69.8 | 173 | 0 | 0 | 112 | E173 Y176 L231 P232 C238 R497 | E173-E234 HydrophobicContact CB-CB 4.19Å; E173-E234 HydrophobicContact CB-CG 4.23Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.27Å; Y176-E234 PolarHBondContact OH-OE2 3.48Å; L231-E234 HydrophobicContact CB-CG 4.14Å; L231-E234 PolarHBondContact O-N 2.96Å; P232-E234 VanDerWaalsContact C-N 3.33Å; P232-E234 PolarHBondContact O-N 2.61Å; E234-C238 PolarHBondContact O-N 3.23Å; E234-R497 IonicContact OE1-NH2 3.43Å; E234-R497 PolarHBondContact OE1-NH2 2.84Å |
| 235 | V | 93 | Very high | 89.7 | Confident | 18 Ų | 18 | 21 Ų | 21 | 11% | 0.109 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | K206 L209 E210 V230 P232 D233 C238 Q239 | K206-V235 HydrophobicContact CG-CG1 4.1Å; L209-V235 HydrophobicContact CB-CG2 3.85Å; L209-V235 HydrophobicContact CD1-CG2 4.33Å; E210-V235 HydrophobicContact CG-CG1 3.58Å; V230-V235 HydrophobicContact CG1-CG2 3.9Å; P232-V235 PolarHBondContact O-N 3.42Å; D233-V235 VanDerWaalsContact C-N 3.35Å; D233-V235 PolarHBondContact O-N 3.31Å; V235-C238 WeakPolarHBondContact O-CB 3.49Å; V235-C238 PolarHBondContact O-N 2.97Å; V235-Q239 PolarHBondContact O-N 3.23Å |
| 236 | E | 89.2 | Confident | 90.1 | Very high | 24 Ų | 24 | 17.2 Ų | 17.2 | 11% | 0.112 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.1 | -32.9 | 179.9 | -171.2 | 57.8 | -153.5 | 0 | 0 | 112.2 | P232 D233 C238 Q239 S240 L505 Y549 C553 | P232-E236 PolarHBondContact O-N 2.98Å; D233-E236 PolarHBondContact O-N 2.68Å; E236-C238 VanDerWaalsContact C-N 3.35Å; E236-C238 PolarHBondContact O-N 3.04Å; E236-Q239 WeakPolarHBondContact O-CB 3.39Å; E236-Q239 PolarHBondContact O-N 3.44Å; E236-Q239 VanDerWaalsContact O-N 3.17Å; E236-S240 PolarHBondContact O-N 2.79Å; E236-L505 HydrophobicContact CB-CD1 3.81Å; E236-L505 HydrophobicContact CG-CD1 4.18Å; E236-Y549 HydrophobicContact CG-CE2 4.08Å; E236-Y549 WeakPolarHBondContact CG-OH 3.5Å; E236-C553 VanDerWaalsContact CD-SG 3.53Å; E236-C553 HydrophobicContact CG-CB 3.89Å; E236-C553 PolarHBondContact OE1-SG 2.75Å |
| 237 | H | 86.3 | Confident | 90.1 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 11% | 0.111 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 169.6 | -73 | -55.9 | 0 | 0 | 0 | 111.8 | Y176 D233 Q239 S240 I241 D843 | Y176-H237 HydrophobicContact CD1-CB 3.74Å; Y176-H237 HydrophobicContact CD2-CB 4.28Å; Y176-H237 HydrophobicContact CE1-CB 3.95Å; Y176-H237 HydrophobicContact CE2-CB 4.48Å; Y176-H237 HydrophobicContact CG-CB 3.91Å; D233-H237 PolarHBondContact O-CD2 2.69Å; D233-H237 PolarHBondContact O-N 2.81Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 3.1Å; H237-S240 PolarHBondContact O-N 3.36Å; H237-I241 WeakPolarHBondContact O-CG1 3.41Å; H237-I241 PolarHBondContact O-N 2.88Å; H237-D843 IonicContact CE1-OD1 2.73Å; H237-D843 IonicContact ND1-OD1 3.59Å |
| 238 | C | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 172.8 | -68.9 | 0 | 0 | 0 | 0 | 112 | V202 K206 E234 V235 E236 I241 L242 | V202-C238 HydrophobicContact CG1-CB 3.85Å; K206-C238 HydrophobicContact CB-CB 3.85Å; K206-C238 HydrophobicContact CD-CB 4.49Å; K206-C238 HydrophobicContact CG-CB 4.27Å; E234-C238 PolarHBondContact O-N 3.23Å; V235-C238 WeakPolarHBondContact O-CB 3.49Å; V235-C238 PolarHBondContact O-N 2.97Å; E236-C238 VanDerWaalsContact C-N 3.35Å; E236-C238 PolarHBondContact O-N 3.04Å; C238-I241 PolarHBondContact O-N 3.31Å; C238-L242 VanDerWaalsContact O-CG 3.27Å; C238-L242 WeakPolarHBondContact O-CG 3.14Å; C238-L242 PolarHBondContact O-N 2.97Å |
| 239 | Q | 90.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 19.8 Ų | 19.8 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.8 | 178.2 | 52.4 | 28.3 | 0 | 0 | 112.3 | K206 V235 E236 H237 I241 L242 F243 | K206-Q239 HydrophobicContact CD-CB 4.23Å; V235-Q239 PolarHBondContact O-N 3.23Å; E236-Q239 WeakPolarHBondContact O-CB 3.39Å; E236-Q239 PolarHBondContact O-N 3.44Å; E236-Q239 VanDerWaalsContact O-N 3.17Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 3.1Å; Q239-I241 VanDerWaalsContact C-N 3.32Å; Q239-I241 PolarHBondContact O-N 2.63Å; Q239-L242 PolarHBondContact O-N 3.2Å; Q239-F243 WeakPolarHBondContact O-CB 3.39Å; Q239-F243 PolarHBondContact O-N 3.31Å |
| 240 | S | 85.1 | Confident | 89.7 | Confident | 27 Ų | 27 | 19.5 Ų | 19.5 | 19% | 0.189 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | E236 H237 F243 S244 | E236-S240 PolarHBondContact O-N 2.79Å; H237-S240 PolarHBondContact O-N 3.36Å; S240-F243 PolarHBondContact O-N 2.69Å; S240-S244 PolarHBondContact O-N 3.17Å; S240-S244 PolarHBondContact O-OG 2.9Å |
| 241 | I | 85.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.6 | -65.7 | -99.5 | 0 | 0 | 0 | 111.4 | Y176 L197 V202 H237 C238 Q239 F243 S244 M245 | Y176-I241 WeakPolarHBondContact O-CD1 3.5Å; L197-I241 HydrophobicContact CD2-CD1 4.17Å; L197-I241 HydrophobicContact CD2-CG2 4Å; V202-I241 HydrophobicContact CG1-CB 4.33Å; V202-I241 HydrophobicContact CG1-CG2 4Å; V202-I241 HydrophobicContact CG2-CG2 4.22Å; H237-I241 WeakPolarHBondContact O-CG1 3.41Å; H237-I241 PolarHBondContact O-N 2.88Å; C238-I241 PolarHBondContact O-N 3.31Å; Q239-I241 VanDerWaalsContact C-N 3.32Å; Q239-I241 PolarHBondContact O-N 2.63Å; I241-F243 VanDerWaalsContact C-N 3.32Å; I241-F243 PolarHBondContact O-N 2.59Å; I241-S244 PolarHBondContact O-N 3.5Å; I241-S244 PolarHBondContact O-OG 2.65Å; I241-M245 HydrophobicContact CG2-CG 4.09Å; I241-M245 HydrophobicContact CG2-SD 3.51Å; I241-M245 VanDerWaalsContact CG2-SD 3.51Å; I241-M245 WeakPolarHBondContact O-CB 3.34Å; I241-M245 WeakPolarHBondContact O-CG 3.4Å; I241-M245 PolarHBondContact O-N 2.72Å |
| 242 | L | 90 | Very high | 89.1 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 178.2 | -71.9 | 168 | 0 | 0 | 0 | 111.7 | A199 V202 K206 C238 Q239 S244 M245 L246 I262 A269 | A199-L242 HydrophobicContact CB-CD2 4.29Å; A199-L242 WeakPolarHBondContact O-CD2 3.39Å; V202-L242 HydrophobicContact CB-CD2 4.16Å; V202-L242 HydrophobicContact CB-CG 4.46Å; V202-L242 HydrophobicContact CG1-CD1 4.39Å; V202-L242 HydrophobicContact CG1-CD2 4.17Å; V202-L242 HydrophobicContact CG1-CG 3.93Å; K206-L242 HydrophobicContact CB-CD1 4.35Å; K206-L242 HydrophobicContact CD-CD1 3.74Å; C238-L242 VanDerWaalsContact O-CG 3.27Å; C238-L242 WeakPolarHBondContact O-CG 3.14Å; C238-L242 PolarHBondContact O-N 2.97Å; Q239-L242 PolarHBondContact O-N 3.2Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.49Å; L242-M245 PolarHBondContact O-N 2.94Å; L242-L246 WeakPolarHBondContact O-CB 3.32Å; L242-L246 WeakPolarHBondContact O-CG 3.48Å; L242-L246 PolarHBondContact O-N 3.27Å; L242-I262 HydrophobicContact CD2-CD1 3.9Å; L242-A269 HydrophobicContact CD1-CB 4.38Å |
| 243 | F | 87.6 | Confident | 89 | Confident | 112 Ų | 112 | 21.2 Ų | 21.2 | 49% | 0.491 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 178.3 | -171.2 | -94.9 | 0 | 0 | 0 | 112.1 | Q239 S240 I241 D272 L275 | Q239-F243 WeakPolarHBondContact O-CB 3.39Å; Q239-F243 PolarHBondContact O-N 3.31Å; S240-F243 PolarHBondContact O-N 2.69Å; I241-F243 VanDerWaalsContact C-N 3.32Å; I241-F243 PolarHBondContact O-N 2.59Å; F243-D272 HydrophobicContact CE2-CB 4.37Å; F243-L275 HydrophobicContact CD2-CD2 3.9Å; F243-L275 HydrophobicContact CE2-CD2 4.45Å |
| 244 | S | 82.9 | Confident | 89.1 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 15% | 0.154 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -80.1 | -32.8 | 177.5 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | S240 I241 L242 R248 S846 Q848 | S240-S244 PolarHBondContact O-N 3.17Å; S240-S244 PolarHBondContact O-OG 2.9Å; I241-S244 PolarHBondContact O-N 3.5Å; I241-S244 PolarHBondContact O-OG 2.65Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.49Å; S244-R248 PolarHBondContact O-NH2 2.91Å; S244-S846 VanDerWaalsContact CB-O 3.23Å; S244-S846 WeakPolarHBondContact CB-O 3.41Å; S244-S846 PolarHBondContact OG-O 2.72Å; S244-Q848 PolarHBondContact O-NE2 3.41Å |
| 245 | M | 86.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 21.1 Ų | 21.1 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -78.6 | -45.8 | -175.6 | -76.3 | -173.6 | 76 | 0 | 0 | 112.2 | L197 A199 I241 L242 R248 A249 | L197-M245 HydrophobicContact CD2-SD 3.92Å; L197-M245 HydrophobicContact CG-SD 4.22Å; L197-M245 WeakPolarHBondContact O-CE 3.32Å; A199-M245 HydrophobicContact CB-CB 4.35Å; A199-M245 HydrophobicContact CB-CE 3.98Å; A199-M245 HydrophobicContact CB-SD 4.29Å; I241-M245 HydrophobicContact CG2-CG 4.09Å; I241-M245 HydrophobicContact CG2-SD 3.51Å; I241-M245 VanDerWaalsContact CG2-SD 3.51Å; I241-M245 WeakPolarHBondContact O-CB 3.34Å; I241-M245 WeakPolarHBondContact O-CG 3.4Å; I241-M245 PolarHBondContact O-N 2.72Å; L242-M245 PolarHBondContact O-N 2.94Å; M245-R248 CarbonylContact C-O 3.58Å; M245-R248 CarbonylContact O-C 3.59Å; M245-R248 WeakPolarHBondContact O-CA 3.48Å; M245-R248 WeakPolarHBondContact O-CB 3.31Å; M245-R248 PolarHBondContact O-N 2.9Å; M245-R248 PolarHBondContact O-NH2 3.03Å; M245-A249 VanDerWaalsContact CE-O 3.23Å; M245-A249 WeakPolarHBondContact CE-O 3.37Å |
| 246 | L | 91.9 | Very high | 89.6 | Confident | 10 Ų | 10 | 20.5 Ų | 20.5 | 5% | 0.052 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 146.5 | -173.9 | -68.4 | 175.5 | 0 | 0 | 0 | 112.4 | A199 L242 R248 L259 I262 I263 V270 L275 T279 | A199-L246 HydrophobicContact CB-CD2 4.41Å; L242-L246 WeakPolarHBondContact O-CB 3.32Å; L242-L246 WeakPolarHBondContact O-CG 3.48Å; L242-L246 PolarHBondContact O-N 3.27Å; L246-R248 VanDerWaalsContact C-N 3.32Å; L246-L259 HydrophobicContact CD2-CD1 3.8Å; L246-L259 HydrophobicContact CD2-CD2 3.93Å; L246-L259 HydrophobicContact CD2-CG 4.34Å; L246-I262 HydrophobicContact CD2-CD1 4.48Å; L246-I263 HydrophobicContact CD1-CG2 4.45Å; L246-V270 HydrophobicContact CD1-CG1 4.34Å; L246-V270 HydrophobicContact CD1-CG2 3.44Å; L246-V270 VanDerWaalsContact CD1-CG2 3.44Å; L246-L275 HydrophobicContact CB-CD1 3.8Å; L246-L275 HydrophobicContact CB-CD2 4.03Å; L246-L275 HydrophobicContact CB-CG 3.95Å; L246-L275 HydrophobicContact CD1-CD2 4.26Å; L246-L275 HydrophobicContact CD1-CG 4.38Å; L246-T279 HydrophobicContact CD2-CG2 4.15Å |
| 247 | P | 93 | Very high | 89.9 | Confident | 38 Ų | 38 | 19.3 Ų | 19.3 | 25% | 0.247 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -79.5 | -2.1 | 6.6 | 33.9 | -38.3 | 0 | 0 | 0 | 114.8 | I255 L259 V278 T279 E282 | P247-I255 HydrophobicContact CB-CD1 4.28Å; P247-I255 WeakPolarHBondContact O-CD1 3.25Å; P247-L259 WeakPolarHBondContact O-CD1 3.46Å; P247-V278 HydrophobicContact CG-CG1 4.31Å; P247-T279 HydrophobicContact CB-CG2 4.18Å; P247-E282 HydrophobicContact CB-CB 4.39Å; P247-E282 HydrophobicContact CB-CG 4.26Å; P247-E282 HydrophobicContact CG-CG 4.19Å |
| 248 | R | 91.4 | Very high | 90.4 | Very high | 42 Ų | 42 | 18.3 Ų | 18.3 | 16% | 0.158 | 10% | 0.097 | C | C | . | . | trans | -74.3 | 144.7 | -179.3 | 161.7 | -164.6 | 60.1 | -108.2 | -29.7 | 111.4 | S244 M245 L246 S250 K253 E254 | S244-R248 PolarHBondContact O-NH2 2.91Å; M245-R248 CarbonylContact C-O 3.58Å; M245-R248 CarbonylContact O-C 3.59Å; M245-R248 WeakPolarHBondContact O-CA 3.48Å; M245-R248 WeakPolarHBondContact O-CB 3.31Å; M245-R248 PolarHBondContact O-N 2.9Å; M245-R248 PolarHBondContact O-NH2 3.03Å; L246-R248 VanDerWaalsContact C-N 3.32Å; R248-S250 WeakPolarHBondContact CD-O 3.39Å; R248-S250 WeakPolarHBondContact CG-O 3.16Å; R248-K253 VanDerWaalsContact CG-O 3.28Å; R248-K253 WeakPolarHBondContact CG-O 3.21Å; R248-E254 VanDerWaalsContact CA-O 3.25Å; R248-E254 WeakPolarHBondContact CA-O 3.19Å; R248-E254 WeakPolarHBondContact CB-O 3.34Å | ||
| 249 | A | 91.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | trans | -87.3 | -36.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A199 M245 K253 D256 L259 | A199-A249 WeakPolarHBondContact CB-O 3.46Å; A199-A249 PolarHBondContact N-O 3.23Å; M245-A249 VanDerWaalsContact CE-O 3.23Å; M245-A249 WeakPolarHBondContact CE-O 3.37Å; A249-K253 HydrophobicContact CB-CB 4.11Å; A249-K253 PolarHBondContact N-O 3.35Å; A249-K253 VanDerWaalsContact N-O 3.12Å; A249-D256 HydrophobicContact CB-CB 3.33Å; A249-L259 HydrophobicContact CB-CD1 4.14Å; A249-L259 HydrophobicContact CB-CD2 4.24Å; A249-L259 HydrophobicContact CB-CG 4.33Å | ||
| 250 | S | 90.5 | Very high | 91 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -162.6 | -179.5 | 179.9 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | E196 L197 R248 S252 K253 | E196-S250 WeakPolarHBondContact OE1-CB 3.5Å; E196-S250 PolarHBondContact OE1-OG 3.24Å; E196-S250 PolarHBondContact OE2-OG 3.45Å; L197-S250 WeakPolarHBondContact O-CB 3.44Å; R248-S250 WeakPolarHBondContact CD-O 3.39Å; R248-S250 WeakPolarHBondContact CG-O 3.16Å; S250-S252 PolarHBondContact O-N 3.02Å; S250-S252 PolarHBondContact OG-N 2.97Å; S250-K253 PolarHBondContact N-O 3.08Å; S250-K253 PolarHBondContact O-N 2.73Å; S250-K253 WeakPolarHBondContact OG-CB 3.18Å; S250-K253 WeakPolarHBondContact OG-CG 3.27Å; S250-K253 PolarHBondContact OG-N 3.03Å |
| 251 | T | 86.4 | Confident | 91.6 | Very high | 60 Ų | 60 | 16.7 Ų | 16.7 | 37% | 0.368 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -58.7 | -34.4 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 113 | I1118 K1119 | T251-I1118 HydrophobicContact CG2-CB 4.03Å; T251-I1118 HydrophobicContact CG2-CG2 4.01Å; T251-I1118 PolarHBondContact O-N 3.13Å; T251-K1119 HydrophobicContact CG2-CB 4.29Å; T251-K1119 PolarHBondContact O-N 3.09Å; T251-K1119 VanDerWaalsContact O-N 3.13Å |
| 252 | S | 88.4 | Confident | 92.1 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -102.7 | -7.6 | -178.2 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | K189 E196 S250 E1117 | K189-S252 WeakPolarHBondContact CD-O 3.44Å; K189-S252 PolarHBondContact N-OG 2.88Å; E196-S252 PolarHBondContact OE1-OG 2.88Å; E196-S252 WeakPolarHBondContact OE2-CB 3.36Å; E196-S252 PolarHBondContact OE2-N 2.84Å; E196-S252 PolarHBondContact OE2-OG 3.41Å; S250-S252 PolarHBondContact O-N 3.02Å; S250-S252 PolarHBondContact OG-N 2.97Å; S252-E1117 WeakPolarHBondContact O-CG 3.32Å |
| 253 | K | 91 | Very high | 92.5 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | trans | -121.9 | 103.5 | 179.1 | -56.8 | -175.9 | -164.4 | 87 | 0 | 110.8 | G187 K189 E196 N198 R248 A249 S250 I255 F296 | G187-K253 PolarHBondContact O-NZ 3.41Å; K189-K253 HydrophobicContact CB-CG 4.18Å; E196-K253 IonicContact OE1-NZ 3.36Å; E196-K253 PolarHBondContact OE1-NZ 3.49Å; N198-K253 PolarHBondContact OD1-NZ 3.29Å; R248-K253 VanDerWaalsContact CG-O 3.28Å; R248-K253 WeakPolarHBondContact CG-O 3.21Å; A249-K253 HydrophobicContact CB-CB 4.11Å; A249-K253 PolarHBondContact N-O 3.35Å; A249-K253 VanDerWaalsContact N-O 3.12Å; S250-K253 PolarHBondContact N-O 3.08Å; S250-K253 PolarHBondContact O-N 2.73Å; S250-K253 WeakPolarHBondContact OG-CB 3.18Å; S250-K253 WeakPolarHBondContact OG-CG 3.27Å; S250-K253 PolarHBondContact OG-N 3.03Å; K253-I255 PolarHBondContact O-N 3.26Å; K253-F296 HydrophobicContact CD-CB 4.44Å; K253-F296 HydrophobicContact CD-CD1 3.99Å; K253-F296 HydrophobicContact CD-CD2 4.4Å; K253-F296 HydrophobicContact CD-CE1 4.37Å; K253-F296 HydrophobicContact CD-CG 4.03Å | ||
| 254 | E | 91.7 | Very high | 92.9 | Very high | 19 Ų | 19 | 11.9 Ų | 11.9 | 9% | 0.089 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -62.9 | -22.3 | 179.4 | 65.2 | 166.2 | -116 | 0 | 0 | 114.3 | R248 K286 L297 T1114 H1116 E1117 | R248-E254 VanDerWaalsContact CA-O 3.25Å; R248-E254 WeakPolarHBondContact CA-O 3.19Å; R248-E254 WeakPolarHBondContact CB-O 3.34Å; E254-K286 IonicContact OE1-NZ 2.91Å; E254-K286 PolarHBondContact OE1-NZ 3.36Å; E254-L297 HydrophobicContact CG-CD1 4.01Å; E254-L297 WeakPolarHBondContact OE1-CD1 3.36Å; E254-T1114 WeakPolarHBondContact OE2-CB 3.42Å; E254-T1114 PolarHBondContact OE2-OG1 2.93Å; E254-H1116 HydrophobicContact CB-CB 4.18Å; E254-H1116 WeakPolarHBondContact OE2-CB 3.36Å; E254-H1116 IonicContact OE2-CG 3.38Å; E254-H1116 IonicContact OE2-ND1 2.87Å; E254-E1117 HydrophobicContact CB-CG 4.35Å |
| 255 | I | 94.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | trans | -159.8 | 151.5 | 174.4 | -168.6 | 60.5 | 0 | 0 | 0 | 109.3 | P247 K253 L259 E282 I283 K286 L287 F296 L297 | P247-I255 HydrophobicContact CB-CD1 4.28Å; P247-I255 WeakPolarHBondContact O-CD1 3.25Å; K253-I255 PolarHBondContact O-N 3.26Å; I255-L259 HydrophobicContact CD1-CD1 4.11Å; I255-E282 HydrophobicContact CD1-CB 3.95Å; I255-E282 HydrophobicContact CG1-CB 4.36Å; I255-I283 HydrophobicContact CD1-CG1 3.84Å; I255-I283 HydrophobicContact CG1-CG1 4Å; I255-K286 HydrophobicContact CG2-CB 4.34Å; I255-K286 HydrophobicContact CG2-CD 4.09Å; I255-L287 HydrophobicContact CG1-CD1 4.11Å; I255-L287 HydrophobicContact CG2-CD1 4.07Å; I255-L287 HydrophobicContact CG2-CD2 3.98Å; I255-L287 HydrophobicContact CG2-CG 4.03Å; I255-F296 WeakPolarHBondContact O-CB 3.46Å; I255-L297 HydrophobicContact CG2-CD1 4.37Å; I255-L297 HydrophobicContact CG2-CG 4.3Å | ||
| 256 | D | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | B | Isolated β-bridge | trans | -147.2 | 136.3 | 176.5 | -167.4 | -60.6 | 0 | 0 | 0 | 110.3 | W184 A249 G258 L259 R295 F296 | W184-D256 VanDerWaalsContact CD1-OD2 3.27Å; W184-D256 VanDerWaalsContact NE1-CG 3.34Å; W184-D256 PolarHBondContact NE1-OD1 3.26Å; W184-D256 PolarHBondContact NE1-OD2 3.43Å; A249-D256 HydrophobicContact CB-CB 3.33Å; D256-G258 PolarHBondContact O-N 3.47Å; D256-G258 WeakPolarHBondContact OD1-CA 3.22Å; D256-G258 PolarHBondContact OD1-N 2.89Å; D256-L259 HydrophobicContact CB-CG 4.4Å; D256-L259 WeakPolarHBondContact O-CB 3.32Å; D256-L259 VanDerWaalsContact O-CG 3.23Å; D256-L259 WeakPolarHBondContact O-CG 3.26Å; D256-L259 PolarHBondContact O-N 3.37Å; D256-R295 CarbonylContact C-O 3.42Å; D256-R295 WeakPolarHBondContact CA-O 3.36Å; D256-F296 HydrophobicContact CB-CB 4.45Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.39Å |
| 257 | A | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -69.5 | -20.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L259 L260 I283 L287 C293 C294 R295 F331 | A257-L259 PolarHBondContact O-N 2.99Å; A257-L260 WeakPolarHBondContact O-CB 3.38Å; A257-L260 WeakPolarHBondContact O-CG 3.24Å; A257-L260 PolarHBondContact O-N 3.3Å; A257-L260 VanDerWaalsContact O-N 3.09Å; A257-I283 HydrophobicContact CB-CG2 4.36Å; A257-L287 HydrophobicContact CB-CD1 3.95Å; A257-C293 HydrophobicContact CB-CB 4.21Å; A257-C294 WeakPolarHBondContact CB-O 3.24Å; A257-R295 PolarHBondContact N-O 3.47Å; A257-F331 HydrophobicContact CB-CD1 3.84Å; A257-F331 HydrophobicContact CB-CD2 3.96Å; A257-F331 HydrophobicContact CB-CE1 3.52Å; A257-F331 HydrophobicContact CB-CE2 3.63Å; A257-F331 HydrophobicContact CB-CG 4.04Å; A257-F331 HydrophobicContact CB-CZ 3.4Å; A257-F331 VanDerWaalsContact CB-CZ 3.4Å; A257-F331 WeakPolarHBondContact O-CE1 3.19Å |
| 258 | G | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 9 Ų | 9 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -57.1 | -23.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M183 D256 L260 S261 | M183-G258 WeakPolarHBondContact SD-CA 3.3Å; D256-G258 PolarHBondContact O-N 3.47Å; D256-G258 WeakPolarHBondContact OD1-CA 3.22Å; D256-G258 PolarHBondContact OD1-N 2.89Å; G258-L260 PolarHBondContact O-N 3.06Å; G258-S261 WeakPolarHBondContact O-CB 3.31Å; G258-S261 PolarHBondContact O-N 3.1Å; G258-S261 VanDerWaalsContact O-N 3.09Å; G258-S261 PolarHBondContact O-OG 3.04Å |
| 259 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -63.1 | -20.6 | 175.5 | -58.6 | 176.2 | 0 | 0 | 0 | 112.8 | A199 L246 P247 A249 I255 D256 A257 S261 I262 I263 T279 I283 | A199-L259 HydrophobicContact CB-CD2 3.78Å; L246-L259 HydrophobicContact CD2-CD1 3.8Å; L246-L259 HydrophobicContact CD2-CD2 3.93Å; L246-L259 HydrophobicContact CD2-CG 4.34Å; P247-L259 WeakPolarHBondContact O-CD1 3.46Å; A249-L259 HydrophobicContact CB-CD1 4.14Å; A249-L259 HydrophobicContact CB-CD2 4.24Å; A249-L259 HydrophobicContact CB-CG 4.33Å; I255-L259 HydrophobicContact CD1-CD1 4.11Å; D256-L259 HydrophobicContact CB-CG 4.4Å; D256-L259 WeakPolarHBondContact O-CB 3.32Å; D256-L259 VanDerWaalsContact O-CG 3.23Å; D256-L259 WeakPolarHBondContact O-CG 3.26Å; D256-L259 PolarHBondContact O-N 3.37Å; A257-L259 PolarHBondContact O-N 2.99Å; L259-S261 PolarHBondContact O-N 2.91Å; L259-I262 HydrophobicContact CD2-CD1 4Å; L259-I262 WeakPolarHBondContact O-CG1 3.46Å; L259-I262 PolarHBondContact O-N 3.16Å; L259-I263 PolarHBondContact O-N 2.87Å; L259-T279 HydrophobicContact CB-CG2 4.19Å; L259-T279 HydrophobicContact CD1-CG2 3.99Å; L259-I283 HydrophobicContact CB-CD1 4.06Å |
| 260 | L | 97.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 6.9 Ų | 6.9 | 3% | 0.026 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -55.6 | -34.1 | 172 | -71.1 | 172.4 | 0 | 0 | 0 | 112.3 | A257 G258 I262 I263 S264 I283 F331 Y334 F335 | A257-L260 WeakPolarHBondContact O-CB 3.38Å; A257-L260 WeakPolarHBondContact O-CG 3.24Å; A257-L260 PolarHBondContact O-N 3.3Å; A257-L260 VanDerWaalsContact O-N 3.09Å; G258-L260 PolarHBondContact O-N 3.06Å; L260-I262 PolarHBondContact O-N 3.42Å; L260-I263 HydrophobicContact CD2-CD1 4.19Å; L260-S264 PolarHBondContact O-N 3.26Å; L260-I283 HydrophobicContact CD1-CG2 4.29Å; L260-I283 HydrophobicContact CD2-CD1 3.99Å; L260-I283 HydrophobicContact CG-CD1 3.89Å; L260-I283 HydrophobicContact CG-CG2 4.41Å; L260-F331 HydrophobicContact CD1-CB 4.12Å; L260-F331 HydrophobicContact CD1-CD1 3.86Å; L260-F331 HydrophobicContact CD1-CG 4.36Å; L260-Y334 HydrophobicContact CB-CD1 4.38Å; L260-Y334 HydrophobicContact CB-CG 4.34Å; L260-F335 HydrophobicContact CD1-CE1 4.08Å; L260-F335 HydrophobicContact CD1-CZ 3.98Å; L260-F335 HydrophobicContact CD2-CD1 4.34Å; L260-F335 HydrophobicContact CD2-CE1 3.66Å; L260-F335 HydrophobicContact CD2-CZ 4.25Å |
| 261 | S | 96.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 8.3 Ų | 8.3 | 4% | 0.035 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.3 | -19.8 | 179.6 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | G258 L259 P266 A267 | G258-S261 WeakPolarHBondContact O-CB 3.31Å; G258-S261 PolarHBondContact O-N 3.1Å; G258-S261 VanDerWaalsContact O-N 3.09Å; G258-S261 PolarHBondContact O-OG 3.04Å; L259-S261 PolarHBondContact O-N 2.91Å; S261-P266 WeakPolarHBondContact O-CD 3.41Å; S261-A267 VanDerWaalsContact O-CB 3.24Å; S261-A267 WeakPolarHBondContact O-CB 3.5Å; S261-A267 PolarHBondContact O-N 3.08Å; S261-A267 VanDerWaalsContact O-N 3.14Å |
| 262 | I | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -107.4 | -30.7 | -178.2 | 67 | 164.2 | 0 | 0 | 0 | 113.7 | A199 S200 M204 L242 L246 L259 L260 S264 A267 F268 A269 | A199-I262 WeakPolarHBondContact O-CD1 3.39Å; S200-I262 WeakPolarHBondContact O-CG2 3.36Å; M204-I262 HydrophobicContact CE-CG2 4.49Å; L242-I262 HydrophobicContact CD2-CD1 3.9Å; L246-I262 HydrophobicContact CD2-CD1 4.48Å; L259-I262 HydrophobicContact CD2-CD1 4Å; L259-I262 WeakPolarHBondContact O-CG1 3.46Å; L259-I262 PolarHBondContact O-N 3.16Å; L260-I262 PolarHBondContact O-N 3.42Å; I262-S264 VanDerWaalsContact C-N 3.33Å; I262-A267 HydrophobicContact CB-CB 4.46Å; I262-A267 HydrophobicContact CG2-CB 4.36Å; I262-F268 CarbonylContact O-C 3.52Å; I262-A269 HydrophobicContact CB-CB 4.31Å; I262-A269 PolarHBondContact O-N 3.18Å |
| 263 | I | 97.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 11 Ų | 11 | 5% | 0.051 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -81.3 | -18.3 | 176.3 | 71.7 | 178.5 | 0 | 0 | 0 | 112.1 | L246 L259 L260 V270 V276 T279 K280 | L246-I263 HydrophobicContact CD1-CG2 4.45Å; L259-I263 PolarHBondContact O-N 2.87Å; L260-I263 HydrophobicContact CD2-CD1 4.19Å; I263-V270 HydrophobicContact CG2-CG2 3.99Å; I263-V276 HydrophobicContact CB-CG1 4.22Å; I263-V276 HydrophobicContact CB-CG2 4.32Å; I263-T279 HydrophobicContact CD1-CG2 4.15Å; I263-T279 HydrophobicContact CG2-CG2 4.09Å; I263-K280 HydrophobicContact CD1-CB 3.94Å |
| 264 | S | 95.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -135.9 | -157.2 | 179.7 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | L260 I262 A267 F268 D338 | L260-S264 PolarHBondContact O-N 3.26Å; I262-S264 VanDerWaalsContact C-N 3.33Å; S264-A267 PolarHBondContact O-N 2.94Å; S264-A267 VanDerWaalsContact O-N 3.14Å; S264-F268 PolarHBondContact O-N 2.87Å; S264-D338 WeakPolarHBondContact CB-OD1 3.43Å; S264-D338 WeakPolarHBondContact OG-CB 3.46Å; S264-D338 PolarHBondContact OG-OD1 3.22Å |
| 265 | F | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.7 | 175.7 | 180 | -91.8 | 0 | 0 | 0 | 110.6 | L52 F144 F268 Y334 I337 F341 L406 L409 I423 | L52-F265 HydrophobicContact CD1-CE1 4.21Å; L52-F265 HydrophobicContact CD1-CZ 4.24Å; F144-F265 HydrophobicContact CE1-CZ 4.47Å; F144-F265 HydrophobicContact CZ-CZ 4.07Å; F265-F268 HydrophobicContact CB-CE2 4.11Å; F265-F268 HydrophobicContact CB-CZ 3.79Å; F265-F268 HydrophobicContact CD2-CE2 4.14Å; F265-F268 HydrophobicContact CD2-CZ 4.44Å; F265-Y334 WeakPolarHBondContact O-CD1 3.19Å; F265-Y334 VanDerWaalsContact O-CE1 3.24Å; F265-Y334 WeakPolarHBondContact O-CE1 3.36Å; F265-I337 HydrophobicContact CB-CG2 3.61Å; F265-I337 HydrophobicContact CD1-CD1 4.24Å; F265-I337 HydrophobicContact CD1-CG2 3.94Å; F265-I337 HydrophobicContact CG-CG2 3.79Å; F265-F341 HydrophobicContact CB-CD2 4.31Å; F265-F341 HydrophobicContact CB-CE2 3.96Å; F265-F341 AromaticContact CD2-CE2 3.77Å; F265-F341 HydrophobicContact CD2-CE2 3.77Å; F265-F341 AromaticContact CD2-CZ 3.83Å; F265-F341 HydrophobicContact CD2-CZ 3.83Å; F265-F341 HydrophobicContact CG-CE2 4.07Å; F265-L406 HydrophobicContact CE1-CD2 4.37Å; F265-L409 HydrophobicContact CE1-CD2 4.06Å; F265-L409 HydrophobicContact CZ-CD2 4.05Å; F265-I423 HydrophobicContact CD2-CD1 4.21Å; F265-I423 HydrophobicContact CE2-CD1 3.8Å; F265-I423 HydrophobicContact CE2-CG1 4.34Å; F265-I423 HydrophobicContact CZ-CD1 4.24Å |
| 266 | P | 96.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.8 | -15.2 | 8.2 | 35.6 | -37 | 0 | 0 | 0 | 116 | Y49 L140 L143 F144 M204 S261 | Y49-P266 HydrophobicContact CE1-CG 4.24Å; L140-P266 HydrophobicContact CD1-CG 4.16Å; L143-P266 HydrophobicContact CD2-CB 4.3Å; L143-P266 HydrophobicContact CD2-CG 4.43Å; F144-P266 HydrophobicContact CE2-CB 3.78Å; F144-P266 HydrophobicContact CE2-CG 4.01Å; F144-P266 HydrophobicContact CZ-CB 3.56Å; F144-P266 HydrophobicContact CZ-CG 4.25Å; M204-P266 HydrophobicContact CE-CG 4.21Å; S261-P266 WeakPolarHBondContact O-CD 3.41Å |
| 267 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -37.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114 | L143 M204 A207 S261 I262 S264 A269 R428 | L143-A267 HydrophobicContact CD2-CB 4.4Å; M204-A267 HydrophobicContact CE-CB 4.09Å; M204-A267 HydrophobicContact SD-CB 4.01Å; A207-A267 HydrophobicContact CB-CB 3.53Å; A207-A267 WeakPolarHBondContact CB-O 3.37Å; S261-A267 VanDerWaalsContact O-CB 3.24Å; S261-A267 WeakPolarHBondContact O-CB 3.5Å; S261-A267 PolarHBondContact O-N 3.08Å; S261-A267 VanDerWaalsContact O-N 3.14Å; I262-A267 HydrophobicContact CB-CB 4.46Å; I262-A267 HydrophobicContact CG2-CB 4.36Å; S264-A267 PolarHBondContact O-N 2.94Å; S264-A267 VanDerWaalsContact O-N 3.14Å; A267-A269 HydrophobicContact CB-CB 4.34Å; A267-A269 PolarHBondContact O-N 2.91Å; A267-A269 VanDerWaalsContact O-N 3.15Å; A267-R428 VanDerWaalsContact O-CZ 3.25Å; A267-R428 PolarHBondContact O-NE 3.37Å; A267-R428 PolarHBondContact O-NH2 3.49Å |
| 268 | F | 97 | Very high | 95.6 | Very high | 14 Ų | 14 | 23.4 Ų | 23.4 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | trans | 46.6 | 40.1 | -173 | -55.6 | -79.5 | 0 | 0 | 0 | 113.2 | I262 S264 F265 V270 F341 R428 R429 S431 | I262-F268 CarbonylContact O-C 3.52Å; S264-F268 PolarHBondContact O-N 2.87Å; F265-F268 HydrophobicContact CB-CE2 4.11Å; F265-F268 HydrophobicContact CB-CZ 3.79Å; F265-F268 HydrophobicContact CD2-CE2 4.14Å; F265-F268 HydrophobicContact CD2-CZ 4.44Å; F268-V270 PolarHBondContact O-N 3.28Å; F268-F341 HydrophobicContact CE1-CD1 4.23Å; F268-F341 HydrophobicContact CE1-CG 4.32Å; F268-F341 HydrophobicContact CE2-CD1 4.5Å; F268-F341 HydrophobicContact CE2-CE1 4.1Å; F268-F341 HydrophobicContact CE2-CZ 4.26Å; F268-F341 AromaticContact CZ-CD1 3.63Å; F268-F341 HydrophobicContact CZ-CD1 3.63Å; F268-F341 HydrophobicContact CZ-CD2 4.1Å; F268-F341 AromaticContact CZ-CE1 3.63Å; F268-F341 HydrophobicContact CZ-CE1 3.63Å; F268-F341 HydrophobicContact CZ-CE2 4.12Å; F268-F341 AromaticContact CZ-CG 3.87Å; F268-F341 HydrophobicContact CZ-CG 3.87Å; F268-F341 AromaticContact CZ-CZ 3.9Å; F268-F341 HydrophobicContact CZ-CZ 3.9Å; F268-R428 HydrophobicContact CB-CB 4.19Å; F268-R428 WeakPolarHBondContact CB-O 3.44Å; F268-R428 HydrophobicContact CD2-CB 4.01Å; F268-R429 HydrophobicContact CD1-CB 4.26Å; F268-R429 HydrophobicContact CD2-CB 4.39Å; F268-R429 HydrophobicContact CE1-CB 4.02Å; F268-R429 HydrophobicContact CE2-CB 4.14Å; F268-R429 HydrophobicContact CG-CB 4.44Å; F268-R429 HydrophobicContact CZ-CB 3.95Å; F268-S431 VanDerWaalsContact O-CB 3.3Å; F268-S431 WeakPolarHBondContact O-CB 3.31Å; F268-S431 PolarHBondContact O-OG 3.14Å | ||
| 269 | A | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -74.5 | -25.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G203 K206 A207 L242 I262 A267 | G203-A269 WeakPolarHBondContact O-CB 3.45Å; K206-A269 HydrophobicContact CD-CB 4.49Å; K206-A269 PolarHBondContact NZ-O 3Å; A207-A269 HydrophobicContact CB-CB 4.36Å; L242-A269 HydrophobicContact CD1-CB 4.38Å; I262-A269 HydrophobicContact CB-CB 4.31Å; I262-A269 PolarHBondContact O-N 3.18Å; A267-A269 HydrophobicContact CB-CB 4.34Å; A267-A269 PolarHBondContact O-N 2.91Å; A267-A269 VanDerWaalsContact O-N 3.15Å | ||
| 270 | V | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | trans | -91.5 | 124.6 | -174.6 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | L246 I263 F268 L275 V276 T432 | L246-V270 HydrophobicContact CD1-CG1 4.34Å; L246-V270 HydrophobicContact CD1-CG2 3.44Å; L246-V270 VanDerWaalsContact CD1-CG2 3.44Å; I263-V270 HydrophobicContact CG2-CG2 3.99Å; F268-V270 PolarHBondContact O-N 3.28Å; V270-L275 HydrophobicContact CG1-CB 4.27Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG1-CG 4.28Å; V270-V276 HydrophobicContact CB-CG2 3.8Å; V270-V276 HydrophobicContact CG1-CG2 3.77Å; V270-T432 WeakPolarHBondContact O-CG2 3.35Å | ||
| 271 | E | 90.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | trans | -88.3 | -24.9 | -176 | -48.2 | -168.3 | 146.7 | 0 | 0 | 113.9 | K206 V273 T432 K435 R555 | K206-E271 IonicContact NZ-OE1 3.49Å; E271-V273 PolarHBondContact O-N 3.41Å; E271-T432 WeakPolarHBondContact O-CA 3.3Å; E271-K435 IonicContact OE1-NZ 3.02Å; E271-K435 PolarHBondContact OE1-NZ 3.36Å; E271-K435 IonicContact OE2-NZ 3.95Å; E271-K435 PolarHBondContact OE2-NZ 3.02Å; E271-R555 IonicContact OE1-NE 3.66Å; E271-R555 IonicContact OE2-CZ 3.27Å; E271-R555 IonicContact OE2-NE 3.33Å; E271-R555 PolarHBondContact OE2-NE 3.03Å; E271-R555 IonicContact OE2-NH2 3.81Å; E271-R555 PolarHBondContact OE2-NH2 3.33Å | ||
| 272 | D | 91.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | trans | -86.8 | 111 | 179.9 | -175.9 | -8.7 | 0 | 0 | 0 | 110.8 | F243 N274 L275 V276 | F243-D272 HydrophobicContact CE2-CB 4.37Å; D272-N274 PolarHBondContact O-N 2.74Å; D272-N274 WeakPolarHBondContact OD1-CB 3.42Å; D272-N274 PolarHBondContact OD1-N 3.23Å; D272-N274 PolarHBondContact OD1-ND2 3.27Å; D272-L275 HydrophobicContact CB-CB 3.91Å; D272-L275 WeakPolarHBondContact O-CB 3.18Å; D272-L275 PolarHBondContact O-N 2.81Å; D272-L275 VanDerWaalsContact O-N 3.11Å; D272-V276 WeakPolarHBondContact O-CG2 3.29Å; D272-V276 PolarHBondContact O-N 3.03Å | ||
| 273 | V | 92.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 42% | 0.418 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.9 | -33.1 | 178.2 | 69.5 | 0 | 0 | 0 | 0 | 113 | E271 V276 N277 | E271-V273 PolarHBondContact O-N 3.41Å; V273-V276 PolarHBondContact O-N 3.27Å; V273-N277 WeakPolarHBondContact O-CB 3.34Å; V273-N277 PolarHBondContact O-N 3.44Å; V273-N277 PolarHBondContact O-ND2 3Å; V273-N277 VanDerWaalsContact O-ND2 3.17Å |
| 274 | N | 95.1 | Very high | 95.8 | Very high | 107 Ų | 107 | 33.4 Ų | 33.4 | 57% | 0.572 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -68.2 | -42.1 | 177.5 | -62.2 | -53.5 | 0 | 0 | 0 | 110.2 | D272 N277 V278 | D272-N274 PolarHBondContact O-N 2.74Å; D272-N274 WeakPolarHBondContact OD1-CB 3.42Å; D272-N274 PolarHBondContact OD1-N 3.23Å; D272-N274 PolarHBondContact OD1-ND2 3.27Å; N274-N277 PolarHBondContact O-N 3.28Å; N274-V278 WeakPolarHBondContact O-CB 3.39Å; N274-V278 VanDerWaalsContact O-CG2 3.26Å; N274-V278 WeakPolarHBondContact O-CG2 3.46Å; N274-V278 PolarHBondContact O-N 3.4Å |
| 275 | L | 94.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 177.4 | -171.7 | 58.5 | 0 | 0 | 0 | 111.7 | F243 L246 V270 D272 T279 | F243-L275 HydrophobicContact CD2-CD2 3.9Å; F243-L275 HydrophobicContact CE2-CD2 4.45Å; L246-L275 HydrophobicContact CB-CD1 3.8Å; L246-L275 HydrophobicContact CB-CD2 4.03Å; L246-L275 HydrophobicContact CB-CG 3.95Å; L246-L275 HydrophobicContact CD1-CD2 4.26Å; L246-L275 HydrophobicContact CD1-CG 4.38Å; V270-L275 HydrophobicContact CG1-CB 4.27Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG1-CG 4.28Å; D272-L275 HydrophobicContact CB-CB 3.91Å; D272-L275 WeakPolarHBondContact O-CB 3.18Å; D272-L275 PolarHBondContact O-N 2.81Å; D272-L275 VanDerWaalsContact O-N 3.11Å; L275-T279 VanDerWaalsContact O-CB 3.31Å; L275-T279 WeakPolarHBondContact O-CB 3.39Å; L275-T279 PolarHBondContact O-N 2.89Å; L275-T279 PolarHBondContact O-OG1 3.23Å |
| 276 | V | 96.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.6 | -51.4 | 171.3 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | I263 V270 D272 V273 T279 K280 T432 | I263-V276 HydrophobicContact CB-CG1 4.22Å; I263-V276 HydrophobicContact CB-CG2 4.32Å; V270-V276 HydrophobicContact CB-CG2 3.8Å; V270-V276 HydrophobicContact CG1-CG2 3.77Å; D272-V276 WeakPolarHBondContact O-CG2 3.29Å; D272-V276 PolarHBondContact O-N 3.03Å; V273-V276 PolarHBondContact O-N 3.27Å; V276-T279 PolarHBondContact O-N 2.94Å; V276-K280 WeakPolarHBondContact O-CB 3.48Å; V276-K280 PolarHBondContact O-N 3.13Å; V276-T432 HydrophobicContact CG2-CG2 4.34Å |
| 277 | N | 96.3 | Very high | 95.8 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -43.5 | -178.4 | -71.5 | -27.1 | 0 | 0 | 0 | 112.5 | V273 N274 K280 N281 | V273-N277 WeakPolarHBondContact O-CB 3.34Å; V273-N277 PolarHBondContact O-N 3.44Å; V273-N277 PolarHBondContact O-ND2 3Å; V273-N277 VanDerWaalsContact O-ND2 3.17Å; N274-N277 PolarHBondContact O-N 3.28Å; N277-K280 PolarHBondContact O-N 3.43Å; N277-N281 VanDerWaalsContact O-CB 3.31Å; N277-N281 WeakPolarHBondContact O-CB 3.21Å; N277-N281 PolarHBondContact O-N 2.64Å; N277-N281 PolarHBondContact O-ND2 3.21Å; N277-N281 VanDerWaalsContact O-ND2 3.17Å |
| 278 | V | 97.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 44% | 0.436 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | P247 N274 N281 E282 | P247-V278 HydrophobicContact CG-CG1 4.31Å; N274-V278 WeakPolarHBondContact O-CB 3.39Å; N274-V278 VanDerWaalsContact O-CG2 3.26Å; N274-V278 WeakPolarHBondContact O-CG2 3.46Å; N274-V278 PolarHBondContact O-N 3.4Å; V278-N281 PolarHBondContact O-N 2.99Å; V278-E282 WeakPolarHBondContact O-CG 3.4Å; V278-E282 PolarHBondContact O-N 2.99Å |
| 279 | T | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 178.7 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | L246 P247 L259 I263 L275 V276 N281 E282 I283 | L246-T279 HydrophobicContact CD2-CG2 4.15Å; P247-T279 HydrophobicContact CB-CG2 4.18Å; L259-T279 HydrophobicContact CB-CG2 4.19Å; L259-T279 HydrophobicContact CD1-CG2 3.99Å; I263-T279 HydrophobicContact CD1-CG2 4.15Å; I263-T279 HydrophobicContact CG2-CG2 4.09Å; L275-T279 VanDerWaalsContact O-CB 3.31Å; L275-T279 WeakPolarHBondContact O-CB 3.39Å; L275-T279 PolarHBondContact O-N 2.89Å; L275-T279 PolarHBondContact O-OG1 3.23Å; V276-T279 PolarHBondContact O-N 2.94Å; T279-N281 VanDerWaalsContact C-N 3.34Å; T279-N281 PolarHBondContact O-N 2.87Å; T279-E282 PolarHBondContact O-N 3.39Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 WeakPolarHBondContact O-CG1 3.46Å; T279-I283 PolarHBondContact O-N 3.46Å |
| 280 | K | 97.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 12% | 0.122 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.5 | -177.7 | 177.5 | 171.2 | -177.5 | 0 | 111.8 | I263 V276 N277 I283 I284 F335 D338 | I263-K280 HydrophobicContact CD1-CB 3.94Å; V276-K280 WeakPolarHBondContact O-CB 3.48Å; V276-K280 PolarHBondContact O-N 3.13Å; N277-K280 PolarHBondContact O-N 3.43Å; K280-I283 PolarHBondContact O-N 3.39Å; K280-I284 HydrophobicContact CG-CD1 3.93Å; K280-I284 WeakPolarHBondContact O-CG1 3.33Å; K280-I284 PolarHBondContact O-N 3.06Å; K280-F335 HydrophobicContact CG-CE1 4.36Å; K280-D338 WeakPolarHBondContact CE-OD2 3.37Å; K280-D338 IonicContact NZ-OD2 3.81Å; K280-D338 PolarHBondContact NZ-OD2 3.23Å |
| 281 | N | 97.6 | Very high | 95.7 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 179.5 | -71 | -23.1 | 0 | 0 | 0 | 112.6 | N277 V278 T279 I284 S285 | N277-N281 VanDerWaalsContact O-CB 3.31Å; N277-N281 WeakPolarHBondContact O-CB 3.21Å; N277-N281 PolarHBondContact O-N 2.64Å; N277-N281 PolarHBondContact O-ND2 3.21Å; N277-N281 VanDerWaalsContact O-ND2 3.17Å; V278-N281 PolarHBondContact O-N 2.99Å; T279-N281 VanDerWaalsContact C-N 3.34Å; T279-N281 PolarHBondContact O-N 2.87Å; N281-I284 PolarHBondContact O-N 3.31Å; N281-S285 VanDerWaalsContact O-CB 3.25Å; N281-S285 WeakPolarHBondContact O-CB 3.21Å; N281-S285 PolarHBondContact O-N 2.95Å; N281-S285 PolarHBondContact O-OG 3.02Å |
| 282 | E | 97.1 | Very high | 96 | Very high | 61 Ų | 61 | 48.1 Ų | 48.1 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 172.9 | -75.2 | -71.5 | 136.3 | 0 | 0 | 111.7 | P247 I255 V278 T279 S285 K286 | P247-E282 HydrophobicContact CB-CB 4.39Å; P247-E282 HydrophobicContact CB-CG 4.26Å; P247-E282 HydrophobicContact CG-CG 4.19Å; I255-E282 HydrophobicContact CD1-CB 3.95Å; I255-E282 HydrophobicContact CG1-CB 4.36Å; V278-E282 WeakPolarHBondContact O-CG 3.4Å; V278-E282 PolarHBondContact O-N 2.99Å; T279-E282 PolarHBondContact O-N 3.39Å; E282-S285 WeakPolarHBondContact CA-OG 3.49Å; E282-S285 PolarHBondContact O-OG 3.47Å; E282-K286 VanDerWaalsContact O-CB 3.32Å; E282-K286 WeakPolarHBondContact O-CB 3.3Å; E282-K286 PolarHBondContact O-N 3.14Å; E282-K286 WeakPolarHBondContact OE2-CD 3.45Å; E282-K286 WeakPolarHBondContact OE2-CE 3.37Å; E282-K286 IonicContact OE2-NZ 3.85Å; E282-K286 PolarHBondContact OE2-NZ 3.11Å |
| 283 | I | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -48.9 | 174.5 | -66.1 | 169.4 | 0 | 0 | 0 | 110.6 | I255 A257 L259 L260 T279 K280 L287 Q288 F335 | I255-I283 HydrophobicContact CD1-CG1 3.84Å; I255-I283 HydrophobicContact CG1-CG1 4Å; A257-I283 HydrophobicContact CB-CG2 4.36Å; L259-I283 HydrophobicContact CB-CD1 4.06Å; L260-I283 HydrophobicContact CD1-CG2 4.29Å; L260-I283 HydrophobicContact CD2-CD1 3.99Å; L260-I283 HydrophobicContact CG-CD1 3.89Å; L260-I283 HydrophobicContact CG-CG2 4.41Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 WeakPolarHBondContact O-CG1 3.46Å; T279-I283 PolarHBondContact O-N 3.46Å; K280-I283 PolarHBondContact O-N 3.39Å; I283-L287 HydrophobicContact CG2-CD1 4.4Å; I283-L287 WeakPolarHBondContact O-CA 3.38Å; I283-L287 VanDerWaalsContact O-CB 3.29Å; I283-L287 WeakPolarHBondContact O-CB 3.22Å; I283-L287 PolarHBondContact O-N 2.92Å; I283-Q288 PolarHBondContact O-N 3.15Å; I283-F335 HydrophobicContact CG2-CZ 4.44Å |
| 284 | I | 97.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 179.9 | -68.8 | 168.4 | 0 | 0 | 0 | 110.4 | K280 N281 K286 Q288 F335 | K280-I284 HydrophobicContact CG-CD1 3.93Å; K280-I284 WeakPolarHBondContact O-CG1 3.33Å; K280-I284 PolarHBondContact O-N 3.06Å; N281-I284 PolarHBondContact O-N 3.31Å; I284-K286 PolarHBondContact O-N 2.89Å; I284-Q288 WeakPolarHBondContact O-CB 3.3Å; I284-Q288 PolarHBondContact O-N 3.49Å; I284-F335 HydrophobicContact CD1-CE1 4.14Å; I284-F335 HydrophobicContact CD1-CZ 4.28Å; I284-F335 HydrophobicContact CG1-CE1 3.98Å; I284-F335 HydrophobicContact CG1-CE2 4.44Å; I284-F335 HydrophobicContact CG1-CZ 3.64Å |
| 285 | S | 96.5 | Very high | 96.6 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 59% | 0.587 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -69.4 | -33.4 | -175.1 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | N281 E282 | N281-S285 VanDerWaalsContact O-CB 3.25Å; N281-S285 WeakPolarHBondContact O-CB 3.21Å; N281-S285 PolarHBondContact O-N 2.95Å; N281-S285 PolarHBondContact O-OG 3.02Å; E282-S285 WeakPolarHBondContact CA-OG 3.49Å; E282-S285 PolarHBondContact O-OG 3.47Å |
| 286 | K | 95.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 37.4 Ų | 37.4 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -103.4 | -30.1 | -174.3 | -67.4 | -179.9 | 172 | 174.1 | 0 | 114.7 | E254 I255 E282 I284 | E254-K286 IonicContact OE1-NZ 2.91Å; E254-K286 PolarHBondContact OE1-NZ 3.36Å; I255-K286 HydrophobicContact CG2-CB 4.34Å; I255-K286 HydrophobicContact CG2-CD 4.09Å; E282-K286 VanDerWaalsContact O-CB 3.32Å; E282-K286 WeakPolarHBondContact O-CB 3.3Å; E282-K286 PolarHBondContact O-N 3.14Å; E282-K286 WeakPolarHBondContact OE2-CD 3.45Å; E282-K286 WeakPolarHBondContact OE2-CE 3.37Å; E282-K286 IonicContact OE2-NZ 3.85Å; E282-K286 PolarHBondContact OE2-NZ 3.11Å; I284-K286 PolarHBondContact O-N 2.89Å |
| 287 | L | 96.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -113.4 | -19.2 | -170 | -56.8 | -179 | 0 | 0 | 0 | 113.7 | I255 A257 I283 C293 C294 L297 | I255-L287 HydrophobicContact CG1-CD1 4.11Å; I255-L287 HydrophobicContact CG2-CD1 4.07Å; I255-L287 HydrophobicContact CG2-CD2 3.98Å; I255-L287 HydrophobicContact CG2-CG 4.03Å; A257-L287 HydrophobicContact CB-CD1 3.95Å; I283-L287 HydrophobicContact CG2-CD1 4.4Å; I283-L287 WeakPolarHBondContact O-CA 3.38Å; I283-L287 VanDerWaalsContact O-CB 3.29Å; I283-L287 WeakPolarHBondContact O-CB 3.22Å; I283-L287 PolarHBondContact O-N 2.92Å; L287-C293 HydrophobicContact CB-CB 4.32Å; L287-C293 CarbonylContact O-C 3.55Å; L287-C293 WeakPolarHBondContact O-CA 3.38Å; L287-C294 HydrophobicContact CD2-CB 4.49Å; L287-C294 PolarHBondContact O-N 3.19Å; L287-L297 HydrophobicContact CD2-CD2 3.86Å; L287-L297 HydrophobicContact CD2-CG 4.01Å |
| 288 | Q | 95.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -70.6 | 133.1 | 179.2 | -171.6 | 172 | -67.6 | 0 | 0 | 111.6 | I283 I284 Y351 | I283-Q288 PolarHBondContact O-N 3.15Å; I284-Q288 WeakPolarHBondContact O-CB 3.3Å; I284-Q288 PolarHBondContact O-N 3.49Å; Q288-Y351 PolarHBondContact OE1-OH 3.3Å |
| 289 | G | 94.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 32 Ų | 32 | 13% | 0.134 | 16% | 0.161 | C | C | . | . | trans | -123.9 | -162.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G292 | G289-G292 PolarHBondContact N-O 3.48Š| ||
| 290 | R | 95.3 | Very high | 95.8 | Very high | 105 Ų | 105 | 32 Ų | 32 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -82.4 | -9.2 | -175.7 | -63.2 | -166.8 | -65.6 | 133.4 | -0.8 | 114.2 | E327 W332 H388 T389 V390 D391 | R290-E327 PolarHBondContact N-OE2 2.9Å; R290-W332 VanDerWaalsContact O-CH2 3.22Å; R290-W332 WeakPolarHBondContact O-CH2 3.31Å; R290-H388 PolarHBondContact NE-O 3.05Å; R290-T389 PolarHBondContact NH2-O 2.81Å; R290-V390 PolarHBondContact NH2-O 3.01Å; R290-D391 IonicContact CZ-OD1 3.47Å; R290-D391 IonicContact NH1-OD1 3.55Å; R290-D391 PolarHBondContact NH1-OD1 3.2Å; R290-D391 IonicContact NH2-OD1 3.38Å; R290-D391 PolarHBondContact NH2-OD1 2.69Å |
| 291 | Y | 97.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 12% | 0.118 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -131.4 | 4.2 | -175 | -59.4 | -94.8 | 0 | 0 | 0 | 113.3 | E327 I358 Y373 D391 R392 | Y291-E327 WeakPolarHBondContact CA-OE2 3.25Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.29Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.45Å; Y291-E327 PolarHBondContact N-OE2 2.9Å; Y291-I358 HydrophobicContact CD1-CB 4.43Å; Y291-I358 HydrophobicContact CD1-CG2 3.7Å; Y291-I358 HydrophobicContact CE1-CG2 4.25Å; Y291-I358 VanDerWaalsContact O-CD1 3.29Å; Y291-I358 WeakPolarHBondContact O-CD1 3.37Å; Y291-Y373 AromaticContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD1 3.49Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD2 4.15Å; Y291-Y373 AromaticContact CD1-CE1 3.76Å; Y291-Y373 HydrophobicContact CD1-CE1 3.76Å; Y291-Y373 HydrophobicContact CD1-CE2 4.38Å; Y291-Y373 AromaticContact CD1-CG 3.72Å; Y291-Y373 HydrophobicContact CD1-CG 3.72Å; Y291-Y373 AromaticContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CE1 4.11Å; Y291-Y373 HydrophobicContact CG-CD1 4.06Å; Y291-Y373 HydrophobicContact CG-CD2 4.28Å; Y291-Y373 AromaticContact CG-CG 3.85Å; Y291-Y373 HydrophobicContact CG-CG 3.85Å; Y291-D391 WeakPolarHBondContact OH-CA 3.15Å; Y291-R392 HydrophobicContact CD2-CB 3.95Å; Y291-R392 HydrophobicContact CD2-CG 4.08Å; Y291-R392 HydrophobicContact CE2-CB 3.72Å; Y291-R392 HydrophobicContact CE2-CG 3.92Å; Y291-R392 PolarHBondContact OH-N 3.24Å |
| 292 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 150.7 | -151.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G289 W328 W332 | G289-G292 PolarHBondContact N-O 3.48Å; G292-W328 WeakPolarHBondContact CA-O 3.21Å; G292-W332 VanDerWaalsContact N-CZ2 3.31Å |
| 293 | C | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146.6 | 168.1 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | A257 L287 W328 F331 | A257-C293 HydrophobicContact CB-CB 4.21Å; L287-C293 HydrophobicContact CB-CB 4.32Å; L287-C293 CarbonylContact O-C 3.55Å; L287-C293 WeakPolarHBondContact O-CA 3.38Å; C293-W328 PolarHBondContact N-O 2.87Å; C293-W328 WeakPolarHBondContact O-CB 3.41Å; C293-W328 PolarHBondContact O-N 2.96Å; C293-F331 HydrophobicContact CB-CB 3.84Å; C293-F331 HydrophobicContact CB-CD2 3.61Å; C293-F331 HydrophobicContact CB-CE2 4.43Å; C293-F331 HydrophobicContact CB-CG 3.95Å; C293-F331 WeakPolarHBondContact O-CD2 3.45Å |
| 294 | C | 96.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 153 | 163.7 | -58 | 0 | 0 | 0 | 0 | 109.7 | A257 L287 E325 C326 | A257-C294 WeakPolarHBondContact CB-O 3.24Å; L287-C294 HydrophobicContact CD2-CB 4.49Å; L287-C294 PolarHBondContact O-N 3.19Å; C294-E325 HydrophobicContact CB-CB 4.04Å; C294-C326 WeakPolarHBondContact CA-O 3.46Å |
| 295 | R | 95.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -66.1 | -51.3 | 179 | -62.5 | -173 | -62.1 | 169.6 | 16.4 | 111.1 | W184 D256 A257 D299 W328 F331 | W184-R295 HydrophobicContact CD2-CG 4.42Å; W184-R295 HydrophobicContact CH2-CG 4.07Å; W184-R295 HydrophobicContact CZ2-CB 4.1Å; W184-R295 HydrophobicContact CZ2-CG 3.96Å; W184-R295 HydrophobicContact CZ3-CG 4.36Å; D256-R295 CarbonylContact C-O 3.42Å; D256-R295 WeakPolarHBondContact CA-O 3.36Å; A257-R295 PolarHBondContact N-O 3.47Å; R295-D299 IonicContact CZ-OD1 2.86Å; R295-D299 IonicContact CZ-OD2 3.76Å; R295-D299 IonicContact NE-OD2 3.63Å; R295-D299 PolarHBondContact NE-OD2 3Å; R295-D299 IonicContact NH2-OD1 3Å; R295-D299 PolarHBondContact NH2-OD1 3.19Å; R295-D299 IonicContact NH2-OD2 3.58Å; R295-D299 PolarHBondContact NH2-OD2 3.5Å; R295-W328 HydrophobicContact CG-CD2 4.34Å; R295-W328 HydrophobicContact CG-CG 4.33Å; R295-W328 HydrophobicContact CG-CZ2 4.43Å; R295-F331 HydrophobicContact CG-CE2 4.49Å |
| 296 | F | 95.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -157 | 166.7 | 172.2 | 50.9 | -92.8 | 0 | 0 | 0 | 109.1 | W184 K189 K253 I255 D256 D299 | W184-F296 AromaticContact CD1-CD1 3.85Å; W184-F296 AromaticContact CD1-CE1 3.69Å; W184-F296 HydrophobicContact CG-CE1 4.24Å; K189-F296 HydrophobicContact CG-CD2 4.36Å; K189-F296 HydrophobicContact CG-CE2 4.03Å; K253-F296 HydrophobicContact CD-CB 4.44Å; K253-F296 HydrophobicContact CD-CD1 3.99Å; K253-F296 HydrophobicContact CD-CD2 4.4Å; K253-F296 HydrophobicContact CD-CE1 4.37Å; K253-F296 HydrophobicContact CD-CG 4.03Å; I255-F296 WeakPolarHBondContact O-CB 3.46Å; D256-F296 HydrophobicContact CB-CB 4.45Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.39Å; F296-D299 HydrophobicContact CD2-CB 3.84Å; F296-D299 HydrophobicContact CE1-CB 4.34Å; F296-D299 HydrophobicContact CE2-CB 3.6Å; F296-D299 HydrophobicContact CG-CB 4.3Å; F296-D299 HydrophobicContact CZ-CB 3.87Å; F296-D299 WeakPolarHBondContact O-CB 3.4Å; F296-D299 PolarHBondContact O-N 2.65Å |
| 297 | L | 93.7 | Very high | 94 | Very high | 44 Ų | 44 | 31.5 Ų | 31.5 | 23% | 0.23 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 140 | -179.1 | -63.5 | 176.1 | 0 | 0 | 0 | 111.6 | K189 E254 I255 L287 D299 | K189-L297 WeakPolarHBondContact CE-O 3.34Å; K189-L297 PolarHBondContact NZ-O 2.99Å; E254-L297 HydrophobicContact CG-CD1 4.01Å; E254-L297 WeakPolarHBondContact OE1-CD1 3.36Å; I255-L297 HydrophobicContact CG2-CD1 4.37Å; I255-L297 HydrophobicContact CG2-CG 4.3Å; L287-L297 HydrophobicContact CD2-CD2 3.86Å; L287-L297 HydrophobicContact CD2-CG 4.01Å; L297-D299 VanDerWaalsContact C-N 3.26Å; L297-D299 PolarHBondContact O-N 2.58Å |
| 298 | R | 92.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 33.5 | -177.3 | -59.1 | -177 | -178.1 | 170.7 | 6.4 | 114 | L318 E322 E325 T1110 R1111 M1113 | R298-L318 HydrophobicContact CB-CB 4.47Å; R298-L318 VanDerWaalsContact CB-O 3.29Å; R298-L318 WeakPolarHBondContact CB-O 3.48Å; R298-L318 WeakPolarHBondContact CD-O 3.35Å; R298-L318 WeakPolarHBondContact CG-O 3.43Å; R298-L318 WeakPolarHBondContact O-CD2 3.42Å; R298-E322 HydrophobicContact CG-CB 4.05Å; R298-E322 HydrophobicContact CG-CG 4.28Å; R298-E322 IonicContact CZ-OE1 3.14Å; R298-E322 IonicContact NE-OE1 2.75Å; R298-E322 PolarHBondContact NE-OE1 3.03Å; R298-E322 VanDerWaalsContact NE-OE1 3.07Å; R298-E322 IonicContact NH2-OE1 3.38Å; R298-E322 PolarHBondContact NH2-OE1 3.38Å; R298-E325 WeakPolarHBondContact CA-OE1 3.29Å; R298-E325 PolarHBondContact N-OE1 3.33Å; R298-T1110 PolarHBondContact NH1-O 2.75Å; R298-T1110 PolarHBondContact NH2-O 2.74Å; R298-R1111 PolarHBondContact NH1-O 2.94Å; R298-M1113 PolarHBondContact NH1-O 3.05Å |
| 299 | D | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -78.7 | 119.1 | 172.2 | 179.8 | 23.7 | 0 | 0 | 0 | 111.3 | R186 R295 F296 L297 Y301 T303 E325 | R186-D299 IonicContact NH1-OD1 3.66Å; R186-D299 PolarHBondContact NH1-OD1 3.39Å; R186-D299 VanDerWaalsContact NH1-OD1 3.08Å; R295-D299 IonicContact CZ-OD1 2.86Å; R295-D299 IonicContact CZ-OD2 3.76Å; R295-D299 IonicContact NE-OD2 3.63Å; R295-D299 PolarHBondContact NE-OD2 3Å; R295-D299 IonicContact NH2-OD1 3Å; R295-D299 PolarHBondContact NH2-OD1 3.19Å; R295-D299 IonicContact NH2-OD2 3.58Å; R295-D299 PolarHBondContact NH2-OD2 3.5Å; F296-D299 HydrophobicContact CD2-CB 3.84Å; F296-D299 HydrophobicContact CE1-CB 4.34Å; F296-D299 HydrophobicContact CE2-CB 3.6Å; F296-D299 HydrophobicContact CG-CB 4.3Å; F296-D299 HydrophobicContact CZ-CB 3.87Å; F296-D299 WeakPolarHBondContact O-CB 3.4Å; F296-D299 PolarHBondContact O-N 2.65Å; L297-D299 VanDerWaalsContact C-N 3.26Å; L297-D299 PolarHBondContact O-N 2.58Å; D299-Y301 PolarHBondContact OD1-N 3.35Å; D299-T303 WeakPolarHBondContact O-CG2 3.38Å; D299-E325 HydrophobicContact CB-CG 4.43Å | ||
| 300 | G | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -81.8 | -11 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K302 T303 E306 Y313 | G300-K302 PolarHBondContact O-N 3.37Å; G300-T303 WeakPolarHBondContact O-CB 3.34Å; G300-T303 WeakPolarHBondContact O-CG2 2.97Å; G300-T303 PolarHBondContact O-N 3.17Å; G300-T303 PolarHBondContact O-OG1 3.4Å; G300-E306 VanDerWaalsContact O-CB 3.29Å; G300-E306 WeakPolarHBondContact O-CB 3.3Å; G300-E306 VanDerWaalsContact O-CD 3.25Å; G300-Y313 VanDerWaalsContact CA-OH 3.3Å; G300-Y313 WeakPolarHBondContact CA-OH 3.37Å | ||
| 301 | Y | 92.8 | Very high | 91.2 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 121.4 | -168.8 | 179.2 | -105.9 | 0 | 0 | 0 | 113.6 | D299 T303 E306 Y313 C326 W328 E371 L372 | D299-Y301 PolarHBondContact OD1-N 3.35Å; Y301-T303 PolarHBondContact O-N 3.08Å; Y301-T303 VanDerWaalsContact O-N 3.14Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.25Å; Y301-Y313 PolarHBondContact N-OH 2.83Å; Y301-Y313 VanDerWaalsContact N-OH 3.1Å; Y301-C326 PolarHBondContact O-SG 3.06Å; Y301-C326 VanDerWaalsContact O-SG 3.38Å; Y301-W328 AromaticContact CD1-CZ2 3.79Å; Y301-W328 HydrophobicContact CD1-CZ2 3.79Å; Y301-W328 HydrophobicContact CE1-CH2 4.09Å; Y301-W328 AromaticContact CE1-CZ2 3.59Å; Y301-W328 HydrophobicContact CE1-CZ2 3.59Å; Y301-E371 WeakPolarHBondContact CE1-OE1 3.25Å; Y301-E371 PolarHBondContact OH-OE1 2.98Å; Y301-L372 HydrophobicContact CD1-CD2 3.9Å; Y301-L372 HydrophobicContact CE1-CD2 3.79Å |
| 302 | K | 92.6 | Very high | 90.5 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 18.1 | -176.2 | -65.7 | 179.7 | 173.8 | 166.1 | 0 | 114.1 | G300 E306 C326 E371 L372 | G300-K302 PolarHBondContact O-N 3.37Å; K302-E306 WeakPolarHBondContact CA-OE2 3.35Å; K302-E306 PolarHBondContact N-OE2 3.07Å; K302-C326 PolarHBondContact O-SG 3.46Å; K302-E371 VanDerWaalsContact NZ-CD 3.28Å; K302-E371 IonicContact NZ-OE1 2.62Å; K302-E371 PolarHBondContact NZ-OE1 2.93Å; K302-E371 IonicContact NZ-OE2 3.07Å; K302-E371 PolarHBondContact NZ-OE2 3.36Å; K302-L372 HydrophobicContact CB-CD1 4.46Å; K302-L372 HydrophobicContact CB-CD2 4.24Å; K302-L372 HydrophobicContact CD-CD2 3.97Å |
| 303 | T | 93.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -70.8 | 152.6 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 109.8 | D299 G300 Y301 R305 E306 F321 | D299-T303 WeakPolarHBondContact O-CG2 3.38Å; G300-T303 WeakPolarHBondContact O-CB 3.34Å; G300-T303 WeakPolarHBondContact O-CG2 2.97Å; G300-T303 PolarHBondContact O-N 3.17Å; G300-T303 PolarHBondContact O-OG1 3.4Å; Y301-T303 PolarHBondContact O-N 3.08Å; Y301-T303 VanDerWaalsContact O-N 3.14Å; T303-R305 PolarHBondContact O-N 3.04Å; T303-E306 WeakPolarHBondContact O-CB 3.34Å; T303-E306 PolarHBondContact O-N 3.2Å; T303-E306 VanDerWaalsContact O-N 3.08Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 304 | P | 92.1 | Very high | 89 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 26% | 0.26 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.1 | -179.8 | -26.8 | 36.4 | 0 | 0 | 0 | 115.7 | V375 P377 V380 | P304-V375 HydrophobicContact CG-CB 4.34Å; P304-V375 WeakPolarHBondContact CG-O 3.22Å; P304-P377 HydrophobicContact CB-CB 4.25Å; P304-P377 HydrophobicContact CB-CG 4.27Å; P304-V380 HydrophobicContact CB-CG2 3.61Å; P304-V380 HydrophobicContact CG-CG2 3.82Å |
| 305 | R | 91.3 | Very high | 87.8 | Confident | 111 Ų | 111 | 51.9 Ų | 51.9 | 42% | 0.419 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -5.6 | 179.9 | -65 | -67.9 | -171 | 166.7 | -3.9 | 112.6 | T303 F321 I324 V380 D381 | T303-R305 PolarHBondContact O-N 3.04Å; R305-F321 HydrophobicContact CB-CD1 4.26Å; R305-F321 HydrophobicContact CB-CE1 4.13Å; R305-I324 HydrophobicContact CB-CD1 4.09Å; R305-I324 HydrophobicContact CG-CD1 3.64Å; R305-V380 HydrophobicContact CG-CG1 4.26Å; R305-D381 IonicContact NH2-OD1 3.04Å; R305-D381 PolarHBondContact NH2-OD1 3.43Å |
| 306 | E | 90.9 | Very high | 86.7 | Confident | 33 Ų | 33 | 54 Ų | 54 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -73.1 | 138.6 | 175.5 | -172.9 | 178.5 | -130.5 | 0 | 0 | 110.6 | R186 G300 Y301 K302 T303 P308 Y313 F321 | R186-E306 IonicContact NH2-OE1 2.8Å; R186-E306 PolarHBondContact NH2-OE1 2.54Å; G300-E306 VanDerWaalsContact O-CB 3.29Å; G300-E306 WeakPolarHBondContact O-CB 3.3Å; G300-E306 VanDerWaalsContact O-CD 3.25Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.25Å; K302-E306 WeakPolarHBondContact CA-OE2 3.35Å; K302-E306 PolarHBondContact N-OE2 3.07Å; T303-E306 WeakPolarHBondContact O-CB 3.34Å; T303-E306 PolarHBondContact O-N 3.2Å; T303-E306 VanDerWaalsContact O-N 3.08Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.42Å; E306-Y313 HydrophobicContact CG-CE1 3.98Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.28Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.36Å; E306-Y313 PolarHBondContact OE1-OH 2.92Å; E306-F321 HydrophobicContact CB-CE1 4.43Å |
| 307 | D | 86.5 | Confident | 86.2 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | trans | -81.9 | 109.3 | 165.7 | -176.1 | -5.7 | 0 | 0 | 0 | 109.6 | N309 R310 | D307-N309 PolarHBondContact O-N 3.26Å; D307-N309 WeakPolarHBondContact OD1-CB 2.95Å; D307-N309 PolarHBondContact OD1-N 2.85Å; D307-N309 PolarHBondContact OD1-ND2 3.03Å; D307-N309 VanDerWaalsContact OD1-ND2 3.13Å; D307-R310 HydrophobicContact CB-CB 4.45Å; D307-R310 PolarHBondContact O-N 2.99Å | ||
| 308 | P | 83.9 | Confident | 85.8 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -11.9 | -177.1 | 31.5 | -36.9 | 0 | 0 | 0 | 113.4 | E306 R310 | E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.42Å; P308-R310 VanDerWaalsContact C-N 3.34Å |
| 309 | N | 85.3 | Confident | 85.6 | Confident | 150 Ų | 150 | 56.1 Ų | 56.1 | 80% | 0.802 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.4 | -179.5 | -54.4 | -67.3 | 0 | 0 | 0 | 112.8 | D307 | D307-N309 PolarHBondContact O-N 3.26Å; D307-N309 WeakPolarHBondContact OD1-CB 2.95Å; D307-N309 PolarHBondContact OD1-N 2.85Å; D307-N309 PolarHBondContact OD1-ND2 3.03Å; D307-N309 VanDerWaalsContact OD1-ND2 3.13Å |
| 310 | R | 81.9 | Confident | 85.5 | Confident | 80 Ų | 80 | 60 Ų | 60 | 30% | 0.302 | 31% | 0.31 | S | S | . | . | trans | -119.6 | 132.4 | -175.7 | -170.4 | 170.5 | 59.3 | 160.2 | -8.5 | 111.3 | D307 P308 H312 D314 E317 | D307-R310 HydrophobicContact CB-CB 4.45Å; D307-R310 PolarHBondContact O-N 2.99Å; P308-R310 VanDerWaalsContact C-N 3.34Å; R310-H312 WeakPolarHBondContact CD-O 3.32Å; R310-H312 VanDerWaalsContact CG-O 3.23Å; R310-H312 WeakPolarHBondContact CG-O 3.43Å; R310-H312 PolarHBondContact NE-O 3.36Å; R310-D314 IonicContact CZ-OD1 3.1Å; R310-D314 IonicContact CZ-OD2 3.96Å; R310-D314 IonicContact NH1-OD1 3.72Å; R310-D314 PolarHBondContact NH1-OD1 2.91Å; R310-D314 IonicContact NH1-OD2 2.73Å; R310-D314 PolarHBondContact NH1-OD2 3.18Å; R310-D314 IonicContact NH2-OD1 2.98Å; R310-D314 IonicContact NH2-OD2 3.94Å; R310-D314 PolarHBondContact NH2-OD2 2.66Å; R310-E317 IonicContact CZ-OE2 2.63Å; R310-E317 IonicContact NH2-OE1 2.8Å; R310-E317 PolarHBondContact NH2-OE1 3.41Å; R310-E317 IonicContact NH2-OE2 3Å; R310-E317 PolarHBondContact NH2-OE2 3.32Å | ||
| 311 | L | 73.8 | Confident | 85.6 | Confident | 108 Ų | 108 | 60 Ų | 60 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -74 | -35.1 | 178.9 | -173.2 | 63.4 | 0 | 0 | 0 | 112.8 | N191 | N191-L311 PolarHBondContact ND2-O 3.27Š|
| 312 | H | 82.1 | Confident | 85.5 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -114.2 | 144.4 | -172.1 | -55.2 | -50.9 | 0 | 0 | 0 | 112.6 | N191 R310 | N191-H312 WeakPolarHBondContact O-CA 3.25Å; N191-H312 VanDerWaalsContact O-CB 3.22Å; N191-H312 WeakPolarHBondContact O-CB 3.45Å; N191-H312 VanDerWaalsContact O-CG 3.25Å; N191-H312 PolarHBondContact O-ND1 3.01Å; R310-H312 WeakPolarHBondContact CD-O 3.32Å; R310-H312 VanDerWaalsContact CG-O 3.23Å; R310-H312 WeakPolarHBondContact CG-O 3.43Å; R310-H312 PolarHBondContact NE-O 3.36Å |
| 313 | Y | 83 | Confident | 85.6 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | trans | -86 | 146.6 | -176.9 | -58.5 | -36.1 | 0 | 0 | 0 | 113.4 | R186 T190 N191 Q192 G300 Y301 E306 E317 L318 F321 | R186-Y313 PolarHBondContact NH1-OH 3.25Å; R186-Y313 PolarHBondContact NH2-OH 2.86Å; T190-Y313 WeakPolarHBondContact O-CB 3.48Å; N191-Y313 HydrophobicContact CB-CD2 3.92Å; N191-Y313 HydrophobicContact CB-CE2 4.08Å; N191-Y313 HydrophobicContact CB-CG 4.5Å; Q192-Y313 PolarHBondContact NE2-O 3.2Å; G300-Y313 VanDerWaalsContact CA-OH 3.3Å; G300-Y313 WeakPolarHBondContact CA-OH 3.37Å; Y301-Y313 PolarHBondContact N-OH 2.83Å; Y301-Y313 VanDerWaalsContact N-OH 3.1Å; E306-Y313 HydrophobicContact CG-CE1 3.98Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.28Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.36Å; E306-Y313 PolarHBondContact OE1-OH 2.92Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.49Å; Y313-L318 HydrophobicContact CD2-CD2 4.26Å; Y313-F321 HydrophobicContact CD1-CE2 4.25Å; Y313-F321 HydrophobicContact CD1-CZ 4.33Å; Y313-F321 HydrophobicContact CD2-CE2 4.08Å; Y313-F321 HydrophobicContact CE1-CE2 4.31Å; Y313-F321 HydrophobicContact CE1-CZ 4.34Å; Y313-F321 HydrophobicContact CE2-CE2 4.09Å; Y313-F321 HydrophobicContact CG-CE2 4.13Å | ||
| 314 | D | 80.7 | Confident | 85.7 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | trans | -68.9 | 140.6 | 163.2 | -73.6 | -37.9 | 0 | 0 | 0 | 109.6 | R310 A316 E317 | R310-D314 IonicContact CZ-OD1 3.1Å; R310-D314 IonicContact CZ-OD2 3.96Å; R310-D314 IonicContact NH1-OD1 3.72Å; R310-D314 PolarHBondContact NH1-OD1 2.91Å; R310-D314 IonicContact NH1-OD2 2.73Å; R310-D314 PolarHBondContact NH1-OD2 3.18Å; R310-D314 IonicContact NH2-OD1 2.98Å; R310-D314 IonicContact NH2-OD2 3.94Å; R310-D314 PolarHBondContact NH2-OD2 2.66Å; D314-A316 PolarHBondContact O-N 3.37Å; D314-E317 HydrophobicContact CB-CG 3.95Å; D314-E317 PolarHBondContact N-OE2 3.43Å; D314-E317 VanDerWaalsContact O-CB 3.32Å; D314-E317 WeakPolarHBondContact O-CB 3.43Å; D314-E317 PolarHBondContact O-N 2.79Å | ||
| 315 | P | 69.9 | Low | 85.8 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -52.7 | -36.7 | -177.6 | -28 | 34.1 | 0 | 0 | 0 | 113.7 | E317 E1112 | P315-E317 VanDerWaalsContact C-N 3.31Å; P315-E317 PolarHBondContact O-N 2.77Å; P315-E1112 VanDerWaalsContact CB-CD 3.5Å; P315-E1112 HydrophobicContact CB-CG 3.74Å; P315-E1112 WeakPolarHBondContact CB-OE1 3.48Å; P315-E1112 WeakPolarHBondContact O-CG 3.4Å |
| 316 | A | 73.9 | Confident | 86.1 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -72.4 | -18 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D314 L318 | D314-A316 PolarHBondContact O-N 3.37Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.29Å |
| 317 | E | 83.4 | Confident | 86.4 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -70.5 | -28.3 | -178.2 | -74.8 | 176.1 | 159 | 0 | 0 | 112.9 | R310 Y313 D314 P315 K319 L320 F321 | R310-E317 IonicContact CZ-OE2 2.63Å; R310-E317 IonicContact NH2-OE1 2.8Å; R310-E317 PolarHBondContact NH2-OE1 3.41Å; R310-E317 IonicContact NH2-OE2 3Å; R310-E317 PolarHBondContact NH2-OE2 3.32Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.49Å; D314-E317 HydrophobicContact CB-CG 3.95Å; D314-E317 PolarHBondContact N-OE2 3.43Å; D314-E317 VanDerWaalsContact O-CB 3.32Å; D314-E317 WeakPolarHBondContact O-CB 3.43Å; D314-E317 PolarHBondContact O-N 2.79Å; P315-E317 VanDerWaalsContact C-N 3.31Å; P315-E317 PolarHBondContact O-N 2.77Å; E317-K319 PolarHBondContact O-N 2.8Å; E317-K319 VanDerWaalsContact O-N 3.12Å; E317-L320 HydrophobicContact CG-CD1 4.36Å; E317-L320 WeakPolarHBondContact O-CA 3.45Å; E317-L320 WeakPolarHBondContact O-CB 3.44Å; E317-L320 PolarHBondContact O-N 2.81Å; E317-F321 HydrophobicContact CB-CE2 3.95Å; E317-F321 HydrophobicContact CB-CZ 3.77Å; E317-F321 WeakPolarHBondContact O-CD2 3.5Å; E317-F321 PolarHBondContact O-N 3.02Å |
| 318 | L | 87.2 | Confident | 87 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54 | -38.9 | -179 | -73.2 | 169.9 | 0 | 0 | 0 | 112.2 | K189 T190 R298 Y313 A316 L320 F321 E1112 | K189-L318 HydrophobicContact CG-CD2 4.11Å; T190-L318 HydrophobicContact CG2-CD1 3.93Å; R298-L318 HydrophobicContact CB-CB 4.47Å; R298-L318 VanDerWaalsContact CB-O 3.29Å; R298-L318 WeakPolarHBondContact CB-O 3.48Å; R298-L318 WeakPolarHBondContact CD-O 3.35Å; R298-L318 WeakPolarHBondContact CG-O 3.43Å; R298-L318 WeakPolarHBondContact O-CD2 3.42Å; Y313-L318 HydrophobicContact CD2-CD2 4.26Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.29Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 3.29Å; L318-F321 HydrophobicContact CD2-CD2 4.37Å; L318-F321 PolarHBondContact O-N 3.1Å; L318-E1112 WeakPolarHBondContact CD1-O 3.41Å |
| 319 | K | 88.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67 | -28.7 | 177 | -170.6 | 58.8 | 175.9 | -179.5 | 0 | 112.9 | E317 F321 E322 R1111 | E317-K319 PolarHBondContact O-N 2.8Å; E317-K319 VanDerWaalsContact O-N 3.12Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 3.08Å; K319-E322 VanDerWaalsContact CE-OE2 3.23Å; K319-E322 WeakPolarHBondContact CE-OE2 3.21Å; K319-E322 IonicContact NZ-OE1 2.97Å; K319-E322 PolarHBondContact NZ-OE1 3.14Å; K319-E322 IonicContact NZ-OE2 3.52Å; K319-E322 PolarHBondContact NZ-OE2 2.86Å; K319-E322 WeakPolarHBondContact O-CB 3.46Å; K319-E322 PolarHBondContact O-N 2.79Å; K319-R1111 HydrophobicContact CB-CB 3.86Å; K319-R1111 HydrophobicContact CB-CG 4.4Å; K319-R1111 HydrophobicContact CG-CB 4.36Å; K319-R1111 HydrophobicContact CG-CG 4.43Å; K319-R1111 PolarHBondContact N-O 3.31Å |
| 320 | L | 90.6 | Very high | 88.2 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.3 | -27.4 | 176.6 | -54.2 | 177 | 0 | 0 | 0 | 111.2 | E317 L318 E322 I324 Y384 | E317-L320 HydrophobicContact CG-CD1 4.36Å; E317-L320 WeakPolarHBondContact O-CA 3.45Å; E317-L320 WeakPolarHBondContact O-CB 3.44Å; E317-L320 PolarHBondContact O-N 2.81Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 3.29Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-E322 PolarHBondContact O-N 2.98Å; L320-I324 WeakPolarHBondContact O-CD1 3.16Å; L320-Y384 WeakPolarHBondContact O-CE1 3.48Å; L320-Y384 PolarHBondContact O-OH 2.71Å |
| 321 | F | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79.8 | -13.4 | 179.8 | -50.5 | -41.3 | 0 | 0 | 0 | 113.5 | T303 R305 E306 Y313 E317 L318 K319 N323 I324 E325 | T303-F321 WeakPolarHBondContact OG1-CD1 3.39Å; R305-F321 HydrophobicContact CB-CD1 4.26Å; R305-F321 HydrophobicContact CB-CE1 4.13Å; E306-F321 HydrophobicContact CB-CE1 4.43Å; Y313-F321 HydrophobicContact CD1-CE2 4.25Å; Y313-F321 HydrophobicContact CD1-CZ 4.33Å; Y313-F321 HydrophobicContact CD2-CE2 4.08Å; Y313-F321 HydrophobicContact CE1-CE2 4.31Å; Y313-F321 HydrophobicContact CE1-CZ 4.34Å; Y313-F321 HydrophobicContact CE2-CE2 4.09Å; Y313-F321 HydrophobicContact CG-CE2 4.13Å; E317-F321 HydrophobicContact CB-CE2 3.95Å; E317-F321 HydrophobicContact CB-CZ 3.77Å; E317-F321 WeakPolarHBondContact O-CD2 3.5Å; E317-F321 PolarHBondContact O-N 3.02Å; L318-F321 HydrophobicContact CD2-CD2 4.37Å; L318-F321 PolarHBondContact O-N 3.1Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 3.08Å; F321-N323 PolarHBondContact O-N 3.23Å; F321-I324 VanDerWaalsContact O-CG1 3.27Å; F321-I324 WeakPolarHBondContact O-CG1 3.48Å; F321-I324 PolarHBondContact O-N 3.28Å; F321-I324 VanDerWaalsContact O-N 3.15Å; F321-E325 WeakPolarHBondContact O-CG 3.17Å; F321-E325 PolarHBondContact O-N 2.92Å |
| 322 | E | 91.9 | Very high | 90.1 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 23% | 0.234 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.4 | -177.9 | -163.6 | 179.4 | -108.8 | 0 | 0 | 111.7 | R298 K319 L320 I324 Y384 | R298-E322 HydrophobicContact CG-CB 4.05Å; R298-E322 HydrophobicContact CG-CG 4.28Å; R298-E322 IonicContact CZ-OE1 3.14Å; R298-E322 IonicContact NE-OE1 2.75Å; R298-E322 PolarHBondContact NE-OE1 3.03Å; R298-E322 VanDerWaalsContact NE-OE1 3.07Å; R298-E322 IonicContact NH2-OE1 3.38Å; R298-E322 PolarHBondContact NH2-OE1 3.38Å; K319-E322 VanDerWaalsContact CE-OE2 3.23Å; K319-E322 WeakPolarHBondContact CE-OE2 3.21Å; K319-E322 IonicContact NZ-OE1 2.97Å; K319-E322 PolarHBondContact NZ-OE1 3.14Å; K319-E322 IonicContact NZ-OE2 3.52Å; K319-E322 PolarHBondContact NZ-OE2 2.86Å; K319-E322 WeakPolarHBondContact O-CB 3.46Å; K319-E322 PolarHBondContact O-N 2.79Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-E322 PolarHBondContact O-N 2.98Å; E322-I324 PolarHBondContact O-N 3.22Å; E322-Y384 WeakPolarHBondContact O-CE1 3.44Å |
| 323 | N | 93.6 | Very high | 90.9 | Very high | 52 Ų | 52 | 24.2 Ų | 24.2 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | -0.4 | -177.5 | -47.9 | -56.9 | 0 | 0 | 0 | 115.9 | F321 E325 P387 | F321-N323 PolarHBondContact O-N 3.23Å; N323-E325 VanDerWaalsContact C-OE2 3.28Å; N323-E325 WeakPolarHBondContact CA-OE2 3.23Å; N323-E325 PolarHBondContact N-OE1 2.93Å; N323-E325 PolarHBondContact N-OE2 2.76Å; N323-P387 HydrophobicContact CB-CB 4.09Å; N323-P387 HydrophobicContact CB-CG 4.2Å |
| 324 | I | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 6.7 | 176.4 | 65.1 | 161.8 | 0 | 0 | 0 | 112.7 | R305 L320 F321 E322 V375 V380 E383 Y384 | R305-I324 HydrophobicContact CB-CD1 4.09Å; R305-I324 HydrophobicContact CG-CD1 3.64Å; L320-I324 WeakPolarHBondContact O-CD1 3.16Å; F321-I324 VanDerWaalsContact O-CG1 3.27Å; F321-I324 WeakPolarHBondContact O-CG1 3.48Å; F321-I324 PolarHBondContact O-N 3.28Å; F321-I324 VanDerWaalsContact O-N 3.15Å; E322-I324 PolarHBondContact O-N 3.22Å; I324-V375 HydrophobicContact CB-CG2 4.28Å; I324-V380 HydrophobicContact CD1-CG1 4.3Å; I324-V380 HydrophobicContact CG2-CG1 4.37Å; I324-E383 HydrophobicContact CG2-CB 4.29Å; I324-E383 HydrophobicContact CG2-CG 3.97Å; I324-Y384 HydrophobicContact CD1-CE1 4.39Å; I324-Y384 HydrophobicContact CG1-CE1 4.3Å; I324-Y384 HydrophobicContact CG2-CD1 3.99Å; I324-Y384 HydrophobicContact CG2-CE1 3.65Å |
| 325 | E | 95.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 142.1 | -179.2 | -57.6 | 92.2 | 154.2 | 0 | 0 | 110.6 | C294 R298 D299 F321 N323 R392 | C294-E325 HydrophobicContact CB-CB 4.04Å; R298-E325 WeakPolarHBondContact CA-OE1 3.29Å; R298-E325 PolarHBondContact N-OE1 3.33Å; D299-E325 HydrophobicContact CB-CG 4.43Å; F321-E325 WeakPolarHBondContact O-CG 3.17Å; F321-E325 PolarHBondContact O-N 2.92Å; N323-E325 VanDerWaalsContact C-OE2 3.28Å; N323-E325 WeakPolarHBondContact CA-OE2 3.23Å; N323-E325 PolarHBondContact N-OE1 2.93Å; N323-E325 PolarHBondContact N-OE2 2.76Å; E325-R392 PolarHBondContact O-NH1 2.67Å; E325-R392 PolarHBondContact O-NH2 2.77Å |
| 326 | C | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 140.5 | -179.6 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | C294 Y301 K302 L372 Y373 | C294-C326 WeakPolarHBondContact CA-O 3.46Å; Y301-C326 PolarHBondContact O-SG 3.06Å; Y301-C326 VanDerWaalsContact O-SG 3.38Å; K302-C326 PolarHBondContact O-SG 3.46Å; C326-L372 HydrophobicContact CB-CB 4.29Å; C326-L372 HydrophobicContact CB-CD1 3.91Å; C326-L372 HydrophobicContact CB-CD2 3.95Å; C326-L372 HydrophobicContact CB-CG 4.29Å; C326-Y373 WeakPolarHBondContact CA-O 3.33Å |
| 327 | E | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.7 | -178.9 | -65.5 | 176.3 | -156.6 | 0 | 0 | 110.3 | R290 Y291 L372 Y373 R392 | R290-E327 PolarHBondContact N-OE2 2.9Å; Y291-E327 WeakPolarHBondContact CA-OE2 3.25Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.29Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.45Å; Y291-E327 PolarHBondContact N-OE2 2.9Å; E327-L372 CarbonylContact O-C 3.59Å; E327-L372 VanDerWaalsContact O-CA 3.31Å; E327-L372 WeakPolarHBondContact O-CA 3.34Å; E327-Y373 PolarHBondContact N-O 3.45Å; E327-Y373 PolarHBondContact O-N 3.04Å; E327-R392 VanDerWaalsContact CD-NE 3.31Å; E327-R392 IonicContact OE1-CZ 2.94Å; E327-R392 VanDerWaalsContact OE1-CZ 3.31Å; E327-R392 IonicContact OE1-NE 3.94Å; E327-R392 PolarHBondContact OE1-NE 3.03Å; E327-R392 IonicContact OE1-NH2 3.65Å; E327-R392 PolarHBondContact OE1-NH2 3.42Å |
| 328 | W | 98.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 14.8 Ų | 14.8 | 4% | 0.042 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.3 | -172.7 | -72.5 | 63.4 | 0 | 0 | 0 | 111.5 | G292 C293 R295 Y301 V330 F331 E371 L372 | G292-W328 WeakPolarHBondContact CA-O 3.21Å; C293-W328 PolarHBondContact N-O 2.87Å; C293-W328 WeakPolarHBondContact O-CB 3.41Å; C293-W328 PolarHBondContact O-N 2.96Å; R295-W328 HydrophobicContact CG-CD2 4.34Å; R295-W328 HydrophobicContact CG-CG 4.33Å; R295-W328 HydrophobicContact CG-CZ2 4.43Å; Y301-W328 AromaticContact CD1-CZ2 3.79Å; Y301-W328 HydrophobicContact CD1-CZ2 3.79Å; Y301-W328 HydrophobicContact CE1-CH2 4.09Å; Y301-W328 AromaticContact CE1-CZ2 3.59Å; Y301-W328 HydrophobicContact CE1-CZ2 3.59Å; W328-V330 HydrophobicContact CB-CG1 4.22Å; W328-V330 HydrophobicContact CE3-CG1 4.3Å; W328-V330 PolarHBondContact O-N 2.96Å; W328-F331 HydrophobicContact CB-CD2 3.7Å; W328-F331 HydrophobicContact CB-CE2 3.66Å; W328-F331 HydrophobicContact CG-CE2 4.23Å; W328-F331 WeakPolarHBondContact O-CD2 3.24Å; W328-F331 PolarHBondContact O-N 2.84Å; W328-E371 HydrophobicContact CE3-CG 4.33Å; W328-E371 VanDerWaalsContact CE3-O 3.3Å; W328-E371 HydrophobicContact CH2-CG 3.7Å; W328-E371 HydrophobicContact CZ2-CG 4.37Å; W328-E371 HydrophobicContact CZ3-CG 3.68Å; W328-L372 HydrophobicContact CD2-CB 4.15Å; W328-L372 HydrophobicContact CG-CB 4.12Å; W328-L372 HydrophobicContact CZ2-CD2 3.72Å |
| 329 | P | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.1 | -179.1 | -26.4 | 35.2 | 0 | 0 | 0 | 114.8 | F331 W332 L355 I358 V369 P370 Y373 | P329-F331 PolarHBondContact O-N 2.94Å; P329-F331 VanDerWaalsContact O-N 3.17Å; P329-W332 PolarHBondContact O-N 3.33Å; P329-W332 VanDerWaalsContact O-N 3.08Å; P329-L355 HydrophobicContact CB-CD1 4.09Å; P329-I358 HydrophobicContact CB-CD1 3.79Å; P329-I358 HydrophobicContact CG-CD1 3.8Å; P329-V369 HydrophobicContact CB-CG1 4.21Å; P329-P370 HydrophobicContact CG-CG 4.23Å; P329-Y373 HydrophobicContact CG-CD2 3.72Å; P329-Y373 HydrophobicContact CG-CE2 3.57Å |
| 330 | V | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.1 | -32.2 | -179 | 66.9 | 0 | 0 | 0 | 0 | 112 | W328 W332 T333 Y334 W402 L406 | W328-V330 HydrophobicContact CB-CG1 4.22Å; W328-V330 HydrophobicContact CE3-CG1 4.3Å; W328-V330 PolarHBondContact O-N 2.96Å; V330-W332 VanDerWaalsContact C-N 3.3Å; V330-W332 PolarHBondContact O-N 3.23Å; V330-T333 WeakPolarHBondContact O-CA 3.43Å; V330-T333 WeakPolarHBondContact O-CB 3.33Å; V330-T333 PolarHBondContact O-N 3.49Å; V330-T333 PolarHBondContact O-OG1 2.77Å; V330-Y334 HydrophobicContact CG2-CD2 4.37Å; V330-Y334 HydrophobicContact CG2-CE2 4.1Å; V330-Y334 WeakPolarHBondContact O-CD2 3.37Å; V330-Y334 PolarHBondContact O-N 3.12Å; V330-W402 HydrophobicContact CG2-CG 4.45Å; V330-L406 HydrophobicContact CG2-CD1 4Å |
| 331 | F | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.5 | -27 | -179.9 | -61.7 | -61.2 | 0 | 0 | 0 | 113.5 | W184 A257 L260 C293 R295 W328 P329 T333 Y334 F335 | W184-F331 AromaticContact CH2-CZ 3.82Å; W184-F331 HydrophobicContact CH2-CZ 3.82Å; W184-F331 AromaticContact CZ2-CZ 3.88Å; W184-F331 HydrophobicContact CZ2-CZ 3.88Å; A257-F331 HydrophobicContact CB-CD1 3.84Å; A257-F331 HydrophobicContact CB-CD2 3.96Å; A257-F331 HydrophobicContact CB-CE1 3.52Å; A257-F331 HydrophobicContact CB-CE2 3.63Å; A257-F331 HydrophobicContact CB-CG 4.04Å; A257-F331 HydrophobicContact CB-CZ 3.4Å; A257-F331 VanDerWaalsContact CB-CZ 3.4Å; A257-F331 WeakPolarHBondContact O-CE1 3.19Å; L260-F331 HydrophobicContact CD1-CB 4.12Å; L260-F331 HydrophobicContact CD1-CD1 3.86Å; L260-F331 HydrophobicContact CD1-CG 4.36Å; C293-F331 HydrophobicContact CB-CB 3.84Å; C293-F331 HydrophobicContact CB-CD2 3.61Å; C293-F331 HydrophobicContact CB-CE2 4.43Å; C293-F331 HydrophobicContact CB-CG 3.95Å; C293-F331 WeakPolarHBondContact O-CD2 3.45Å; R295-F331 HydrophobicContact CG-CE2 4.49Å; W328-F331 HydrophobicContact CB-CD2 3.7Å; W328-F331 HydrophobicContact CB-CE2 3.66Å; W328-F331 HydrophobicContact CG-CE2 4.23Å; W328-F331 WeakPolarHBondContact O-CD2 3.24Å; W328-F331 PolarHBondContact O-N 2.84Å; P329-F331 PolarHBondContact O-N 2.94Å; P329-F331 VanDerWaalsContact O-N 3.17Å; F331-T333 VanDerWaalsContact C-N 3.31Å; F331-T333 PolarHBondContact O-N 2.96Å; F331-Y334 HydrophobicContact CD1-CD2 4.25Å; F331-Y334 WeakPolarHBondContact O-CB 3.49Å; F331-Y334 PolarHBondContact O-N 3.06Å; F331-F335 WeakPolarHBondContact O-CD2 3.35Å; F331-F335 PolarHBondContact O-N 3.5Å |
| 332 | W | 97.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 5% | 0.045 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.8 | -31.2 | 169.6 | -69.1 | -9.8 | 0 | 0 | 0 | 112.3 | R290 G292 P329 V330 Y334 F335 I336 Y351 A354 L355 I358 | R290-W332 VanDerWaalsContact O-CH2 3.22Å; R290-W332 WeakPolarHBondContact O-CH2 3.31Å; G292-W332 VanDerWaalsContact N-CZ2 3.31Å; P329-W332 PolarHBondContact O-N 3.33Å; P329-W332 VanDerWaalsContact O-N 3.08Å; V330-W332 VanDerWaalsContact C-N 3.3Å; V330-W332 PolarHBondContact O-N 3.23Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.28Å; W332-F335 AromaticContact CD1-CD2 3.98Å; W332-F335 PolarHBondContact O-N 2.96Å; W332-I336 VanDerWaalsContact O-CG1 3.3Å; W332-I336 WeakPolarHBondContact O-CG1 3.4Å; W332-I336 PolarHBondContact O-N 3.15Å; W332-Y351 HydrophobicContact CB-CD1 4.12Å; W332-Y351 AromaticContact CD1-CD1 3.52Å; W332-Y351 AromaticContact CD1-CE1 3.57Å; W332-Y351 HydrophobicContact CD2-CD1 4.28Å; W332-Y351 AromaticContact CG-CD1 3.73Å; W332-Y351 HydrophobicContact CG-CD1 3.73Å; W332-Y351 HydrophobicContact CG-CE1 4.25Å; W332-Y351 AromaticContact NE1-CD1 3.91Å; W332-Y351 AromaticContact NE1-CE1 3.73Å; W332-A354 HydrophobicContact CD2-CB 4.42Å; W332-A354 HydrophobicContact CE3-CB 3.96Å; W332-A354 HydrophobicContact CH2-CB 3.82Å; W332-A354 HydrophobicContact CZ2-CB 4.31Å; W332-A354 VanDerWaalsContact CZ3-C 3.47Å; W332-A354 HydrophobicContact CZ3-CB 3.64Å; W332-A354 WeakPolarHBondContact CZ3-O 3.34Å; W332-L355 HydrophobicContact CE3-CB 4.28Å; W332-L355 HydrophobicContact CE3-CD1 4.29Å; W332-I358 HydrophobicContact CE3-CD1 3.78Å; W332-I358 HydrophobicContact CE3-CG1 4.47Å; W332-I358 HydrophobicContact CH2-CD1 4.37Å; W332-I358 HydrophobicContact CZ3-CD1 3.43Å; W332-I358 VanDerWaalsContact CZ3-CD1 3.43Å; W332-I358 HydrophobicContact CZ3-CG1 3.97Å; W332-I358 HydrophobicContact CZ3-CG2 4.34Å |
| 333 | T | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 171.6 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | V330 F331 I336 I337 L355 L406 | V330-T333 WeakPolarHBondContact O-CA 3.43Å; V330-T333 WeakPolarHBondContact O-CB 3.33Å; V330-T333 PolarHBondContact O-N 3.49Å; V330-T333 PolarHBondContact O-OG1 2.77Å; F331-T333 VanDerWaalsContact C-N 3.31Å; F331-T333 PolarHBondContact O-N 2.96Å; T333-I336 PolarHBondContact O-N 3.47Å; T333-I337 WeakPolarHBondContact O-CG1 3.42Å; T333-I337 PolarHBondContact O-N 2.95Å; T333-L355 HydrophobicContact CG2-CD2 3.82Å; T333-L406 HydrophobicContact CG2-CB 4.5Å; T333-L406 VanDerWaalsContact OG1-CB 3.22Å; T333-L406 WeakPolarHBondContact OG1-CB 3.39Å |
| 334 | Y | 97.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 171 | -81.8 | -82.7 | 0 | 0 | 0 | 111.5 | Y49 L260 F265 V330 F331 W332 I336 I337 D338 W402 L406 | Y49-Y334 VanDerWaalsContact CE1-OH 3.24Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.14Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.27Å; Y49-Y334 PolarHBondContact OH-OH 2.8Å; L260-Y334 HydrophobicContact CB-CD1 4.38Å; L260-Y334 HydrophobicContact CB-CG 4.34Å; F265-Y334 WeakPolarHBondContact O-CD1 3.19Å; F265-Y334 VanDerWaalsContact O-CE1 3.24Å; F265-Y334 WeakPolarHBondContact O-CE1 3.36Å; V330-Y334 HydrophobicContact CG2-CD2 4.37Å; V330-Y334 HydrophobicContact CG2-CE2 4.1Å; V330-Y334 WeakPolarHBondContact O-CD2 3.37Å; V330-Y334 PolarHBondContact O-N 3.12Å; F331-Y334 HydrophobicContact CD1-CD2 4.25Å; F331-Y334 WeakPolarHBondContact O-CB 3.49Å; F331-Y334 PolarHBondContact O-N 3.06Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.28Å; Y334-I336 VanDerWaalsContact C-N 3.33Å; Y334-I336 PolarHBondContact O-N 3.21Å; Y334-I337 PolarHBondContact O-N 2.96Å; Y334-D338 VanDerWaalsContact O-CB 3.22Å; Y334-D338 WeakPolarHBondContact O-CB 3.18Å; Y334-D338 PolarHBondContact O-N 2.74Å; Y334-W402 HydrophobicContact CE2-CZ2 4.21Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.42Å; Y334-W402 PolarHBondContact OH-NE1 3.41Å; Y334-L406 HydrophobicContact CD2-CD1 4.05Å; Y334-L406 HydrophobicContact CE1-CD1 4.32Å; Y334-L406 HydrophobicContact CE2-CD1 3.53Å |
| 335 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -35 | 176.7 | -66.5 | -50.1 | 0 | 0 | 0 | 113.4 | L260 K280 I283 I284 F331 W332 G339 Q347 Y351 | L260-F335 HydrophobicContact CD1-CE1 4.08Å; L260-F335 HydrophobicContact CD1-CZ 3.98Å; L260-F335 HydrophobicContact CD2-CD1 4.34Å; L260-F335 HydrophobicContact CD2-CE1 3.66Å; L260-F335 HydrophobicContact CD2-CZ 4.25Å; K280-F335 HydrophobicContact CG-CE1 4.36Å; I283-F335 HydrophobicContact CG2-CZ 4.44Å; I284-F335 HydrophobicContact CD1-CE1 4.14Å; I284-F335 HydrophobicContact CD1-CZ 4.28Å; I284-F335 HydrophobicContact CG1-CE1 3.98Å; I284-F335 HydrophobicContact CG1-CE2 4.44Å; I284-F335 HydrophobicContact CG1-CZ 3.64Å; F331-F335 WeakPolarHBondContact O-CD2 3.35Å; F331-F335 PolarHBondContact O-N 3.5Å; W332-F335 AromaticContact CD1-CD2 3.98Å; W332-F335 PolarHBondContact O-N 2.96Å; F335-G339 PolarHBondContact O-N 3.26Å; F335-Q347 PolarHBondContact O-NE2 3.24Å; F335-Y351 HydrophobicContact CB-CD1 4.28Å; F335-Y351 HydrophobicContact CB-CD2 3.45Å; F335-Y351 VanDerWaalsContact CB-CD2 3.45Å; F335-Y351 HydrophobicContact CB-CE1 4.35Å; F335-Y351 HydrophobicContact CB-CE2 3.54Å; F335-Y351 HydrophobicContact CB-CG 3.84Å; F335-Y351 HydrophobicContact CD2-CD1 4.05Å; F335-Y351 HydrophobicContact CD2-CD2 4.41Å; F335-Y351 AromaticContact CD2-CE1 3.53Å; F335-Y351 HydrophobicContact CD2-CE1 3.53Å; F335-Y351 AromaticContact CD2-CE2 3.93Å; F335-Y351 HydrophobicContact CD2-CE2 3.93Å; F335-Y351 HydrophobicContact CD2-CG 4.46Å; F335-Y351 AromaticContact CD2-CZ 3.45Å; F335-Y351 VanDerWaalsContact CD2-CZ 3.45Å; F335-Y351 HydrophobicContact CE2-CE1 4.15Å; F335-Y351 HydrophobicContact CG-CD2 4.19Å; F335-Y351 HydrophobicContact CG-CE1 4.23Å; F335-Y351 AromaticContact CG-CE2 3.79Å; F335-Y351 HydrophobicContact CG-CE2 3.79Å; F335-Y351 AromaticContact CG-CZ 3.8Å |
| 336 | I | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -48.4 | 173.7 | -64.6 | 164.7 | 0 | 0 | 0 | 109.9 | W332 T333 Y334 G339 V340 V348 R352 L355 | W332-I336 VanDerWaalsContact O-CG1 3.3Å; W332-I336 WeakPolarHBondContact O-CG1 3.4Å; W332-I336 PolarHBondContact O-N 3.15Å; T333-I336 PolarHBondContact O-N 3.47Å; Y334-I336 VanDerWaalsContact C-N 3.33Å; Y334-I336 PolarHBondContact O-N 3.21Å; I336-G339 PolarHBondContact O-N 3.42Å; I336-V340 WeakPolarHBondContact O-CG2 3.22Å; I336-V340 PolarHBondContact O-N 2.73Å; I336-V348 HydrophobicContact CG2-CG1 4.3Å; I336-R352 HydrophobicContact CD1-CG 3.82Å; I336-R352 HydrophobicContact CG1-CG 4.16Å; I336-R352 HydrophobicContact CG2-CG 4.22Å; I336-L355 HydrophobicContact CD1-CD2 4.06Å |
| 337 | I | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 179.5 | -65.7 | 169 | 0 | 0 | 0 | 110.3 | F265 T333 Y334 G339 V340 F341 L406 L413 | F265-I337 HydrophobicContact CB-CG2 3.61Å; F265-I337 HydrophobicContact CD1-CD1 4.24Å; F265-I337 HydrophobicContact CD1-CG2 3.94Å; F265-I337 HydrophobicContact CG-CG2 3.79Å; T333-I337 WeakPolarHBondContact O-CG1 3.42Å; T333-I337 PolarHBondContact O-N 2.95Å; Y334-I337 PolarHBondContact O-N 2.96Å; I337-G339 VanDerWaalsContact C-N 3.3Å; I337-G339 PolarHBondContact O-N 3.28Å; I337-V340 WeakPolarHBondContact O-CB 3.36Å; I337-V340 PolarHBondContact O-N 3.33Å; I337-F341 HydrophobicContact CG2-CD2 3.65Å; I337-F341 HydrophobicContact CG2-CE2 3.6Å; I337-F341 WeakPolarHBondContact O-CD2 3.3Å; I337-F341 PolarHBondContact O-N 3.47Å; I337-L406 HydrophobicContact CD1-CB 4.41Å; I337-L406 HydrophobicContact CD1-CD2 4.05Å; I337-L413 HydrophobicContact CG1-CD1 4.32Å; I337-L413 HydrophobicContact CG2-CD1 4.34Å |
| 338 | D | 96.7 | Very high | 97 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.4 | -43.4 | 176.2 | 178.9 | 74.5 | 0 | 0 | 0 | 112.5 | S264 K280 Y334 V340 F341 S342 Q347 | S264-D338 WeakPolarHBondContact CB-OD1 3.43Å; S264-D338 WeakPolarHBondContact OG-CB 3.46Å; S264-D338 PolarHBondContact OG-OD1 3.22Å; K280-D338 WeakPolarHBondContact CE-OD2 3.37Å; K280-D338 IonicContact NZ-OD2 3.81Å; K280-D338 PolarHBondContact NZ-OD2 3.23Å; Y334-D338 VanDerWaalsContact O-CB 3.22Å; Y334-D338 WeakPolarHBondContact O-CB 3.18Å; Y334-D338 PolarHBondContact O-N 2.74Å; D338-V340 VanDerWaalsContact C-N 3.34Å; D338-V340 PolarHBondContact O-N 3.29Å; D338-F341 PolarHBondContact O-N 3.47Å; D338-S342 WeakPolarHBondContact O-CB 3.15Å; D338-S342 PolarHBondContact O-N 3.41Å; D338-S342 PolarHBondContact O-OG 3.21Å; D338-Q347 PolarHBondContact OD2-NE2 2.97Å |
| 339 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F335 I336 I337 S342 G343 D344 Q347 | F335-G339 PolarHBondContact O-N 3.26Å; I336-G339 PolarHBondContact O-N 3.42Å; I337-G339 VanDerWaalsContact C-N 3.3Å; I337-G339 PolarHBondContact O-N 3.28Å; G339-S342 PolarHBondContact O-N 3.08Å; G339-G343 CarbonylContact O-C 3.58Å; G339-G343 PolarHBondContact O-N 3.36Å; G339-D344 PolarHBondContact O-N 3.02Å; G339-Q347 VanDerWaalsContact N-NE2 3.18Å |
| 340 | V | 97 | Very high | 97 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 22% | 0.218 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 173.7 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | I336 I337 D338 S342 G343 V348 L413 A414 T420 | I336-V340 WeakPolarHBondContact O-CG2 3.22Å; I336-V340 PolarHBondContact O-N 2.73Å; I337-V340 WeakPolarHBondContact O-CB 3.36Å; I337-V340 PolarHBondContact O-N 3.33Å; D338-V340 VanDerWaalsContact C-N 3.34Å; D338-V340 PolarHBondContact O-N 3.29Å; V340-S342 VanDerWaalsContact C-N 3.32Å; V340-S342 PolarHBondContact O-N 3.18Å; V340-G343 PolarHBondContact O-N 3.26Å; V340-V348 HydrophobicContact CG2-CG2 3.76Å; V340-L413 HydrophobicContact CG1-CB 4.2Å; V340-L413 HydrophobicContact CG2-CB 4.45Å; V340-A414 HydrophobicContact CG2-CB 4.28Å; V340-T420 HydrophobicContact CG1-CG2 3.92Å |
| 341 | F | 95.5 | Very high | 97 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -35.2 | 177.7 | -86.1 | -87 | 0 | 0 | 0 | 112.7 | F265 F268 I337 D338 T420 I423 D424 R429 | F265-F341 HydrophobicContact CB-CD2 4.31Å; F265-F341 HydrophobicContact CB-CE2 3.96Å; F265-F341 AromaticContact CD2-CE2 3.77Å; F265-F341 HydrophobicContact CD2-CE2 3.77Å; F265-F341 AromaticContact CD2-CZ 3.83Å; F265-F341 HydrophobicContact CD2-CZ 3.83Å; F265-F341 HydrophobicContact CG-CE2 4.07Å; F268-F341 HydrophobicContact CE1-CD1 4.23Å; F268-F341 HydrophobicContact CE1-CG 4.32Å; F268-F341 HydrophobicContact CE2-CD1 4.5Å; F268-F341 HydrophobicContact CE2-CE1 4.1Å; F268-F341 HydrophobicContact CE2-CZ 4.26Å; F268-F341 AromaticContact CZ-CD1 3.63Å; F268-F341 HydrophobicContact CZ-CD1 3.63Å; F268-F341 HydrophobicContact CZ-CD2 4.1Å; F268-F341 AromaticContact CZ-CE1 3.63Å; F268-F341 HydrophobicContact CZ-CE1 3.63Å; F268-F341 HydrophobicContact CZ-CE2 4.12Å; F268-F341 AromaticContact CZ-CG 3.87Å; F268-F341 HydrophobicContact CZ-CG 3.87Å; F268-F341 AromaticContact CZ-CZ 3.9Å; F268-F341 HydrophobicContact CZ-CZ 3.9Å; I337-F341 HydrophobicContact CG2-CD2 3.65Å; I337-F341 HydrophobicContact CG2-CE2 3.6Å; I337-F341 WeakPolarHBondContact O-CD2 3.3Å; I337-F341 PolarHBondContact O-N 3.47Å; D338-F341 PolarHBondContact O-N 3.47Å; F341-T420 HydrophobicContact CD1-CG2 3.8Å; F341-T420 HydrophobicContact CD2-CG2 4.25Å; F341-T420 HydrophobicContact CE1-CG2 3.94Å; F341-T420 HydrophobicContact CE2-CG2 4.36Å; F341-T420 HydrophobicContact CG-CG2 3.97Å; F341-T420 HydrophobicContact CZ-CG2 4.21Å; F341-I423 HydrophobicContact CE2-CD1 3.87Å; F341-I423 HydrophobicContact CZ-CD1 3.82Å; F341-I423 HydrophobicContact CZ-CG1 4.04Å; F341-D424 HydrophobicContact CE1-CB 4.26Å; F341-D424 HydrophobicContact CZ-CB 4.4Å; F341-R429 HydrophobicContact CD1-CB 3.83Å; F341-R429 HydrophobicContact CD1-CG 4.43Å; F341-R429 HydrophobicContact CE1-CB 4.03Å |
| 342 | S | 93.5 | Very high | 97 | Very high | 83 Ų | 83 | 39.2 Ų | 39.2 | 58% | 0.58 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -83.2 | -10.7 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | D338 G339 V340 D344 | D338-S342 WeakPolarHBondContact O-CB 3.15Å; D338-S342 PolarHBondContact O-N 3.41Å; D338-S342 PolarHBondContact O-OG 3.21Å; G339-S342 PolarHBondContact O-N 3.08Å; V340-S342 VanDerWaalsContact C-N 3.32Å; V340-S342 PolarHBondContact O-N 3.18Å; S342-D344 VanDerWaalsContact C-N 3.29Å |
| 343 | G | 94.6 | Very high | 97 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 67% | 0.67 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 18.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G339 V340 A345 | G339-G343 CarbonylContact O-C 3.58Å; G339-G343 PolarHBondContact O-N 3.36Å; V340-G343 PolarHBondContact O-N 3.26Å; G343-A345 PolarHBondContact O-N 2.95Å |
| 344 | D | 96.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 35% | 0.353 | 27% | 0.27 | S | S | . | . | trans | -87.9 | 89.8 | 178.7 | -170.3 | -18.6 | 0 | 0 | 0 | 111 | G339 S342 V346 Q347 V348 | G339-D344 PolarHBondContact O-N 3.02Å; S342-D344 VanDerWaalsContact C-N 3.29Å; D344-V346 PolarHBondContact O-N 3.35Å; D344-V346 WeakPolarHBondContact OD1-CB 3.28Å; D344-V346 PolarHBondContact OD1-N 2.98Å; D344-Q347 HydrophobicContact CB-CB 4.03Å; D344-Q347 PolarHBondContact OD1-N 3.13Å; D344-V348 VanDerWaalsContact O-CG2 3.31Å; D344-V348 WeakPolarHBondContact O-CG2 3.47Å; D344-V348 PolarHBondContact O-N 3.03Å | ||
| 345 | A | 96.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 62% | 0.62 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.8 | -24.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G343 Q349 | G343-A345 PolarHBondContact O-N 2.95Å; A345-Q349 WeakPolarHBondContact O-CB 3.33Å; A345-Q349 PolarHBondContact O-N 2.79Å; A345-Q349 VanDerWaalsContact O-N 3.09Å |
| 346 | V | 97.8 | Very high | 96.7 | Very high | 108 Ų | 108 | 48.7 Ų | 48.7 | 66% | 0.655 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -72.3 | -50.3 | -180 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | D344 V348 Q349 E350 | D344-V346 PolarHBondContact O-N 3.35Å; D344-V346 WeakPolarHBondContact OD1-CB 3.28Å; D344-V346 PolarHBondContact OD1-N 2.98Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 3.04Å; V346-Q349 PolarHBondContact O-N 3.12Å; V346-Q349 VanDerWaalsContact O-N 3.17Å; V346-E350 WeakPolarHBondContact O-CB 3.48Å; V346-E350 PolarHBondContact O-N 3.39Å |
| 347 | Q | 97.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.9 | -45.4 | 174.4 | -177.9 | 176.6 | -61.3 | 0 | 0 | 111.4 | F335 D338 G339 D344 Q349 E350 Y351 | F335-Q347 PolarHBondContact O-NE2 3.24Å; D338-Q347 PolarHBondContact OD2-NE2 2.97Å; G339-Q347 VanDerWaalsContact N-NE2 3.18Å; D344-Q347 HydrophobicContact CB-CB 4.03Å; D344-Q347 PolarHBondContact OD1-N 3.13Å; Q347-Q349 VanDerWaalsContact C-N 3.33Å; Q347-Q349 PolarHBondContact O-N 2.95Å; Q347-E350 PolarHBondContact O-N 2.81Å; Q347-Y351 HydrophobicContact CG-CD2 3.69Å; Q347-Y351 HydrophobicContact CG-CE2 3.74Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.46Å; Q347-Y351 PolarHBondContact O-N 2.87Å; Q347-Y351 VanDerWaalsContact O-N 3.12Å |
| 348 | V | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 53 Ų | 53 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 178.3 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | I336 V340 D344 V346 R352 A414 | I336-V348 HydrophobicContact CG2-CG1 4.3Å; V340-V348 HydrophobicContact CG2-CG2 3.76Å; D344-V348 VanDerWaalsContact O-CG2 3.31Å; D344-V348 WeakPolarHBondContact O-CG2 3.47Å; D344-V348 PolarHBondContact O-N 3.03Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 3.04Å; V348-R352 HydrophobicContact CG1-CG 4.45Å; V348-R352 VanDerWaalsContact O-CB 3.28Å; V348-R352 WeakPolarHBondContact O-CB 3.37Å; V348-R352 WeakPolarHBondContact O-CG 3.34Å; V348-R352 PolarHBondContact O-N 3.03Å; V348-R352 VanDerWaalsContact O-N 3.08Å; V348-A414 HydrophobicContact CG1-CB 4.08Å |
| 349 | Q | 97.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | -177.6 | -172.4 | 59.4 | 27.7 | 0 | 0 | 111.8 | A345 V346 Q347 Y351 R352 E353 | A345-Q349 WeakPolarHBondContact O-CB 3.33Å; A345-Q349 PolarHBondContact O-N 2.79Å; A345-Q349 VanDerWaalsContact O-N 3.09Å; V346-Q349 PolarHBondContact O-N 3.12Å; V346-Q349 VanDerWaalsContact O-N 3.17Å; Q347-Q349 VanDerWaalsContact C-N 3.33Å; Q347-Q349 PolarHBondContact O-N 2.95Å; Q349-Y351 PolarHBondContact O-N 3.31Å; Q349-R352 PolarHBondContact O-N 3.01Å; Q349-E353 PolarHBondContact NE2-OE1 3.01Å; Q349-E353 WeakPolarHBondContact O-CG 3.34Å; Q349-E353 PolarHBondContact O-N 3.47Å |
| 350 | E | 97.4 | Very high | 96.4 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.7 | -54.9 | 178.3 | 179.7 | 179.1 | 177.5 | 0 | 0 | 111.6 | V346 Q347 R352 E353 A354 | V346-E350 WeakPolarHBondContact O-CB 3.48Å; V346-E350 PolarHBondContact O-N 3.39Å; Q347-E350 PolarHBondContact O-N 2.81Å; E350-R352 PolarHBondContact O-N 3.42Å; E350-E353 PolarHBondContact O-N 2.75Å; E350-A354 WeakPolarHBondContact O-CB 3.43Å; E350-A354 PolarHBondContact O-N 3.06Å |
| 351 | Y | 97.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 61.8 Ų | 61.8 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.8 | -25 | -178.1 | -71.6 | -70 | 0 | 0 | 0 | 113.1 | Q288 W332 F335 Q347 Q349 L355 | Q288-Y351 PolarHBondContact OE1-OH 3.3Å; W332-Y351 HydrophobicContact CB-CD1 4.12Å; W332-Y351 AromaticContact CD1-CD1 3.52Å; W332-Y351 AromaticContact CD1-CE1 3.57Å; W332-Y351 HydrophobicContact CD2-CD1 4.28Å; W332-Y351 AromaticContact CG-CD1 3.73Å; W332-Y351 HydrophobicContact CG-CD1 3.73Å; W332-Y351 HydrophobicContact CG-CE1 4.25Å; W332-Y351 AromaticContact NE1-CD1 3.91Å; W332-Y351 AromaticContact NE1-CE1 3.73Å; F335-Y351 HydrophobicContact CB-CD1 4.28Å; F335-Y351 HydrophobicContact CB-CD2 3.45Å; F335-Y351 VanDerWaalsContact CB-CD2 3.45Å; F335-Y351 HydrophobicContact CB-CE1 4.35Å; F335-Y351 HydrophobicContact CB-CE2 3.54Å; F335-Y351 HydrophobicContact CB-CG 3.84Å; F335-Y351 HydrophobicContact CD2-CD1 4.05Å; F335-Y351 HydrophobicContact CD2-CD2 4.41Å; F335-Y351 AromaticContact CD2-CE1 3.53Å; F335-Y351 HydrophobicContact CD2-CE1 3.53Å; F335-Y351 AromaticContact CD2-CE2 3.93Å; F335-Y351 HydrophobicContact CD2-CE2 3.93Å; F335-Y351 HydrophobicContact CD2-CG 4.46Å; F335-Y351 AromaticContact CD2-CZ 3.45Å; F335-Y351 VanDerWaalsContact CD2-CZ 3.45Å; F335-Y351 HydrophobicContact CE2-CE1 4.15Å; F335-Y351 HydrophobicContact CG-CD2 4.19Å; F335-Y351 HydrophobicContact CG-CE1 4.23Å; F335-Y351 AromaticContact CG-CE2 3.79Å; F335-Y351 HydrophobicContact CG-CE2 3.79Å; F335-Y351 AromaticContact CG-CZ 3.8Å; Q347-Y351 HydrophobicContact CG-CD2 3.69Å; Q347-Y351 HydrophobicContact CG-CE2 3.74Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.46Å; Q347-Y351 PolarHBondContact O-N 2.87Å; Q347-Y351 VanDerWaalsContact O-N 3.12Å; Q349-Y351 PolarHBondContact O-N 3.31Å; Y351-L355 WeakPolarHBondContact O-CB 3.46Å; Y351-L355 PolarHBondContact O-N 2.99Å |
| 352 | R | 97.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 61.2 Ų | 61.2 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 170.9 | -80.8 | -179.1 | 82 | 163.7 | 11.2 | 111.7 | I336 V348 Q349 E350 E356 E415 | I336-R352 HydrophobicContact CD1-CG 3.82Å; I336-R352 HydrophobicContact CG1-CG 4.16Å; I336-R352 HydrophobicContact CG2-CG 4.22Å; V348-R352 HydrophobicContact CG1-CG 4.45Å; V348-R352 VanDerWaalsContact O-CB 3.28Å; V348-R352 WeakPolarHBondContact O-CB 3.37Å; V348-R352 WeakPolarHBondContact O-CG 3.34Å; V348-R352 PolarHBondContact O-N 3.03Å; V348-R352 VanDerWaalsContact O-N 3.08Å; Q349-R352 PolarHBondContact O-N 3.01Å; E350-R352 PolarHBondContact O-N 3.42Å; R352-E356 WeakPolarHBondContact O-CB 3.43Å; R352-E356 PolarHBondContact O-N 2.97Å; R352-E415 IonicContact NH2-OE1 3.22Å; R352-E415 PolarHBondContact NH2-OE1 2.72Å |
| 353 | E | 97.2 | Very high | 94.7 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.1 | -45.8 | 176.9 | -72.6 | 177.6 | -172.5 | 0 | 0 | 111.1 | Q349 E350 L355 E356 G357 | Q349-E353 PolarHBondContact NE2-OE1 3.01Å; Q349-E353 WeakPolarHBondContact O-CG 3.34Å; Q349-E353 PolarHBondContact O-N 3.47Å; E350-E353 PolarHBondContact O-N 2.75Å; E353-L355 PolarHBondContact O-N 2.84Å; E353-E356 PolarHBondContact O-N 3.01Å; E353-G357 PolarHBondContact O-N 2.82Å; E353-G357 VanDerWaalsContact O-N 3.11Å |
| 354 | A | 96.9 | Very high | 93.9 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W332 E350 G357 | W332-A354 HydrophobicContact CD2-CB 4.42Å; W332-A354 HydrophobicContact CE3-CB 3.96Å; W332-A354 HydrophobicContact CH2-CB 3.82Å; W332-A354 HydrophobicContact CZ2-CB 4.31Å; W332-A354 VanDerWaalsContact CZ3-C 3.47Å; W332-A354 HydrophobicContact CZ3-CB 3.64Å; W332-A354 WeakPolarHBondContact CZ3-O 3.34Å; E350-A354 WeakPolarHBondContact O-CB 3.43Å; E350-A354 PolarHBondContact O-N 3.06Å; A354-G357 PolarHBondContact O-N 3.03Å |
| 355 | L | 96.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 179.3 | -171.5 | 63.3 | 0 | 0 | 0 | 111.7 | P329 W332 T333 I336 Y351 E353 G357 I358 L359 Y407 | P329-L355 HydrophobicContact CB-CD1 4.09Å; W332-L355 HydrophobicContact CE3-CB 4.28Å; W332-L355 HydrophobicContact CE3-CD1 4.29Å; T333-L355 HydrophobicContact CG2-CD2 3.82Å; I336-L355 HydrophobicContact CD1-CD2 4.06Å; Y351-L355 WeakPolarHBondContact O-CB 3.46Å; Y351-L355 PolarHBondContact O-N 2.99Å; E353-L355 PolarHBondContact O-N 2.84Å; L355-G357 PolarHBondContact O-N 3.42Å; L355-I358 HydrophobicContact CD1-CD1 4.15Å; L355-I358 HydrophobicContact CD1-CG1 4.22Å; L355-I358 WeakPolarHBondContact O-CG1 2.89Å; L355-I358 PolarHBondContact O-N 3.35Å; L355-L359 HydrophobicContact CD1-CD2 4.33Å; L355-L359 HydrophobicContact CG-CD2 4.28Å; L355-L359 HydrophobicContact CG-CG 4.33Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 2.89Å; L355-L359 VanDerWaalsContact O-N 3.1Å; L355-Y407 HydrophobicContact CD2-CD2 3.58Å; L355-Y407 HydrophobicContact CD2-CE2 4.15Å |
| 356 | E | 94.9 | Very high | 93 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.9 | -31.5 | 177.6 | -175.7 | 67.3 | -161.1 | 0 | 0 | 112.4 | R352 E353 I358 R361 R367 | R352-E356 WeakPolarHBondContact O-CB 3.43Å; R352-E356 PolarHBondContact O-N 2.97Å; E353-E356 PolarHBondContact O-N 3.01Å; E356-I358 PolarHBondContact O-N 2.98Å; E356-R361 IonicContact OE1-NH2 3.8Å; E356-R361 PolarHBondContact OE1-NH2 3.48Å; E356-R367 VanDerWaalsContact CD-CZ 3.48Å; E356-R367 VanDerWaalsContact CD-NH2 3.27Å; E356-R367 IonicContact OE1-CZ 3.14Å; E356-R367 IonicContact OE1-NE 2.79Å; E356-R367 PolarHBondContact OE1-NE 3.14Å; E356-R367 IonicContact OE1-NH2 2.8Å; E356-R367 PolarHBondContact OE1-NH2 3.14Å; E356-R367 IonicContact OE2-CZ 2.68Å; E356-R367 IonicContact OE2-NE 3.37Å; E356-R367 PolarHBondContact OE2-NE 3.05Å; E356-R367 IonicContact OE2-NH1 3.59Å; E356-R367 IonicContact OE2-NH2 2.86Å; E356-R367 PolarHBondContact OE2-NH2 3.49Å |
| 357 | G | 95 | Very high | 92.7 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.3 | -23.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E353 A354 L355 | E353-G357 PolarHBondContact O-N 2.82Å; E353-G357 VanDerWaalsContact O-N 3.11Å; A354-G357 PolarHBondContact O-N 3.03Å; L355-G357 PolarHBondContact O-N 3.42Å |
| 358 | I | 95.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -110.2 | -19.1 | -176.4 | 64.8 | 166.8 | 0 | 0 | 0 | 113.7 | Y291 P329 W332 L355 E356 I360 Y373 | Y291-I358 HydrophobicContact CD1-CB 4.43Å; Y291-I358 HydrophobicContact CD1-CG2 3.7Å; Y291-I358 HydrophobicContact CE1-CG2 4.25Å; Y291-I358 VanDerWaalsContact O-CD1 3.29Å; Y291-I358 WeakPolarHBondContact O-CD1 3.37Å; P329-I358 HydrophobicContact CB-CD1 3.79Å; P329-I358 HydrophobicContact CG-CD1 3.8Å; W332-I358 HydrophobicContact CE3-CD1 3.78Å; W332-I358 HydrophobicContact CE3-CG1 4.47Å; W332-I358 HydrophobicContact CH2-CD1 4.37Å; W332-I358 HydrophobicContact CZ3-CD1 3.43Å; W332-I358 VanDerWaalsContact CZ3-CD1 3.43Å; W332-I358 HydrophobicContact CZ3-CG1 3.97Å; W332-I358 HydrophobicContact CZ3-CG2 4.34Å; L355-I358 HydrophobicContact CD1-CD1 4.15Å; L355-I358 HydrophobicContact CD1-CG1 4.22Å; L355-I358 WeakPolarHBondContact O-CG1 2.89Å; L355-I358 PolarHBondContact O-N 3.35Å; E356-I358 PolarHBondContact O-N 2.98Å; I358-I360 PolarHBondContact O-N 3.3Å; I358-Y373 HydrophobicContact CB-CE2 4.34Å; I358-Y373 HydrophobicContact CD1-CE2 4.07Å; I358-Y373 PolarHBondContact O-OH 3.36Å |
| 359 | L | 96.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | trans | -54.5 | 136.5 | -178.5 | -70.3 | 171.8 | 0 | 0 | 0 | 113.4 | L355 R367 V369 Y407 | L355-L359 HydrophobicContact CD1-CD2 4.33Å; L355-L359 HydrophobicContact CG-CD2 4.28Å; L355-L359 HydrophobicContact CG-CG 4.33Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 2.89Å; L355-L359 VanDerWaalsContact O-N 3.1Å; L359-R367 HydrophobicContact CD1-CB 4.11Å; L359-R367 HydrophobicContact CD1-CG 4.36Å; L359-V369 HydrophobicContact CD2-CB 4.27Å; L359-V369 HydrophobicContact CD2-CG2 3.56Å; L359-Y407 HydrophobicContact CD1-CD2 4.49Å; L359-Y407 HydrophobicContact CD1-CE1 4.44Å; L359-Y407 HydrophobicContact CD1-CE2 3.74Å | ||
| 360 | I | 94.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.9 | 178.2 | -60.4 | 173.1 | 0 | 0 | 0 | 109.3 | I358 G362 L368 P370 P394 V398 | I358-I360 PolarHBondContact O-N 3.3Å; I360-G362 PolarHBondContact O-N 3.37Å; I360-L368 HydrophobicContact CB-CB 4.33Å; I360-L368 PolarHBondContact N-O 2.95Å; I360-L368 PolarHBondContact O-N 2.81Å; I360-P370 HydrophobicContact CD1-CB 3.84Å; I360-P370 HydrophobicContact CD1-CG 4.03Å; I360-P370 HydrophobicContact CG1-CG 4.43Å; I360-P394 HydrophobicContact CD1-CB 3.71Å; I360-P394 HydrophobicContact CD1-CG 4.02Å; I360-V398 HydrophobicContact CD1-CG1 3.83Å; I360-V398 HydrophobicContact CD1-CG2 4.11Å |
| 361 | R | 91.9 | Very high | 92.4 | Very high | 169 Ų | 169 | 57.5 Ų | 57.5 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 106.4 | 174.6 | -64.5 | -176.7 | -175.8 | -91.8 | -8.8 | 110 | E356 | E356-R361 IonicContact OE1-NH2 3.8Å; E356-R361 PolarHBondContact OE1-NH2 3.48Å |
| 362 | G | 83.8 | Confident | 92.3 | Very high | 24 Ų | 24 | 57 Ų | 57 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | -75.5 | -175.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I360 N364 G365 I366 | I360-G362 PolarHBondContact O-N 3.37Å; G362-N364 PolarHBondContact O-N 2.93Å; G362-G365 PolarHBondContact O-N 2.97Å; G362-G365 VanDerWaalsContact O-N 3.13Å; G362-I366 PolarHBondContact N-O 3.15Å | ||
| 363 | K | 76.3 | Confident | 92.4 | Very high | 190 Ų | 190 | 54 Ų | 54 | 83% | 0.826 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -57.9 | 137.7 | 173.7 | -64.2 | 178.5 | -177.8 | 175.3 | 0 | 109.3 | G365 | K363-G365 VanDerWaalsContact C-N 3.26Å; K363-G365 PolarHBondContact O-N 3.08Å |
| 364 | N | 76.4 | Confident | 92.4 | Very high | 157 Ų | 157 | 48.3 Ų | 48.3 | 84% | 0.84 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | 67.3 | 15.3 | -176.1 | -48.1 | -25 | 0 | 0 | 0 | 115.6 | G362 | G362-N364 PolarHBondContact O-N 2.93Š|
| 365 | G | 84.6 | Confident | 92.4 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | 81.4 | 13.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G362 K363 | G362-G365 PolarHBondContact O-N 2.97Å; G362-G365 VanDerWaalsContact O-N 3.13Å; K363-G365 VanDerWaalsContact C-N 3.26Å; K363-G365 PolarHBondContact O-N 3.08Å |
| 366 | I | 89.4 | Confident | 92.4 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | trans | -65.2 | 133.1 | 175.6 | -60.1 | 167.5 | 0 | 0 | 0 | 109.4 | L17 Q20 T21 G362 L368 | L17-I366 HydrophobicContact CD1-CG2 3.54Å; Q20-I366 HydrophobicContact CB-CD1 4.24Å; T21-I366 HydrophobicContact CG2-CG2 3.9Å; G362-I366 PolarHBondContact N-O 3.15Å; I366-L368 HydrophobicContact CG2-CD2 3.82Å; I366-L368 HydrophobicContact CG2-CG 4.48Å | ||
| 367 | R | 92.7 | Very high | 92.3 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125 | 175 | -66.6 | 174.1 | 175.4 | 148.1 | -5.8 | 110.3 | E356 L359 Q404 Y407 | E356-R367 VanDerWaalsContact CD-CZ 3.48Å; E356-R367 VanDerWaalsContact CD-NH2 3.27Å; E356-R367 IonicContact OE1-CZ 3.14Å; E356-R367 IonicContact OE1-NE 2.79Å; E356-R367 PolarHBondContact OE1-NE 3.14Å; E356-R367 IonicContact OE1-NH2 2.8Å; E356-R367 PolarHBondContact OE1-NH2 3.14Å; E356-R367 IonicContact OE2-CZ 2.68Å; E356-R367 IonicContact OE2-NE 3.37Å; E356-R367 PolarHBondContact OE2-NE 3.05Å; E356-R367 IonicContact OE2-NH1 3.59Å; E356-R367 IonicContact OE2-NH2 2.86Å; E356-R367 PolarHBondContact OE2-NH2 3.49Å; L359-R367 HydrophobicContact CD1-CB 4.11Å; L359-R367 HydrophobicContact CD1-CG 4.36Å; R367-Q404 PolarHBondContact O-NE2 3.08Å; R367-Q404 VanDerWaalsContact O-NE2 3.16Å; R367-Y407 HydrophobicContact CB-CE1 4.49Å; R367-Y407 WeakPolarHBondContact CD-OH 3.22Å |
| 368 | L | 95.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.1 | -177.7 | -56.2 | 175.8 | 0 | 0 | 0 | 109.8 | T21 I360 I366 V398 P399 | T21-L368 HydrophobicContact CG2-CD2 3.75Å; I360-L368 HydrophobicContact CB-CB 4.33Å; I360-L368 PolarHBondContact N-O 2.95Å; I360-L368 PolarHBondContact O-N 2.81Å; I366-L368 HydrophobicContact CG2-CD2 3.82Å; I366-L368 HydrophobicContact CG2-CG 4.48Å; L368-V398 HydrophobicContact CB-CG1 3.96Å; L368-V398 HydrophobicContact CD1-CG1 4.1Å; L368-P399 HydrophobicContact CB-CB 4.48Å; L368-P399 HydrophobicContact CD2-CB 4.09Å; L368-P399 HydrophobicContact CD2-CG 4.21Å |
| 369 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -85.2 | 118.3 | 171.9 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | P329 L359 P399 H400 Y407 | P329-V369 HydrophobicContact CB-CG1 4.21Å; L359-V369 HydrophobicContact CD2-CB 4.27Å; L359-V369 HydrophobicContact CD2-CG2 3.56Å; V369-P399 WeakPolarHBondContact O-CA 3.32Å; V369-H400 PolarHBondContact O-N 3.48Å; V369-Y407 HydrophobicContact CG2-CD1 4.28Å; V369-Y407 HydrophobicContact CG2-CG 4.01Å | ||
| 370 | P | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -75.9 | 162.7 | 173.2 | 31 | -32.5 | 0 | 0 | 0 | 112.1 | P329 I360 Y373 P394 V398 | P329-P370 HydrophobicContact CG-CG 4.23Å; I360-P370 HydrophobicContact CD1-CB 3.84Å; I360-P370 HydrophobicContact CD1-CG 4.03Å; I360-P370 HydrophobicContact CG1-CG 4.43Å; P370-Y373 HydrophobicContact CG-CD2 4.33Å; P370-Y373 HydrophobicContact CG-CE2 3.42Å; P370-Y373 VanDerWaalsContact CG-CE2 3.42Å; P370-Y373 WeakPolarHBondContact CG-OH 3.39Å; P370-P394 HydrophobicContact CB-CB 4.22Å; P370-P394 HydrophobicContact CG-CB 4.43Å; P370-V398 HydrophobicContact CB-CG2 3.9Å | ||
| 371 | E | 95.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -61.3 | -52.8 | 174.6 | -174.5 | -176 | 162.9 | 0 | 0 | 110.9 | Y301 K302 W328 G396 K397 H400 | Y301-E371 WeakPolarHBondContact CE1-OE1 3.25Å; Y301-E371 PolarHBondContact OH-OE1 2.98Å; K302-E371 VanDerWaalsContact NZ-CD 3.28Å; K302-E371 IonicContact NZ-OE1 2.62Å; K302-E371 PolarHBondContact NZ-OE1 2.93Å; K302-E371 IonicContact NZ-OE2 3.07Å; K302-E371 PolarHBondContact NZ-OE2 3.36Å; W328-E371 HydrophobicContact CE3-CG 4.33Å; W328-E371 VanDerWaalsContact CE3-O 3.3Å; W328-E371 HydrophobicContact CH2-CG 3.7Å; W328-E371 HydrophobicContact CZ2-CG 4.37Å; W328-E371 HydrophobicContact CZ3-CG 3.68Å; E371-G396 WeakPolarHBondContact OE2-CA 3.43Å; E371-K397 HydrophobicContact CB-CB 4.35Å; E371-K397 PolarHBondContact N-O 3.06Å; E371-K397 PolarHBondContact OE2-N 3.26Å; E371-H400 HydrophobicContact CB-CB 4.06Å |
| 372 | L | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 171 | -177 | 59.9 | 79.6 | 0 | 0 | 0 | 113.8 | Y301 K302 C326 E327 W328 A374 M395 | Y301-L372 HydrophobicContact CD1-CD2 3.9Å; Y301-L372 HydrophobicContact CE1-CD2 3.79Å; K302-L372 HydrophobicContact CB-CD1 4.46Å; K302-L372 HydrophobicContact CB-CD2 4.24Å; K302-L372 HydrophobicContact CD-CD2 3.97Å; C326-L372 HydrophobicContact CB-CB 4.29Å; C326-L372 HydrophobicContact CB-CD1 3.91Å; C326-L372 HydrophobicContact CB-CD2 3.95Å; C326-L372 HydrophobicContact CB-CG 4.29Å; E327-L372 CarbonylContact O-C 3.59Å; E327-L372 VanDerWaalsContact O-CA 3.31Å; E327-L372 WeakPolarHBondContact O-CA 3.34Å; W328-L372 HydrophobicContact CD2-CB 4.15Å; W328-L372 HydrophobicContact CG-CB 4.12Å; W328-L372 HydrophobicContact CZ2-CD2 3.72Å; L372-A374 HydrophobicContact CD1-CB 4.28Å; L372-M395 HydrophobicContact CD1-CB 3.62Å; L372-M395 PolarHBondContact N-O 2.75Å; L372-M395 PolarHBondContact O-N 3.06Å |
| 373 | Y | 97.8 | Very high | 93 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.8 | 171.8 | -76 | -95.8 | 0 | 0 | 0 | 111.4 | Y291 C326 E327 P329 I358 P370 R392 V393 P394 | Y291-Y373 AromaticContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD1 3.49Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD2 4.15Å; Y291-Y373 AromaticContact CD1-CE1 3.76Å; Y291-Y373 HydrophobicContact CD1-CE1 3.76Å; Y291-Y373 HydrophobicContact CD1-CE2 4.38Å; Y291-Y373 AromaticContact CD1-CG 3.72Å; Y291-Y373 HydrophobicContact CD1-CG 3.72Å; Y291-Y373 AromaticContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CE1 4.11Å; Y291-Y373 HydrophobicContact CG-CD1 4.06Å; Y291-Y373 HydrophobicContact CG-CD2 4.28Å; Y291-Y373 AromaticContact CG-CG 3.85Å; Y291-Y373 HydrophobicContact CG-CG 3.85Å; C326-Y373 WeakPolarHBondContact CA-O 3.33Å; E327-Y373 PolarHBondContact N-O 3.45Å; E327-Y373 PolarHBondContact O-N 3.04Å; P329-Y373 HydrophobicContact CG-CD2 3.72Å; P329-Y373 HydrophobicContact CG-CE2 3.57Å; I358-Y373 HydrophobicContact CB-CE2 4.34Å; I358-Y373 HydrophobicContact CD1-CE2 4.07Å; I358-Y373 PolarHBondContact O-OH 3.36Å; P370-Y373 HydrophobicContact CG-CD2 4.33Å; P370-Y373 HydrophobicContact CG-CE2 3.42Å; P370-Y373 VanDerWaalsContact CG-CE2 3.42Å; P370-Y373 WeakPolarHBondContact CG-OH 3.39Å; Y373-R392 HydrophobicContact CD1-CB 4.39Å; Y373-R392 PolarHBondContact O-NH1 3.48Å; Y373-V393 WeakPolarHBondContact CA-O 3.42Å; Y373-P394 HydrophobicContact CD1-CB 4.36Å; Y373-P394 HydrophobicContact CE1-CB 3.91Å; Y373-P394 HydrophobicContact CE1-CG 4.37Å |
| 374 | A | 97.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L372 R392 V393 M395 | L372-A374 HydrophobicContact CD1-CB 4.28Å; A374-R392 CarbonylContact O-C 3.55Å; A374-R392 VanDerWaalsContact O-CA 3.29Å; A374-R392 WeakPolarHBondContact O-CA 3.34Å; A374-R392 WeakPolarHBondContact O-CB 3.19Å; A374-V393 PolarHBondContact N-O 3.34Å; A374-V393 PolarHBondContact O-N 3.31Å; A374-M395 HydrophobicContact CB-CB 4.41Å; A374-M395 HydrophobicContact CB-CG 4.01Å |
| 375 | V | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -63.4 | 136 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | P304 I324 V380 E383 V390 R392 | P304-V375 HydrophobicContact CG-CB 4.34Å; P304-V375 WeakPolarHBondContact CG-O 3.22Å; I324-V375 HydrophobicContact CB-CG2 4.28Å; V375-V380 HydrophobicContact CG1-CG2 4.33Å; V375-E383 HydrophobicContact CG1-CB 4.21Å; V375-E383 HydrophobicContact CG2-CG 4.13Å; V375-V390 HydrophobicContact CG1-CG1 4.13Å; V375-R392 HydrophobicContact CG2-CG 4.44Å | ||
| 376 | P | 96.4 | Very high | 95.2 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | trans | -61.6 | 136.6 | 173.6 | -25 | 35.5 | 0 | 0 | 0 | 111.8 | N378 K379 D391 V393 | P376-N378 VanDerWaalsContact CB-OD1 3.25Å; P376-N378 WeakPolarHBondContact CB-OD1 3.4Å; P376-N378 PolarHBondContact O-N 3.12Å; P376-K379 HydrophobicContact CB-CB 4.4Å; P376-K379 HydrophobicContact CB-CG 4.4Å; P376-K379 HydrophobicContact CG-CD 4.47Å; P376-K379 PolarHBondContact O-N 3.44Å; P376-D391 VanDerWaalsContact CD-O 3.3Å; P376-D391 WeakPolarHBondContact CD-O 3.42Å; P376-V393 HydrophobicContact CG-CG1 4.16Å; P376-V393 HydrophobicContact CG-CG2 4.48Å | ||
| 377 | P | 94.1 | Very high | 95.3 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 67% | 0.669 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -55.2 | -31.6 | -176.9 | -28.4 | 34.6 | 0 | 0 | 0 | 114.9 | P304 K379 | P304-P377 HydrophobicContact CB-CB 4.25Å; P304-P377 HydrophobicContact CB-CG 4.27Å; P377-K379 VanDerWaalsContact C-N 3.3Å; P377-K379 PolarHBondContact O-N 3.02Å |
| 378 | N | 95.7 | Very high | 95.2 | Very high | 137 Ų | 137 | 50.2 Ų | 50.2 | 73% | 0.733 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -79.9 | -4 | 178.9 | 63.6 | -40.3 | 0 | 0 | 0 | 114.7 | P376 | P376-N378 VanDerWaalsContact CB-OD1 3.25Å; P376-N378 WeakPolarHBondContact CB-OD1 3.4Å; P376-N378 PolarHBondContact O-N 3.12Å |
| 379 | K | 95.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 52.5 Ų | 52.5 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -120.8 | 8.8 | -177.7 | -64.7 | -166.5 | 174.8 | -169.2 | 0 | 114 | P376 P377 D381 E382 E383 V390 | P376-K379 HydrophobicContact CB-CB 4.4Å; P376-K379 HydrophobicContact CB-CG 4.4Å; P376-K379 HydrophobicContact CG-CD 4.47Å; P376-K379 PolarHBondContact O-N 3.44Å; P377-K379 VanDerWaalsContact C-N 3.3Å; P377-K379 PolarHBondContact O-N 3.02Å; K379-D381 VanDerWaalsContact C-N 3.32Å; K379-D381 PolarHBondContact O-N 3.19Å; K379-E382 WeakPolarHBondContact O-CB 3.32Å; K379-E382 PolarHBondContact O-N 3.15Å; K379-E382 VanDerWaalsContact O-N 3.15Å; K379-E383 PolarHBondContact O-N 3.47Å; K379-E383 VanDerWaalsContact O-N 3.14Å; K379-V390 HydrophobicContact CB-CG1 3.71Å; K379-V390 HydrophobicContact CB-CG2 4.29Å; K379-V390 HydrophobicContact CD-CG1 3.65Å; K379-V390 HydrophobicContact CG-CG1 4.36Å |
| 380 | V | 94.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | P304 R305 I324 V375 E382 E383 Y384 | P304-V380 HydrophobicContact CB-CG2 3.61Å; P304-V380 HydrophobicContact CG-CG2 3.82Å; R305-V380 HydrophobicContact CG-CG1 4.26Å; I324-V380 HydrophobicContact CD1-CG1 4.3Å; I324-V380 HydrophobicContact CG2-CG1 4.37Å; V375-V380 HydrophobicContact CG1-CG2 4.33Å; V380-E382 VanDerWaalsContact C-N 3.26Å; V380-E382 PolarHBondContact O-N 3.04Å; V380-E383 PolarHBondContact O-N 2.85Å; V380-Y384 HydrophobicContact CG1-CD2 3.97Å; V380-Y384 HydrophobicContact CG1-CE2 3.41Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.41Å; V380-Y384 WeakPolarHBondContact O-CD2 3.47Å; V380-Y384 PolarHBondContact O-N 2.94Å |
| 381 | D | 95.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 57 Ų | 57 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.8 | -23.1 | -179 | -60 | -25.5 | 0 | 0 | 0 | 113 | R305 K379 K385 | R305-D381 IonicContact NH2-OD1 3.04Å; R305-D381 PolarHBondContact NH2-OD1 3.43Å; K379-D381 VanDerWaalsContact C-N 3.32Å; K379-D381 PolarHBondContact O-N 3.19Å; D381-K385 WeakPolarHBondContact O-CG 3.33Å |
| 382 | E | 95.6 | Very high | 95.1 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.6 | -44.7 | 172.2 | -174.9 | -179.8 | 177.9 | 0 | 0 | 110.3 | K379 V380 K385 N386 V390 | K379-E382 WeakPolarHBondContact O-CB 3.32Å; K379-E382 PolarHBondContact O-N 3.15Å; K379-E382 VanDerWaalsContact O-N 3.15Å; V380-E382 VanDerWaalsContact C-N 3.26Å; V380-E382 PolarHBondContact O-N 3.04Å; E382-K385 PolarHBondContact O-N 3.48Å; E382-N386 PolarHBondContact O-N 3.29Å; E382-V390 HydrophobicContact CB-CG2 3.99Å; E382-V390 HydrophobicContact CG-CG2 3.87Å |
| 383 | E | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -40 | 177.9 | -172.2 | 68.3 | 177.9 | 0 | 0 | 112.1 | I324 V375 K379 V380 K385 N386 P387 H388 T389 V390 | I324-E383 HydrophobicContact CG2-CB 4.29Å; I324-E383 HydrophobicContact CG2-CG 3.97Å; V375-E383 HydrophobicContact CG1-CB 4.21Å; V375-E383 HydrophobicContact CG2-CG 4.13Å; K379-E383 PolarHBondContact O-N 3.47Å; K379-E383 VanDerWaalsContact O-N 3.14Å; V380-E383 PolarHBondContact O-N 2.85Å; E383-K385 VanDerWaalsContact C-N 3.28Å; E383-K385 PolarHBondContact O-N 3.13Å; E383-N386 CarbonylContact O-C 3.56Å; E383-N386 PolarHBondContact O-N 3.41Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.44Å; E383-H388 WeakPolarHBondContact OE1-CA 3.23Å; E383-H388 PolarHBondContact OE1-N 3.38Å; E383-T389 PolarHBondContact OE2-N 2.98Å; E383-V390 HydrophobicContact CB-CB 4.31Å; E383-V390 HydrophobicContact CB-CG2 3.92Å; E383-V390 WeakPolarHBondContact OE2-CB 3.44Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.42Å; E383-V390 PolarHBondContact OE2-N 3.09Å |
| 384 | Y | 94.3 | Very high | 95 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -34.3 | 174.3 | -71.9 | -43.9 | 0 | 0 | 0 | 113.5 | L320 E322 I324 V380 | L320-Y384 WeakPolarHBondContact O-CE1 3.48Å; L320-Y384 PolarHBondContact O-OH 2.71Å; E322-Y384 WeakPolarHBondContact O-CE1 3.44Å; I324-Y384 HydrophobicContact CD1-CE1 4.39Å; I324-Y384 HydrophobicContact CG1-CE1 4.3Å; I324-Y384 HydrophobicContact CG2-CD1 3.99Å; I324-Y384 HydrophobicContact CG2-CE1 3.65Å; V380-Y384 HydrophobicContact CG1-CD2 3.97Å; V380-Y384 HydrophobicContact CG1-CE2 3.41Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.41Å; V380-Y384 WeakPolarHBondContact O-CD2 3.47Å; V380-Y384 PolarHBondContact O-N 2.94Å |
| 385 | K | 94.9 | Very high | 94.8 | Very high | 163 Ų | 163 | 66.9 Ų | 66.9 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.2 | -39.5 | 179.2 | -73 | 172.1 | -175.4 | 173.4 | 0 | 111.4 | D381 E382 E383 | D381-K385 WeakPolarHBondContact O-CG 3.33Å; E382-K385 PolarHBondContact O-N 3.48Å; E383-K385 VanDerWaalsContact C-N 3.28Å; E383-K385 PolarHBondContact O-N 3.13Å |
| 386 | N | 93.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 68.6 Ų | 68.6 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -134.4 | 85.9 | -179.5 | -53.7 | -73.4 | 0 | 0 | 0 | 109.4 | E382 E383 T389 | E382-N386 PolarHBondContact O-N 3.29Å; E383-N386 CarbonylContact O-C 3.56Å; E383-N386 PolarHBondContact O-N 3.41Å; N386-T389 HydrophobicContact CB-CG2 3.82Å; N386-T389 WeakPolarHBondContact O-CB 3.41Å; N386-T389 WeakPolarHBondContact O-CG2 3.41Å; N386-T389 PolarHBondContact O-N 3.03Å; N386-T389 PolarHBondContact O-OG1 3.21Å |
| 387 | P | 91.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 70.1 Ų | 70.1 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 143.5 | -178.7 | -30.4 | 37.5 | 0 | 0 | 0 | 113.5 | N323 E383 T389 | N323-P387 HydrophobicContact CB-CB 4.09Å; N323-P387 HydrophobicContact CB-CG 4.2Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.44Å; P387-T389 VanDerWaalsContact C-N 3.29Å; P387-T389 PolarHBondContact O-N 2.68Å |
| 388 | H | 89.5 | Confident | 94.1 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 19.5 | 177.9 | -48.9 | -71.7 | 0 | 0 | 0 | 115.6 | R290 E383 | R290-H388 PolarHBondContact NE-O 3.05Å; E383-H388 WeakPolarHBondContact OE1-CA 3.23Å; E383-H388 PolarHBondContact OE1-N 3.38Å |
| 389 | T | 93.5 | Very high | 93.9 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | trans | -102.9 | -26.9 | -177.3 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | R290 E383 N386 P387 | R290-T389 PolarHBondContact NH2-O 2.81Å; E383-T389 PolarHBondContact OE2-N 2.98Å; N386-T389 HydrophobicContact CB-CG2 3.82Å; N386-T389 WeakPolarHBondContact O-CB 3.41Å; N386-T389 WeakPolarHBondContact O-CG2 3.41Å; N386-T389 PolarHBondContact O-N 3.03Å; N386-T389 PolarHBondContact O-OG1 3.21Å; P387-T389 VanDerWaalsContact C-N 3.29Å; P387-T389 PolarHBondContact O-N 2.68Å | ||
| 390 | V | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -80.1 | 132.6 | -177.4 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | R290 V375 K379 E382 E383 | R290-V390 PolarHBondContact NH2-O 3.01Å; V375-V390 HydrophobicContact CG1-CG1 4.13Å; K379-V390 HydrophobicContact CB-CG1 3.71Å; K379-V390 HydrophobicContact CB-CG2 4.29Å; K379-V390 HydrophobicContact CD-CG1 3.65Å; K379-V390 HydrophobicContact CG-CG1 4.36Å; E382-V390 HydrophobicContact CB-CG2 3.99Å; E382-V390 HydrophobicContact CG-CG2 3.87Å; E383-V390 HydrophobicContact CB-CB 4.31Å; E383-V390 HydrophobicContact CB-CG2 3.92Å; E383-V390 WeakPolarHBondContact OE2-CB 3.44Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.42Å; E383-V390 PolarHBondContact OE2-N 3.09Å |
| 391 | D | 96.1 | Very high | 93.9 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 130.8 | 172.4 | -68.7 | -24.6 | 0 | 0 | 0 | 111.5 | R290 Y291 P376 | R290-D391 IonicContact CZ-OD1 3.47Å; R290-D391 IonicContact NH1-OD1 3.55Å; R290-D391 PolarHBondContact NH1-OD1 3.2Å; R290-D391 IonicContact NH2-OD1 3.38Å; R290-D391 PolarHBondContact NH2-OD1 2.69Å; Y291-D391 WeakPolarHBondContact OH-CA 3.15Å; P376-D391 VanDerWaalsContact CD-O 3.3Å; P376-D391 WeakPolarHBondContact CD-O 3.42Å |
| 392 | R | 96.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 153.4 | -175.4 | -63.1 | 176.4 | 173.4 | -103.7 | -0.1 | 111.5 | Y291 E325 E327 Y373 A374 V375 | Y291-R392 HydrophobicContact CD2-CB 3.95Å; Y291-R392 HydrophobicContact CD2-CG 4.08Å; Y291-R392 HydrophobicContact CE2-CB 3.72Å; Y291-R392 HydrophobicContact CE2-CG 3.92Å; Y291-R392 PolarHBondContact OH-N 3.24Å; E325-R392 PolarHBondContact O-NH1 2.67Å; E325-R392 PolarHBondContact O-NH2 2.77Å; E327-R392 VanDerWaalsContact CD-NE 3.31Å; E327-R392 IonicContact OE1-CZ 2.94Å; E327-R392 VanDerWaalsContact OE1-CZ 3.31Å; E327-R392 IonicContact OE1-NE 3.94Å; E327-R392 PolarHBondContact OE1-NE 3.03Å; E327-R392 IonicContact OE1-NH2 3.65Å; E327-R392 PolarHBondContact OE1-NH2 3.42Å; Y373-R392 HydrophobicContact CD1-CB 4.39Å; Y373-R392 PolarHBondContact O-NH1 3.48Å; A374-R392 CarbonylContact O-C 3.55Å; A374-R392 VanDerWaalsContact O-CA 3.29Å; A374-R392 WeakPolarHBondContact O-CA 3.34Å; A374-R392 WeakPolarHBondContact O-CB 3.19Å; V375-R392 HydrophobicContact CG2-CG 4.44Å |
| 393 | V | 96.2 | Very high | 93.9 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.6 | 178.8 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | Y373 A374 P376 M395 | Y373-V393 WeakPolarHBondContact CA-O 3.42Å; A374-V393 PolarHBondContact N-O 3.34Å; A374-V393 PolarHBondContact O-N 3.31Å; P376-V393 HydrophobicContact CG-CG1 4.16Å; P376-V393 HydrophobicContact CG-CG2 4.48Å; V393-M395 HydrophobicContact CG2-CG 4.41Å; V393-M395 PolarHBondContact O-N 2.96Å |
| 394 | P | 96 | Very high | 94 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 38% | 0.377 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.3 | 177.4 | 28 | -33.8 | 0 | 0 | 0 | 110.4 | I360 P370 Y373 | I360-P394 HydrophobicContact CD1-CB 3.71Å; I360-P394 HydrophobicContact CD1-CG 4.02Å; P370-P394 HydrophobicContact CB-CB 4.22Å; P370-P394 HydrophobicContact CG-CB 4.43Å; Y373-P394 HydrophobicContact CD1-CB 4.36Å; Y373-P394 HydrophobicContact CE1-CB 3.91Å; Y373-P394 HydrophobicContact CE1-CG 4.37Å |
| 395 | M | 93.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.1 | -179.7 | -74.7 | -69.1 | -72.7 | 0 | 0 | 110.5 | L372 A374 V393 | L372-M395 HydrophobicContact CD1-CB 3.62Å; L372-M395 PolarHBondContact N-O 2.75Å; L372-M395 PolarHBondContact O-N 3.06Å; A374-M395 HydrophobicContact CB-CB 4.41Å; A374-M395 HydrophobicContact CB-CG 4.01Å; V393-M395 HydrophobicContact CG2-CG 4.41Å; V393-M395 PolarHBondContact O-N 2.96Å |
| 396 | G | 90.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 39 Ų | 39 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 80.6 | -153.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | E371 | E371-G396 WeakPolarHBondContact OE2-CA 3.43Š|
| 397 | K | 90.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 35.5 Ų | 35.5 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | trans | -69.9 | 134 | -175.6 | -63.2 | 170.2 | -175.7 | 169 | 0 | 111.1 | Q39 E371 H400 | Q39-K397 VanDerWaalsContact OE1-CE 3.28Å; E371-K397 HydrophobicContact CB-CB 4.35Å; E371-K397 PolarHBondContact N-O 3.06Å; E371-K397 PolarHBondContact OE2-N 3.26Å; K397-H400 PolarHBondContact O-N 3.24Å | ||
| 398 | V | 91.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 33 Ų | 33 | 39% | 0.388 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -139 | 110.5 | 175.1 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | I360 L368 P370 | I360-V398 HydrophobicContact CD1-CG1 3.83Å; I360-V398 HydrophobicContact CD1-CG2 4.11Å; L368-V398 HydrophobicContact CB-CG1 3.96Å; L368-V398 HydrophobicContact CD1-CG1 4.1Å; P370-V398 HydrophobicContact CB-CG2 3.9Å |
| 399 | P | 92.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | S | Bend | cis | -70.2 | 149.3 | -4.3 | 30.5 | -33.6 | 0 | 0 | 0 | 112 | L368 V369 L401 Q404 | L368-P399 HydrophobicContact CB-CB 4.48Å; L368-P399 HydrophobicContact CD2-CB 4.09Å; L368-P399 HydrophobicContact CD2-CG 4.21Å; V369-P399 WeakPolarHBondContact O-CA 3.32Å; P399-L401 HydrophobicContact CG-CD2 4.41Å; P399-L401 PolarHBondContact O-N 2.74Å; P399-Q404 HydrophobicContact CB-CB 4.18Å; P399-Q404 HydrophobicContact CB-CG 4.23Å |
| 400 | H | 94.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | trans | -80.2 | 109.1 | 162 | 173.7 | -139.4 | 0 | 0 | 0 | 108.5 | V369 E371 K397 W402 G403 Q404 | V369-H400 PolarHBondContact O-N 3.48Å; E371-H400 HydrophobicContact CB-CB 4.06Å; K397-H400 PolarHBondContact O-N 3.24Å; H400-W402 VanDerWaalsContact C-N 3.33Å; H400-W402 PolarHBondContact O-N 2.95Å; H400-G403 PolarHBondContact ND1-N 2.93Å; H400-G403 PolarHBondContact O-N 3.23Å; H400-G403 VanDerWaalsContact O-N 3.12Å; H400-Q404 WeakPolarHBondContact O-CB 3.39Å; H400-Q404 PolarHBondContact O-N 3.08Å | ||
| 401 | L | 95.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | -168.3 | -60.3 | -178 | 0 | 0 | 0 | 113.8 | T21 Y25 S34 S50 P399 Q404 S405 | T21-L401 WeakPolarHBondContact O-CD2 3.21Å; Y25-L401 HydrophobicContact CD2-CD1 4.28Å; Y25-L401 HydrophobicContact CD2-CD2 3.74Å; Y25-L401 HydrophobicContact CE2-CD2 3.92Å; Y25-L401 HydrophobicContact CG-CD1 4.42Å; S34-L401 WeakPolarHBondContact O-CD1 3.37Å; S50-L401 WeakPolarHBondContact OG-CB 3.23Å; P399-L401 HydrophobicContact CG-CD2 4.41Å; P399-L401 PolarHBondContact O-N 2.74Å; L401-Q404 PolarHBondContact O-N 3.13Å; L401-S405 VanDerWaalsContact O-CB 3.28Å; L401-S405 WeakPolarHBondContact O-CB 3.41Å; L401-S405 PolarHBondContact O-N 2.86Å |
| 402 | W | 95.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -53.9 | 174.2 | 174.4 | 8.3 | 0 | 0 | 0 | 111.4 | Y49 M183 W184 V330 Y334 H400 Q404 S405 L406 | Y49-W402 AromaticContact CD1-CD1 3.84Å; Y49-W402 AromaticContact CD1-NE1 3.42Å; Y49-W402 AromaticContact CD2-CD2 3.96Å; Y49-W402 HydrophobicContact CD2-CD2 3.96Å; Y49-W402 AromaticContact CD2-CE2 3.55Å; Y49-W402 HydrophobicContact CD2-CG 4.23Å; Y49-W402 AromaticContact CD2-CZ2 3.88Å; Y49-W402 HydrophobicContact CD2-CZ2 3.88Å; Y49-W402 AromaticContact CD2-NE1 3.58Å; Y49-W402 AromaticContact CE1-NE1 3.81Å; Y49-W402 AromaticContact CE2-CE2 3.74Å; Y49-W402 HydrophobicContact CE2-CH2 4.25Å; Y49-W402 AromaticContact CE2-CZ2 3.59Å; Y49-W402 HydrophobicContact CE2-CZ2 3.59Å; Y49-W402 AromaticContact CE2-NE1 3.95Å; Y49-W402 AromaticContact CG-CD1 3.48Å; Y49-W402 VanDerWaalsContact CG-CD1 3.48Å; Y49-W402 HydrophobicContact CG-CD2 4.22Å; Y49-W402 AromaticContact CG-CE2 3.8Å; Y49-W402 HydrophobicContact CG-CG 4.04Å; Y49-W402 HydrophobicContact CG-CZ2 4.48Å; Y49-W402 AromaticContact CG-NE1 3.31Å; Y49-W402 VanDerWaalsContact CG-NE1 3.31Å; Y49-W402 AromaticContact CZ-CZ2 3.96Å; M183-W402 HydrophobicContact CE-CH2 3.63Å; M183-W402 HydrophobicContact CE-CZ2 4.36Å; W184-W402 HydrophobicContact CH2-CH2 4.46Å; W184-W402 HydrophobicContact CZ3-CZ3 4.35Å; V330-W402 HydrophobicContact CG2-CG 4.45Å; Y334-W402 HydrophobicContact CE2-CZ2 4.21Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.42Å; Y334-W402 PolarHBondContact OH-NE1 3.41Å; H400-W402 VanDerWaalsContact C-N 3.33Å; H400-W402 PolarHBondContact O-N 2.95Å; W402-Q404 VanDerWaalsContact C-N 3.33Å; W402-Q404 PolarHBondContact O-N 3.43Å; W402-S405 PolarHBondContact O-N 3.26Å; W402-L406 VanDerWaalsContact NE1-CD1 3.35Å; W402-L406 PolarHBondContact O-N 3.09Å |
| 403 | G | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | H400 L406 Y407 | H400-G403 PolarHBondContact ND1-N 2.93Å; H400-G403 PolarHBondContact O-N 3.23Å; H400-G403 VanDerWaalsContact O-N 3.12Å; G403-L406 PolarHBondContact O-N 3.18Å; G403-Y407 WeakPolarHBondContact O-CB 3.35Å; G403-Y407 PolarHBondContact O-N 2.98Å |
| 404 | Q | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.3 | -171.1 | 67.3 | 37.6 | 0 | 0 | 111.6 | R367 P399 H400 L401 W402 Y407 I408 | R367-Q404 PolarHBondContact O-NE2 3.08Å; R367-Q404 VanDerWaalsContact O-NE2 3.16Å; P399-Q404 HydrophobicContact CB-CB 4.18Å; P399-Q404 HydrophobicContact CB-CG 4.23Å; H400-Q404 WeakPolarHBondContact O-CB 3.39Å; H400-Q404 PolarHBondContact O-N 3.08Å; L401-Q404 PolarHBondContact O-N 3.13Å; W402-Q404 VanDerWaalsContact C-N 3.33Å; W402-Q404 PolarHBondContact O-N 3.43Å; Q404-Y407 PolarHBondContact O-N 3.11Å; Q404-I408 HydrophobicContact CG-CD1 4.28Å; Q404-I408 VanDerWaalsContact O-CG1 3.29Å; Q404-I408 WeakPolarHBondContact O-CG1 3.45Å; Q404-I408 PolarHBondContact O-N 3.45Å; Q404-I408 VanDerWaalsContact O-N 3.09Å |
| 405 | S | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64 | -49.2 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | Y49 S50 A53 L401 W402 Y407 I408 L409 | Y49-S405 VanDerWaalsContact O-CB 3.23Å; Y49-S405 WeakPolarHBondContact O-CB 3.5Å; Y49-S405 PolarHBondContact O-OG 3.19Å; S50-S405 WeakPolarHBondContact O-CB 3.29Å; S50-S405 PolarHBondContact O-OG 2.88Å; A53-S405 VanDerWaalsContact CB-OG 3.31Å; A53-S405 WeakPolarHBondContact CB-OG 3.43Å; A53-S405 PolarHBondContact N-OG 3.46Å; L401-S405 VanDerWaalsContact O-CB 3.28Å; L401-S405 WeakPolarHBondContact O-CB 3.41Å; L401-S405 PolarHBondContact O-N 2.86Å; W402-S405 PolarHBondContact O-N 3.26Å; S405-Y407 VanDerWaalsContact C-N 3.3Å; S405-Y407 PolarHBondContact O-N 3.34Å; S405-I408 PolarHBondContact O-N 3.2Å; S405-I408 VanDerWaalsContact O-N 3.15Å; S405-L409 WeakPolarHBondContact O-CB 3.46Å; S405-L409 PolarHBondContact O-N 3.28Å |
| 406 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | 178.5 | -68 | -175.2 | 0 | 0 | 0 | 112.6 | Y49 L52 F265 V330 T333 Y334 I337 W402 G403 L409 S410 | Y49-L406 HydrophobicContact CD1-CD2 4.4Å; L52-L406 HydrophobicContact CD1-CD2 4.37Å; F265-L406 HydrophobicContact CE1-CD2 4.37Å; V330-L406 HydrophobicContact CG2-CD1 4Å; T333-L406 HydrophobicContact CG2-CB 4.5Å; T333-L406 VanDerWaalsContact OG1-CB 3.22Å; T333-L406 WeakPolarHBondContact OG1-CB 3.39Å; Y334-L406 HydrophobicContact CD2-CD1 4.05Å; Y334-L406 HydrophobicContact CE1-CD1 4.32Å; Y334-L406 HydrophobicContact CE2-CD1 3.53Å; I337-L406 HydrophobicContact CD1-CB 4.41Å; I337-L406 HydrophobicContact CD1-CD2 4.05Å; W402-L406 VanDerWaalsContact NE1-CD1 3.35Å; W402-L406 PolarHBondContact O-N 3.09Å; G403-L406 PolarHBondContact O-N 3.18Å; L406-L409 HydrophobicContact CD2-CD2 4.35Å; L406-L409 PolarHBondContact O-N 3.49Å; L406-S410 WeakPolarHBondContact O-CB 3.27Å; L406-S410 PolarHBondContact O-N 3.03Å; L406-S410 PolarHBondContact O-OG 3.24Å |
| 407 | Y | 97.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 16.1 Ų | 16.1 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 171.6 | 168 | -108.4 | 0 | 0 | 0 | 112.8 | L355 L359 R367 V369 G403 Q404 S405 S410 S411 | L355-Y407 HydrophobicContact CD2-CD2 3.58Å; L355-Y407 HydrophobicContact CD2-CE2 4.15Å; L359-Y407 HydrophobicContact CD1-CD2 4.49Å; L359-Y407 HydrophobicContact CD1-CE1 4.44Å; L359-Y407 HydrophobicContact CD1-CE2 3.74Å; R367-Y407 HydrophobicContact CB-CE1 4.49Å; R367-Y407 WeakPolarHBondContact CD-OH 3.22Å; V369-Y407 HydrophobicContact CG2-CD1 4.28Å; V369-Y407 HydrophobicContact CG2-CG 4.01Å; G403-Y407 WeakPolarHBondContact O-CB 3.35Å; G403-Y407 PolarHBondContact O-N 2.98Å; Q404-Y407 PolarHBondContact O-N 3.11Å; S405-Y407 VanDerWaalsContact C-N 3.3Å; S405-Y407 PolarHBondContact O-N 3.34Å; Y407-S410 PolarHBondContact O-OG 2.98Å; Y407-S410 VanDerWaalsContact O-OG 3.05Å; Y407-S411 WeakPolarHBondContact O-CB 3.34Å; Y407-S411 PolarHBondContact O-N 3.32Å; Y407-S411 PolarHBondContact O-OG 2.73Å |
| 408 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -47 | 177.6 | -66.9 | 167.1 | 0 | 0 | 0 | 109.9 | Y14 L17 V18 I22 A53 Q404 S405 S411 L412 | Y14-I408 HydrophobicContact CD1-CG2 4.03Å; L17-I408 HydrophobicContact CD2-CD1 3.91Å; L17-I408 HydrophobicContact CD2-CG1 3.68Å; L17-I408 HydrophobicContact CG-CD1 3.86Å; L17-I408 HydrophobicContact CG-CG1 4.22Å; V18-I408 HydrophobicContact CG2-CD1 3.9Å; V18-I408 HydrophobicContact CG2-CG2 4.15Å; I22-I408 HydrophobicContact CD1-CD1 4.05Å; A53-I408 HydrophobicContact CB-CB 3.94Å; A53-I408 HydrophobicContact CB-CD1 4.38Å; A53-I408 HydrophobicContact CB-CG2 3.96Å; Q404-I408 HydrophobicContact CG-CD1 4.28Å; Q404-I408 VanDerWaalsContact O-CG1 3.29Å; Q404-I408 WeakPolarHBondContact O-CG1 3.45Å; Q404-I408 PolarHBondContact O-N 3.45Å; Q404-I408 VanDerWaalsContact O-N 3.09Å; S405-I408 PolarHBondContact O-N 3.2Å; S405-I408 VanDerWaalsContact O-N 3.15Å; I408-S411 PolarHBondContact O-N 3.45Å; I408-L412 HydrophobicContact CG2-CD1 4.2Å; I408-L412 WeakPolarHBondContact O-CG 3.34Å; I408-L412 PolarHBondContact O-N 3.35Å |
| 409 | L | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 179.3 | -172.3 | 66.2 | 0 | 0 | 0 | 111.6 | L52 F265 S405 L406 S411 L412 L413 L418 I423 | L52-L409 HydrophobicContact CB-CD2 4.18Å; F265-L409 HydrophobicContact CE1-CD2 4.06Å; F265-L409 HydrophobicContact CZ-CD2 4.05Å; S405-L409 WeakPolarHBondContact O-CB 3.46Å; S405-L409 PolarHBondContact O-N 3.28Å; L406-L409 HydrophobicContact CD2-CD2 4.35Å; L406-L409 PolarHBondContact O-N 3.49Å; L409-S411 VanDerWaalsContact C-N 3.26Å; L409-S411 PolarHBondContact O-N 2.81Å; L409-L412 PolarHBondContact O-N 2.81Å; L409-L413 HydrophobicContact CG-CD1 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.43Å; L409-L413 PolarHBondContact O-N 2.69Å; L409-L418 HydrophobicContact CD1-CD1 4Å; L409-I423 HydrophobicContact CD1-CG2 4.14Å |
| 410 | S | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.6 | -35.1 | 177.9 | 76.5 | 0 | 0 | 0 | 0 | 111.8 | L406 Y407 A414 | L406-S410 WeakPolarHBondContact O-CB 3.27Å; L406-S410 PolarHBondContact O-N 3.03Å; L406-S410 PolarHBondContact O-OG 3.24Å; Y407-S410 PolarHBondContact O-OG 2.98Å; Y407-S410 VanDerWaalsContact O-OG 3.05Å; S410-A414 WeakPolarHBondContact O-CB 3.46Å; S410-A414 PolarHBondContact O-N 3.39Å |
| 411 | S | 96.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.9 | -41.6 | 176 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | Y14 Y407 I408 L409 L413 A414 E415 | Y14-S411 WeakPolarHBondContact OH-CB 3.41Å; Y407-S411 WeakPolarHBondContact O-CB 3.34Å; Y407-S411 PolarHBondContact O-N 3.32Å; Y407-S411 PolarHBondContact O-OG 2.73Å; I408-S411 PolarHBondContact O-N 3.45Å; L409-S411 VanDerWaalsContact C-N 3.26Å; L409-S411 PolarHBondContact O-N 2.81Å; S411-L413 VanDerWaalsContact C-N 3.32Å; S411-L413 PolarHBondContact O-N 2.65Å; S411-A414 PolarHBondContact O-N 3.18Å; S411-E415 VanDerWaalsContact O-CB 3.25Å; S411-E415 WeakPolarHBondContact O-CB 3.4Å; S411-E415 WeakPolarHBondContact O-CG 3.3Å; S411-E415 PolarHBondContact O-N 2.93Å |
| 412 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 174.6 | -71.2 | 171.2 | 0 | 0 | 0 | 111.9 | L11 Y14 L57 I408 L409 G416 F417 L418 | L11-L412 HydrophobicContact CD2-CD2 4.1Å; Y14-L412 HydrophobicContact CD1-CD2 4.41Å; Y14-L412 HydrophobicContact CD2-CD2 3.61Å; Y14-L412 HydrophobicContact CE2-CD2 3.82Å; Y14-L412 HydrophobicContact CG-CD2 3.93Å; L57-L412 HydrophobicContact CB-CD1 4.24Å; L57-L412 HydrophobicContact CD1-CD1 4.44Å; L57-L412 HydrophobicContact CD1-CD2 4.39Å; I408-L412 HydrophobicContact CG2-CD1 4.2Å; I408-L412 WeakPolarHBondContact O-CG 3.34Å; I408-L412 PolarHBondContact O-N 3.35Å; L409-L412 PolarHBondContact O-N 2.81Å; L412-G416 PolarHBondContact O-N 3.41Å; L412-F417 HydrophobicContact CD2-CB 4.1Å; L412-F417 HydrophobicContact CD2-CD2 4.19Å; L412-F417 HydrophobicContact CD2-CG 4.38Å; L412-F417 PolarHBondContact O-N 2.67Å; L412-L418 HydrophobicContact CB-CD1 3.82Å; L412-L418 HydrophobicContact CB-CG 4.23Å; L412-L418 HydrophobicContact CD1-CD1 4.13Å; L412-L418 PolarHBondContact O-N 3.33Å |
| 413 | L | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.5 | -53 | 175.5 | -72.6 | 167.4 | 0 | 0 | 0 | 112 | I337 V340 L409 S411 E415 G416 L418 I423 | I337-L413 HydrophobicContact CG1-CD1 4.32Å; I337-L413 HydrophobicContact CG2-CD1 4.34Å; V340-L413 HydrophobicContact CG1-CB 4.2Å; V340-L413 HydrophobicContact CG2-CB 4.45Å; L409-L413 HydrophobicContact CG-CD1 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.43Å; L409-L413 PolarHBondContact O-N 2.69Å; S411-L413 VanDerWaalsContact C-N 3.32Å; S411-L413 PolarHBondContact O-N 2.65Å; L413-E415 PolarHBondContact O-N 3.01Å; L413-G416 PolarHBondContact O-N 2.94Å; L413-L418 HydrophobicContact CD2-CB 3.75Å; L413-L418 HydrophobicContact CG-CB 4.36Å; L413-I423 HydrophobicContact CD1-CD1 3.57Å; L413-I423 HydrophobicContact CD2-CD1 3.79Å; L413-I423 HydrophobicContact CD2-CG1 4.23Å; L413-I423 HydrophobicContact CG-CD1 4.18Å |
| 414 | A | 95.1 | Very high | 95.6 | Very high | 32 Ų | 32 | 16.6 Ų | 16.6 | 26% | 0.264 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -66.2 | -22.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V340 V348 S410 S411 | V340-A414 HydrophobicContact CG2-CB 4.28Å; V348-A414 HydrophobicContact CG1-CB 4.08Å; S410-A414 WeakPolarHBondContact O-CB 3.46Å; S410-A414 PolarHBondContact O-N 3.39Å; S411-A414 PolarHBondContact O-N 3.18Å |
| 415 | E | 93.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 18.2 Ų | 18.2 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1 | 174.9 | -66.6 | 177 | 174.8 | 0 | 0 | 113.5 | R10 Y14 R352 S411 L413 F417 | R10-E415 IonicContact CZ-OE2 3.82Å; R10-E415 IonicContact NE-OE2 2.7Å; R10-E415 IonicContact NH2-OE1 3.82Å; R10-E415 PolarHBondContact NH2-OE1 3.46Å; R10-E415 IonicContact NH2-OE2 3.76Å; R10-E415 PolarHBondContact NH2-OE2 2.89Å; Y14-E415 WeakPolarHBondContact CE2-OE2 3.05Å; Y14-E415 PolarHBondContact OH-OE1 2.84Å; Y14-E415 PolarHBondContact OH-OE2 3.48Å; R352-E415 IonicContact NH2-OE1 3.22Å; R352-E415 PolarHBondContact NH2-OE1 2.72Å; S411-E415 VanDerWaalsContact O-CB 3.25Å; S411-E415 WeakPolarHBondContact O-CB 3.4Å; S411-E415 WeakPolarHBondContact O-CG 3.3Å; S411-E415 PolarHBondContact O-N 2.93Å; L413-E415 PolarHBondContact O-N 3.01Å; E415-F417 VanDerWaalsContact C-N 3.32Å; E415-F417 HydrophobicContact CB-CD2 3.77Å; E415-F417 HydrophobicContact CB-CE2 3.91Å; E415-F417 PolarHBondContact O-N 2.65Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.47Å |
| 416 | G | 92.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 20.9 Ų | 20.9 | 57% | 0.567 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 11 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | L412 L413 L418 | L412-G416 PolarHBondContact O-N 3.41Å; L413-G416 PolarHBondContact O-N 2.94Å; G416-L418 VanDerWaalsContact C-N 3.26Å |
| 417 | F | 94.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 24.5 Ų | 24.5 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -68.6 | -31.6 | 172.1 | -70.7 | -67.9 | 0 | 0 | 0 | 111.7 | R10 L11 Y14 A60 N64 L412 E415 | R10-F417 HydrophobicContact CB-CE2 4.3Å; R10-F417 HydrophobicContact CB-CZ 3.75Å; R10-F417 HydrophobicContact CG-CZ 4.48Å; L11-F417 HydrophobicContact CD1-CD1 4.48Å; L11-F417 HydrophobicContact CD2-CB 4.41Å; L11-F417 HydrophobicContact CD2-CD1 3.88Å; L11-F417 HydrophobicContact CD2-CE1 4.28Å; L11-F417 HydrophobicContact CD2-CG 4.05Å; L11-F417 HydrophobicContact CG-CD1 4.15Å; L11-F417 HydrophobicContact CG-CE1 4.16Å; Y14-F417 HydrophobicContact CE2-CD2 4.37Å; Y14-F417 HydrophobicContact CE2-CE2 4.21Å; A60-F417 HydrophobicContact CB-CB 4.29Å; N64-F417 PolarHBondContact ND2-O 2.97Å; L412-F417 HydrophobicContact CD2-CB 4.1Å; L412-F417 HydrophobicContact CD2-CD2 4.19Å; L412-F417 HydrophobicContact CD2-CG 4.38Å; L412-F417 PolarHBondContact O-N 2.67Å; E415-F417 VanDerWaalsContact C-N 3.32Å; E415-F417 HydrophobicContact CB-CD2 3.77Å; E415-F417 HydrophobicContact CB-CE2 3.91Å; E415-F417 PolarHBondContact O-N 2.65Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.47Å |
| 418 | L | 94.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -118.7 | 141.9 | 174 | -69.9 | 172.6 | 0 | 0 | 0 | 110.9 | G56 M59 A60 L409 L412 L413 G416 E422 I423 | G56-L418 WeakPolarHBondContact O-CD1 3.41Å; G56-L418 WeakPolarHBondContact O-CD2 3.29Å; M59-L418 HydrophobicContact CB-CD2 3.86Å; A60-L418 HydrophobicContact CB-CD2 3.95Å; A60-L418 HydrophobicContact CB-CG 4.12Å; L409-L418 HydrophobicContact CD1-CD1 4Å; L412-L418 HydrophobicContact CB-CD1 3.82Å; L412-L418 HydrophobicContact CB-CG 4.23Å; L412-L418 HydrophobicContact CD1-CD1 4.13Å; L412-L418 PolarHBondContact O-N 3.33Å; L413-L418 HydrophobicContact CD2-CB 3.75Å; L413-L418 HydrophobicContact CG-CB 4.36Å; G416-L418 VanDerWaalsContact C-N 3.26Å; L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 HydrophobicContact CD2-CB 4.36Å; L418-I423 HydrophobicContact CD1-CG2 4.13Å |
| 419 | A | 93.8 | Very high | 94.6 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 38% | 0.38 | 17% | 0.168 | S | C | . | . | trans | -92.2 | 154.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G421 E422 | A419-G421 VanDerWaalsContact C-N 3.27Å; A419-G421 PolarHBondContact O-N 3.19Å; A419-E422 HydrophobicContact CB-CG 4.37Å; A419-E422 PolarHBondContact N-OE2 3.36Å; A419-E422 WeakPolarHBondContact O-CB 3.2Å; A419-E422 PolarHBondContact O-N 3.45Å | ||
| 420 | T | 94.2 | Very high | 94.3 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 22% | 0.221 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -38.1 | -180 | 49 | 0 | 0 | 0 | 0 | 112.9 | V340 F341 E422 I423 D424 | V340-T420 HydrophobicContact CG1-CG2 3.92Å; F341-T420 HydrophobicContact CD1-CG2 3.8Å; F341-T420 HydrophobicContact CD2-CG2 4.25Å; F341-T420 HydrophobicContact CE1-CG2 3.94Å; F341-T420 HydrophobicContact CE2-CG2 4.36Å; F341-T420 HydrophobicContact CG-CG2 3.97Å; F341-T420 HydrophobicContact CZ-CG2 4.21Å; T420-E422 PolarHBondContact O-N 2.82Å; T420-I423 WeakPolarHBondContact O-CG1 3.24Å; T420-I423 PolarHBondContact O-N 3.42Å; T420-D424 PolarHBondContact O-N 2.81Å; T420-D424 VanDerWaalsContact O-N 3.13Å |
| 421 | G | 93.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 27% | 0.268 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69 | -13.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A419 D424 P425 | A419-G421 VanDerWaalsContact C-N 3.27Å; A419-G421 PolarHBondContact O-N 3.19Å; G421-D424 CarbonylContact O-C 3.53Å; G421-P425 WeakPolarHBondContact O-CA 3.38Å |
| 422 | E | 93 | Very high | 93.4 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.1 | -35.5 | 175.6 | -69.9 | 175.2 | 135.1 | 0 | 0 | 110.8 | M59 K63 L418 A419 T420 | M59-E422 HydrophobicContact CE-CB 3.71Å; M59-E422 HydrophobicContact CE-CG 4.35Å; M59-E422 WeakPolarHBondContact CE-O 3.21Å; M59-E422 HydrophobicContact SD-CB 4.38Å; K63-E422 VanDerWaalsContact CD-OE1 3.22Å; K63-E422 WeakPolarHBondContact CD-OE1 3.37Å; K63-E422 WeakPolarHBondContact CE-OE1 3.43Å; K63-E422 IonicContact NZ-OE1 3.82Å; K63-E422 PolarHBondContact NZ-OE1 2.93Å; K63-E422 IonicContact NZ-OE2 3.64Å; K63-E422 PolarHBondContact NZ-OE2 2.67Å; L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 HydrophobicContact CD2-CB 4.36Å; A419-E422 HydrophobicContact CB-CG 4.37Å; A419-E422 PolarHBondContact N-OE2 3.36Å; A419-E422 WeakPolarHBondContact O-CB 3.2Å; A419-E422 PolarHBondContact O-N 3.45Å; T420-E422 PolarHBondContact O-N 2.82Å |
| 423 | I | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -95.7 | -5.1 | 178.5 | 61.6 | 161.7 | 0 | 0 | 0 | 113.4 | W55 F265 F341 L409 L413 L418 T420 P425 | W55-I423 HydrophobicContact CH2-CB 4.41Å; W55-I423 WeakPolarHBondContact CH2-O 3.4Å; W55-I423 HydrophobicContact CZ3-CB 4.17Å; W55-I423 HydrophobicContact CZ3-CG2 4.44Å; F265-I423 HydrophobicContact CD2-CD1 4.21Å; F265-I423 HydrophobicContact CE2-CD1 3.8Å; F265-I423 HydrophobicContact CE2-CG1 4.34Å; F265-I423 HydrophobicContact CZ-CD1 4.24Å; F341-I423 HydrophobicContact CE2-CD1 3.87Å; F341-I423 HydrophobicContact CZ-CD1 3.82Å; F341-I423 HydrophobicContact CZ-CG1 4.04Å; L409-I423 HydrophobicContact CD1-CG2 4.14Å; L413-I423 HydrophobicContact CD1-CD1 3.57Å; L413-I423 HydrophobicContact CD2-CD1 3.79Å; L413-I423 HydrophobicContact CD2-CG1 4.23Å; L413-I423 HydrophobicContact CG-CD1 4.18Å; L418-I423 HydrophobicContact CD1-CG2 4.13Å; T420-I423 WeakPolarHBondContact O-CG1 3.24Å; T420-I423 PolarHBondContact O-N 3.42Å; I423-P425 VanDerWaalsContact C-CD 3.48Å |
| 424 | D | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -134.4 | 63.6 | 171.6 | 175.3 | 40.3 | 0 | 0 | 0 | 110.1 | Q147 F341 T420 G421 L426 N427 R428 R429 | Q147-D424 PolarHBondContact NE2-OD1 2.69Å; F341-D424 HydrophobicContact CE1-CB 4.26Å; F341-D424 HydrophobicContact CZ-CB 4.4Å; T420-D424 PolarHBondContact O-N 2.81Å; T420-D424 VanDerWaalsContact O-N 3.13Å; G421-D424 CarbonylContact O-C 3.53Å; D424-L426 PolarHBondContact O-N 2.92Å; D424-N427 PolarHBondContact O-N 3.19Å; D424-N427 PolarHBondContact OD1-N 2.83Å; D424-N427 WeakPolarHBondContact OD2-CA 3.43Å; D424-R428 WeakPolarHBondContact OD1-CB 3.37Å; D424-R428 PolarHBondContact OD1-N 3.5Å; D424-R428 PolarHBondContact OD2-N 3.12Å; D424-R429 PolarHBondContact O-NH1 3.39Å; D424-R429 VanDerWaalsContact O-NH1 3.13Å; D424-R429 WeakPolarHBondContact OD2-CB 3.42Å; D424-R429 WeakPolarHBondContact OD2-CG 3.36Å; D424-R429 IonicContact OD2-CZ 2.59Å; D424-R429 PolarHBondContact OD2-N 2.78Å; D424-R429 IonicContact OD2-NH1 3.97Å; D424-R429 PolarHBondContact OD2-NH1 3.15Å | ||
| 425 | P | 95 | Very high | 90.9 | Very high | 34 Ų | 34 | 47 Ų | 47 | 22% | 0.221 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.4 | 179.8 | 23.8 | -35.3 | 0 | 0 | 0 | 113.6 | Q147 A150 G421 I423 N427 | Q147-P425 HydrophobicContact CB-CG 4.48Å; Q147-P425 VanDerWaalsContact O-CG 3.25Å; Q147-P425 WeakPolarHBondContact O-CG 3.29Å; Q147-P425 VanDerWaalsContact OE1-CG 3.29Å; A150-P425 HydrophobicContact CB-CB 4.14Å; A150-P425 HydrophobicContact CB-CG 3.97Å; G421-P425 WeakPolarHBondContact O-CA 3.38Å; I423-P425 VanDerWaalsContact C-CD 3.48Å; P425-N427 PolarHBondContact O-N 3.32Å; P425-N427 PolarHBondContact O-ND2 2.87Å |
| 426 | L | 94.4 | Very high | 90.2 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.7 | 175.4 | -62.4 | 174.1 | 0 | 0 | 0 | 113.5 | A146 Q147 A150 A211 D424 R428 | A146-L426 HydrophobicContact CB-CD1 3.82Å; Q147-L426 HydrophobicContact CG-CD1 4.3Å; Q147-L426 VanDerWaalsContact OE1-N 3.15Å; A150-L426 HydrophobicContact CB-CD2 3.65Å; A150-L426 HydrophobicContact CB-CG 3.93Å; A211-L426 HydrophobicContact CB-CD1 3.83Å; A211-L426 WeakPolarHBondContact O-CD1 3.44Å; D424-L426 PolarHBondContact O-N 2.92Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.33Å; L426-R428 PolarHBondContact O-N 2.81Å |
| 427 | N | 93.9 | Very high | 89.7 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | trans | 58.1 | 33.1 | 173 | -60.5 | -62.4 | 0 | 0 | 0 | 115.2 | D424 P425 R429 F430 | D424-N427 PolarHBondContact O-N 3.19Å; D424-N427 PolarHBondContact OD1-N 2.83Å; D424-N427 WeakPolarHBondContact OD2-CA 3.43Å; P425-N427 PolarHBondContact O-N 3.32Å; P425-N427 PolarHBondContact O-ND2 2.87Å; N427-R429 PolarHBondContact O-N 3.4Å; N427-R429 VanDerWaalsContact OD1-CZ 3.27Å; N427-R429 PolarHBondContact OD1-NH1 3.31Å; N427-R429 PolarHBondContact OD1-NH2 3.35Å; N427-F430 HydrophobicContact CB-CD2 3.84Å; N427-F430 HydrophobicContact CB-CE2 4.14Å; N427-F430 PolarHBondContact O-N 3.05Å | ||
| 428 | R | 92.4 | Very high | 89.5 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -62.4 | -26.9 | -179.9 | -63 | -172.4 | 58.3 | 64.8 | 19.9 | 112.9 | A207 E210 A267 F268 D424 L426 F430 S431 | A207-R428 VanDerWaalsContact CA-CZ 3.47Å; A207-R428 VanDerWaalsContact CB-NH2 3.27Å; A207-R428 PolarHBondContact O-NH1 3.43Å; E210-R428 IonicContact OE2-CZ 3.71Å; E210-R428 IonicContact OE2-NH1 2.69Å; E210-R428 PolarHBondContact OE2-NH1 3.48Å; E210-R428 IonicContact OE2-NH2 3.35Å; E210-R428 PolarHBondContact OE2-NH2 3.21Å; A267-R428 VanDerWaalsContact O-CZ 3.25Å; A267-R428 PolarHBondContact O-NE 3.37Å; A267-R428 PolarHBondContact O-NH2 3.49Å; F268-R428 HydrophobicContact CB-CB 4.19Å; F268-R428 WeakPolarHBondContact CB-O 3.44Å; F268-R428 HydrophobicContact CD2-CB 4.01Å; D424-R428 WeakPolarHBondContact OD1-CB 3.37Å; D424-R428 PolarHBondContact OD1-N 3.5Å; D424-R428 PolarHBondContact OD2-N 3.12Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.33Å; L426-R428 PolarHBondContact O-N 2.81Å; R428-F430 PolarHBondContact O-N 2.75Å; R428-S431 WeakPolarHBondContact O-CB 3.37Å; R428-S431 PolarHBondContact O-N 3.25Å; R428-S431 PolarHBondContact O-OG 3.36Å |
| 429 | R | 92.3 | Very high | 89.5 | Confident | 49 Ų | 49 | 54 Ų | 54 | 19% | 0.185 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -54 | -19.3 | 175.8 | 71.1 | -172.8 | 174.2 | -78 | -2.8 | 114.6 | F268 F341 D424 N427 S431 | F268-R429 HydrophobicContact CD1-CB 4.26Å; F268-R429 HydrophobicContact CD2-CB 4.39Å; F268-R429 HydrophobicContact CE1-CB 4.02Å; F268-R429 HydrophobicContact CE2-CB 4.14Å; F268-R429 HydrophobicContact CG-CB 4.44Å; F268-R429 HydrophobicContact CZ-CB 3.95Å; F341-R429 HydrophobicContact CD1-CB 3.83Å; F341-R429 HydrophobicContact CD1-CG 4.43Å; F341-R429 HydrophobicContact CE1-CB 4.03Å; D424-R429 PolarHBondContact O-NH1 3.39Å; D424-R429 VanDerWaalsContact O-NH1 3.13Å; D424-R429 WeakPolarHBondContact OD2-CB 3.42Å; D424-R429 WeakPolarHBondContact OD2-CG 3.36Å; D424-R429 IonicContact OD2-CZ 2.59Å; D424-R429 PolarHBondContact OD2-N 2.78Å; D424-R429 IonicContact OD2-NH1 3.97Å; D424-R429 PolarHBondContact OD2-NH1 3.15Å; N427-R429 PolarHBondContact O-N 3.4Å; N427-R429 VanDerWaalsContact OD1-CZ 3.27Å; N427-R429 PolarHBondContact OD1-NH1 3.31Å; N427-R429 PolarHBondContact OD1-NH2 3.35Å; R429-S431 VanDerWaalsContact C-N 3.33Å |
| 430 | F | 91.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 48% | 0.482 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -89.8 | 9.3 | 178.4 | -60.8 | -53 | 0 | 0 | 0 | 113.9 | N427 R428 T432 S433 | N427-F430 HydrophobicContact CB-CD2 3.84Å; N427-F430 HydrophobicContact CB-CE2 4.14Å; N427-F430 PolarHBondContact O-N 3.05Å; R428-F430 PolarHBondContact O-N 2.75Å; F430-T432 PolarHBondContact O-N 2.86Å; F430-T432 VanDerWaalsContact O-N 3.14Å; F430-S433 WeakPolarHBondContact CB-OG 3.15Å; F430-S433 WeakPolarHBondContact O-CB 3.36Å; F430-S433 PolarHBondContact O-N 3.19Å; F430-S433 PolarHBondContact O-OG 2.52Å |
| 431 | S | 86.6 | Confident | 89.7 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.6 | 179.3 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | F268 R428 R429 | F268-S431 VanDerWaalsContact O-CB 3.3Å; F268-S431 WeakPolarHBondContact O-CB 3.31Å; F268-S431 PolarHBondContact O-OG 3.14Å; R428-S431 WeakPolarHBondContact O-CB 3.37Å; R428-S431 PolarHBondContact O-N 3.25Å; R428-S431 PolarHBondContact O-OG 3.36Å; R429-S431 VanDerWaalsContact C-N 3.33Å |
| 432 | T | 87 | Confident | 89.9 | Confident | 56 Ų | 56 | 49 Ų | 49 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.9 | 176.7 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | V270 E271 V276 F430 | V270-T432 WeakPolarHBondContact O-CG2 3.35Å; E271-T432 WeakPolarHBondContact O-CA 3.3Å; V276-T432 HydrophobicContact CG2-CG2 4.34Å; F430-T432 PolarHBondContact O-N 2.86Å; F430-T432 VanDerWaalsContact O-N 3.14Å |
| 433 | S | 85.6 | Confident | 90 | Very high | 57 Ų | 57 | 47 Ų | 47 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -66.2 | 146.9 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | F430 K435 | F430-S433 WeakPolarHBondContact CB-OG 3.15Å; F430-S433 WeakPolarHBondContact O-CB 3.36Å; F430-S433 PolarHBondContact O-N 3.19Å; F430-S433 PolarHBondContact O-OG 2.52Å; S433-K435 PolarHBondContact O-N 3.15Å |
| 434 | V | 77.8 | Confident | 90.1 | Very high | 149 Ų | 149 | 47.3 Ų | 47.3 | 90% | 0.903 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -59 | 123 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 435 | K | 73.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -86 | 144.2 | -178.2 | -61.1 | -177.4 | -179.8 | 178.3 | 0 | 110 | E271 S433 | E271-K435 IonicContact OE1-NZ 3.02Å; E271-K435 PolarHBondContact OE1-NZ 3.36Å; E271-K435 IonicContact OE2-NZ 3.95Å; E271-K435 PolarHBondContact OE2-NZ 3.02Å; S433-K435 PolarHBondContact O-N 3.15Å |
| 436 | P | 78 | Confident | 90.1 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 73% | 0.734 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 152 | 175.2 | 29.4 | -34.1 | 0 | 0 | 0 | 110.4 | V438 | P436-V438 PolarHBondContact O-N 2.9Š|
| 437 | D | 82.2 | Confident | 90 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 59% | 0.594 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 121.8 | 174.1 | -75.1 | -38.9 | 0 | 0 | 0 | 110.6 | R598 | D437-R598 VanDerWaalsContact CG-CZ 3.5Å; D437-R598 VanDerWaalsContact CG-NH1 3.28Å; D437-R598 IonicContact OD1-NH2 2.82Å; D437-R598 PolarHBondContact OD1-NH2 3.02Å; D437-R598 IonicContact OD2-CZ 3.69Å; D437-R598 IonicContact OD2-NH1 2.86Å; D437-R598 PolarHBondContact OD2-NH1 2.93Å; D437-R598 IonicContact OD2-NH2 3.29Å; D437-R598 PolarHBondContact OD2-NH2 3.43Å |
| 438 | V | 91.1 | Very high | 89.9 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 129.9 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | P436 W554 P560 | P436-V438 PolarHBondContact O-N 2.9Å; V438-W554 HydrophobicContact CG1-CB 4.12Å; V438-W554 HydrophobicContact CG2-CB 4.42Å; V438-P560 HydrophobicContact CG1-CG 3.76Å |
| 439 | V | 94.1 | Very high | 90 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 116.2 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | R598 K600 | V439-R598 HydrophobicContact CG2-CB 4.35Å; V439-K600 HydrophobicContact CG1-CB 3.92Å |
| 440 | V | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.6 | 178.4 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | V442 L547 L550 C551 P560 R598 V599 K600 | V440-V442 HydrophobicContact CG1-CG2 4.36Å; V440-L547 HydrophobicContact CB-CD2 4.25Å; V440-L547 HydrophobicContact CG1-CD2 3.56Å; V440-L550 HydrophobicContact CG1-CB 4.42Å; V440-L550 HydrophobicContact CG1-CD1 3.84Å; V440-L550 HydrophobicContact CG2-CB 3.94Å; V440-C551 HydrophobicContact CG2-CB 4.12Å; V440-P560 HydrophobicContact CB-CG 4.38Å; V440-P560 HydrophobicContact CG1-CB 4.43Å; V440-P560 HydrophobicContact CG1-CG 4.28Å; V440-P560 HydrophobicContact CG2-CG 4.1Å; V440-R598 PolarHBondContact N-O 2.84Å; V440-V599 CarbonylContact O-C 3.49Å; V440-V599 VanDerWaalsContact O-CA 3.27Å; V440-V599 WeakPolarHBondContact O-CA 3.41Å; V440-K600 PolarHBondContact O-N 3.41Å |
| 441 | Q | 96.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.6 | 176.3 | -62.1 | 176.5 | -56.2 | 0 | 0 | 108.5 | R559 P560 T561 L562 K600 F607 T610 S611 | Q441-R559 HydrophobicContact CG-CB 4.01Å; Q441-R559 VanDerWaalsContact OE1-CB 3.25Å; Q441-P560 WeakPolarHBondContact CB-O 3.16Å; Q441-P560 PolarHBondContact N-O 2.92Å; Q441-T561 HydrophobicContact CB-CG2 4.4Å; Q441-T561 CarbonylContact O-C 3.49Å; Q441-T561 WeakPolarHBondContact O-CA 3.48Å; Q441-T561 PolarHBondContact OE1-OG1 2.9Å; Q441-L562 PolarHBondContact O-N 2.9Å; Q441-K600 WeakPolarHBondContact CA-O 3.5Å; Q441-F607 HydrophobicContact CB-CD1 4.29Å; Q441-F607 HydrophobicContact CB-CD2 3.8Å; Q441-F607 HydrophobicContact CB-CE1 4.31Å; Q441-F607 HydrophobicContact CB-CE2 3.82Å; Q441-F607 HydrophobicContact CB-CG 4.02Å; Q441-F607 HydrophobicContact CB-CZ 4.06Å; Q441-F607 HydrophobicContact CG-CD1 4.1Å; Q441-F607 HydrophobicContact CG-CD2 4.48Å; Q441-F607 HydrophobicContact CG-CE1 4.19Å; Q441-F607 HydrophobicContact CG-CG 4.23Å; Q441-F607 HydrophobicContact CG-CZ 4.39Å; Q441-T610 PolarHBondContact NE2-OG1 3.17Å; Q441-S611 PolarHBondContact OE1-OG 3.11Å |
| 442 | V | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.8 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | V440 V444 L547 L562 L589 V599 K600 L601 G602 | V440-V442 HydrophobicContact CG1-CG2 4.36Å; V442-V444 HydrophobicContact CG1-CG2 4.29Å; V442-L547 HydrophobicContact CG2-CD2 3.65Å; V442-L562 WeakPolarHBondContact CA-O 3.07Å; V442-L562 HydrophobicContact CG1-CD2 4.31Å; V442-L589 HydrophobicContact CG1-CD1 4.27Å; V442-V599 HydrophobicContact CB-CG1 4.06Å; V442-V599 HydrophobicContact CG2-CG1 3.55Å; V442-K600 PolarHBondContact N-O 2.94Å; V442-L601 HydrophobicContact CB-CD1 4.41Å; V442-L601 HydrophobicContact CG1-CD1 4.25Å; V442-L601 WeakPolarHBondContact O-CA 3.44Å; V442-G602 PolarHBondContact O-N 3.24Å |
| 443 | T | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.3 | 172.4 | -55.3 | 0 | 0 | 0 | 0 | 108.2 | L445 L562 F564 L604 | T443-L445 HydrophobicContact CG2-CD2 3.72Å; T443-L445 HydrophobicContact CG2-CG 4.03Å; T443-L562 PolarHBondContact N-O 3.34Å; T443-F564 PolarHBondContact O-N 2.91Å; T443-L604 HydrophobicContact CG2-CB 4.01Å |
| 444 | V | 95.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.3 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | V442 V462 F564 I566 I586 L601 | V442-V444 HydrophobicContact CG1-CG2 4.29Å; V444-V462 HydrophobicContact CB-CG1 4.19Å; V444-V462 HydrophobicContact CG1-CG1 4.01Å; V444-F564 WeakPolarHBondContact CA-O 3.28Å; V444-F564 HydrophobicContact CG2-CD1 4.46Å; V444-I566 HydrophobicContact CG1-CD1 4.05Å; V444-I566 HydrophobicContact CG1-CG1 3.61Å; V444-I586 HydrophobicContact CG1-CD1 4.38Å; V444-L601 HydrophobicContact CB-CD1 4.38Å; V444-L601 HydrophobicContact CG2-CD1 3.63Å |
| 445 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.5 | -179.4 | -62.7 | 179.5 | 0 | 0 | 0 | 111 | T443 Q463 I468 V473 T563 F564 P565 I566 | T443-L445 HydrophobicContact CG2-CD2 3.72Å; T443-L445 HydrophobicContact CG2-CG 4.03Å; L445-Q463 CarbonylContact C-O 3.54Å; L445-Q463 WeakPolarHBondContact CA-O 3.33Å; L445-Q463 HydrophobicContact CD2-CB 4.04Å; L445-I468 HydrophobicContact CD1-CD1 3.7Å; L445-I468 HydrophobicContact CD2-CD1 4.43Å; L445-I468 HydrophobicContact CD2-CG2 4.17Å; L445-V473 HydrophobicContact CD1-CG2 3.75Å; L445-T563 HydrophobicContact CD1-CG2 3.49Å; L445-T563 VanDerWaalsContact CD1-CG2 3.49Å; L445-T563 HydrophobicContact CG-CG2 4.2Å; L445-F564 PolarHBondContact N-O 2.82Å; L445-P565 CarbonylContact O-C 3.22Å; L445-P565 WeakPolarHBondContact O-CA 3.43Å; L445-I566 PolarHBondContact O-N 2.76Å |
| 446 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N448 I451 K452 V462 Q463 S464 I465 | A446-N448 PolarHBondContact O-N 2.99Å; A446-I451 HydrophobicContact CB-CB 4.21Å; A446-I451 HydrophobicContact CB-CG2 4.04Å; A446-K452 HydrophobicContact CB-CB 3.72Å; A446-V462 HydrophobicContact CB-CG2 3.96Å; A446-Q463 PolarHBondContact N-O 2.65Å; A446-S464 VanDerWaalsContact O-CA 3.23Å; A446-S464 WeakPolarHBondContact O-CA 3.18Å; A446-I465 PolarHBondContact O-N 3.47Å; A446-I465 VanDerWaalsContact O-N 3.1Å |
| 447 | E | 91.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -57.5 | -37.6 | 175.2 | -176.5 | -173 | -178.9 | 0 | 0 | 111.7 | I451 I566 S567 R568 | E447-I451 HydrophobicContact CB-CD1 4.1Å; E447-I566 WeakPolarHBondContact CB-O 3.45Å; E447-I566 PolarHBondContact N-O 3Å; E447-S567 WeakPolarHBondContact OE2-CA 3.33Å; E447-S567 WeakPolarHBondContact OE2-CB 3.48Å; E447-R568 PolarHBondContact OE2-N 2.89Å |
| 448 | N | 92.5 | Very high | 94.3 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -145.9 | 171.6 | 179.4 | 61.7 | 43.8 | 0 | 0 | 0 | 112.3 | A446 H450 I451 K452 | A446-N448 PolarHBondContact O-N 2.99Å; N448-H450 PolarHBondContact O-N 3.25Å; N448-H450 WeakPolarHBondContact OD1-CB 3.29Å; N448-H450 PolarHBondContact OD1-N 3.07Å; N448-H450 VanDerWaalsContact OD1-N 3.11Å; N448-I451 PolarHBondContact O-N 2.99Å; N448-I451 WeakPolarHBondContact OD1-CG1 3.22Å; N448-I451 PolarHBondContact OD1-N 2.6Å; N448-K452 PolarHBondContact O-N 2.76Å; N448-K452 VanDerWaalsContact O-N 3.13Å |
| 449 | N | 93.3 | Very high | 94.2 | Very high | 94 Ų | 94 | 43.1 Ų | 43.1 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -28 | -179.7 | -73.7 | -35.1 | 0 | 0 | 0 | 113.7 | K452 D453 | N449-K452 WeakPolarHBondContact O-CB 3.29Å; N449-K452 PolarHBondContact O-N 3.37Å; N449-D453 PolarHBondContact O-N 3.16Å |
| 450 | H | 93 | Very high | 94.1 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.8 | -47.9 | 177.6 | 175.2 | 66 | 0 | 0 | 0 | 111.6 | N448 K452 D453 L454 | N448-H450 PolarHBondContact O-N 3.25Å; N448-H450 WeakPolarHBondContact OD1-CB 3.29Å; N448-H450 PolarHBondContact OD1-N 3.07Å; N448-H450 VanDerWaalsContact OD1-N 3.11Å; H450-K452 VanDerWaalsContact C-N 3.31Å; H450-K452 PolarHBondContact O-N 3.38Å; H450-D453 PolarHBondContact O-N 3.28Å; H450-L454 PolarHBondContact O-N 2.99Å |
| 451 | I | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 176 | -65.5 | 173.2 | 0 | 0 | 0 | 110.7 | A446 E447 N448 D453 L454 L455 I566 L571 | A446-I451 HydrophobicContact CB-CB 4.21Å; A446-I451 HydrophobicContact CB-CG2 4.04Å; E447-I451 HydrophobicContact CB-CD1 4.1Å; N448-I451 PolarHBondContact O-N 2.99Å; N448-I451 WeakPolarHBondContact OD1-CG1 3.22Å; N448-I451 PolarHBondContact OD1-N 2.6Å; I451-D453 VanDerWaalsContact C-N 3.3Å; I451-D453 PolarHBondContact O-N 3.32Å; I451-L454 PolarHBondContact O-N 3.49Å; I451-L455 HydrophobicContact CG2-CD1 4.09Å; I451-L455 PolarHBondContact O-N 3.27Å; I451-I566 WeakPolarHBondContact CD1-O 3.47Å; I451-I566 HydrophobicContact CG2-CB 4.04Å; I451-I566 HydrophobicContact CG2-CG2 3.7Å; I451-L571 HydrophobicContact CG1-CD1 4.29Å; I451-L571 HydrophobicContact CG1-CD2 4.44Å |
| 452 | K | 94.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 174.6 | -175.9 | 179.9 | 177.9 | -176.8 | 0 | 111.7 | A446 N448 N449 H450 L455 R456 V462 D467 | A446-K452 HydrophobicContact CB-CB 3.72Å; N448-K452 PolarHBondContact O-N 2.76Å; N448-K452 VanDerWaalsContact O-N 3.13Å; N449-K452 WeakPolarHBondContact O-CB 3.29Å; N449-K452 PolarHBondContact O-N 3.37Å; H450-K452 VanDerWaalsContact C-N 3.31Å; H450-K452 PolarHBondContact O-N 3.38Å; K452-L455 PolarHBondContact O-N 3.29Å; K452-R456 PolarHBondContact O-N 3.23Å; K452-V462 WeakPolarHBondContact CE-O 3.24Å; K452-V462 HydrophobicContact CG-CG2 4.33Å; K452-D467 WeakPolarHBondContact CE-OD2 3.15Å; K452-D467 IonicContact NZ-OD1 3.81Å; K452-D467 PolarHBondContact NZ-OD1 2.92Å; K452-D467 IonicContact NZ-OD2 2.68Å; K452-D467 PolarHBondContact NZ-OD2 3.07Å |
| 453 | D | 94.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.7 | -34 | 178.3 | -70.9 | -27.5 | 0 | 0 | 0 | 112.4 | N449 H450 I451 R456 K457 | N449-D453 PolarHBondContact O-N 3.16Å; H450-D453 PolarHBondContact O-N 3.28Å; I451-D453 VanDerWaalsContact C-N 3.3Å; I451-D453 PolarHBondContact O-N 3.32Å; D453-R456 PolarHBondContact O-N 2.74Å; D453-R456 IonicContact OD1-CZ 3.83Å; D453-R456 IonicContact OD1-NH1 2.77Å; D453-R456 PolarHBondContact OD1-NH1 3.02Å; D453-R456 IonicContact OD1-NH2 2.64Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 3.27Å; D453-K457 VanDerWaalsContact O-N 3.12Å |
| 454 | L | 94.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -47 | 171.9 | -70.3 | 176.9 | 0 | 0 | 0 | 112 | H450 I451 R456 K457 H458 L571 S576 I578 | H450-L454 PolarHBondContact O-N 2.99Å; I451-L454 PolarHBondContact O-N 3.49Å; L454-R456 VanDerWaalsContact C-N 3.28Å; L454-R456 PolarHBondContact O-N 2.98Å; L454-K457 HydrophobicContact CD2-CD 4.36Å; L454-K457 WeakPolarHBondContact O-CB 3.38Å; L454-K457 PolarHBondContact O-N 3.3Å; L454-K457 VanDerWaalsContact O-N 3.17Å; L454-H458 PolarHBondContact O-CD2 3.24Å; L454-H458 PolarHBondContact O-N 2.74Å; L454-L571 HydrophobicContact CD1-CD1 4.24Å; L454-L571 HydrophobicContact CD1-CD2 3.98Å; L454-S576 WeakPolarHBondContact CD2-O 3.39Å; L454-I578 HydrophobicContact CB-CD1 4.24Å; L454-I578 HydrophobicContact CB-CG1 4.15Å |
| 455 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 176 | -79.3 | 164.4 | 0 | 0 | 0 | 111.2 | I451 K452 K457 H458 G459 V460 V462 I566 I578 I586 | I451-L455 HydrophobicContact CG2-CD1 4.09Å; I451-L455 PolarHBondContact O-N 3.27Å; K452-L455 PolarHBondContact O-N 3.29Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.13Å; L455-H458 PolarHBondContact O-N 2.99Å; L455-G459 PolarHBondContact O-N 3.18Å; L455-V460 CarbonylContact C-O 3.52Å; L455-V460 HydrophobicContact CB-CB 4.32Å; L455-V460 HydrophobicContact CD2-CB 4.23Å; L455-V460 HydrophobicContact CD2-CG1 4.28Å; L455-V460 PolarHBondContact O-N 3.09Å; L455-V462 HydrophobicContact CB-CG2 4.2Å; L455-V462 HydrophobicContact CD1-CB 4.39Å; L455-V462 HydrophobicContact CD1-CG1 4.09Å; L455-V462 HydrophobicContact CD1-CG2 3.44Å; L455-V462 VanDerWaalsContact CD1-CG2 3.44Å; L455-V462 HydrophobicContact CG-CG2 4.43Å; L455-I566 HydrophobicContact CD1-CB 4.44Å; L455-I566 HydrophobicContact CD1-CG1 4.21Å; L455-I578 HydrophobicContact CB-CD1 4.12Å; L455-I578 HydrophobicContact CD2-CD1 3.22Å; L455-I578 HydrophobicContact CG-CD1 3.35Å; L455-I586 HydrophobicContact CD2-CD1 3.75Å |
| 456 | R | 94.7 | Very high | 92.8 | Very high | 119 Ų | 119 | 57.1 Ų | 57.1 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.2 | -169.8 | -174.6 | -64.5 | 133.5 | 8.7 | 112.5 | K452 D453 L454 H458 G459 V460 | K452-R456 PolarHBondContact O-N 3.23Å; D453-R456 PolarHBondContact O-N 2.74Å; D453-R456 IonicContact OD1-CZ 3.83Å; D453-R456 IonicContact OD1-NH1 2.77Å; D453-R456 PolarHBondContact OD1-NH1 3.02Å; D453-R456 IonicContact OD1-NH2 2.64Å; L454-R456 VanDerWaalsContact C-N 3.28Å; L454-R456 PolarHBondContact O-N 2.98Å; R456-H458 PolarHBondContact O-N 3.22Å; R456-G459 PolarHBondContact O-N 3.22Å; R456-V460 WeakPolarHBondContact CA-O 3.4Å; R456-V460 PolarHBondContact N-O 3.46Å |
| 457 | K | 93.6 | Very high | 92.5 | Very high | 164 Ų | 164 | 60.5 Ų | 60.5 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -29.9 | 175.7 | -70.9 | 172 | -172.8 | 175.6 | 0 | 112.3 | D453 L454 L455 G459 | D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 3.27Å; D453-K457 VanDerWaalsContact O-N 3.12Å; L454-K457 HydrophobicContact CD2-CD 4.36Å; L454-K457 WeakPolarHBondContact O-CB 3.38Å; L454-K457 PolarHBondContact O-N 3.3Å; L454-K457 VanDerWaalsContact O-N 3.17Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.13Å; K457-G459 VanDerWaalsContact C-N 3.32Å |
| 458 | H | 92.5 | Very high | 92.4 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 25% | 0.25 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 9.7 | 176.6 | -73.5 | -71.8 | 0 | 0 | 0 | 114.5 | L454 L455 R456 V460 D577 L583 | L454-H458 PolarHBondContact O-CD2 3.24Å; L454-H458 PolarHBondContact O-N 2.74Å; L455-H458 PolarHBondContact O-N 2.99Å; R456-H458 PolarHBondContact O-N 3.22Å; H458-V460 VanDerWaalsContact C-N 3.33Å; H458-D577 IonicContact CD2-OD1 3.68Å; H458-D577 PolarHBondContact CD2-OD1 2.97Å; H458-D577 IonicContact CE1-OD1 3.26Å; H458-D577 IonicContact CE1-OD2 3.6Å; H458-D577 PolarHBondContact CE1-OD2 3.2Å; H458-D577 IonicContact NE2-OD1 3.34Å; H458-D577 PolarHBondContact NE2-OD1 2.95Å; H458-D577 IonicContact NE2-OD2 3.9Å; H458-D577 PolarHBondContact NE2-OD2 3.02Å; H458-L583 HydrophobicContact CB-CD1 3.76Å; H458-L583 HydrophobicContact CB-CD2 4.27Å |
| 459 | G | 90.5 | Very high | 92 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 5.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L455 R456 K457 | L455-G459 PolarHBondContact O-N 3.18Å; R456-G459 PolarHBondContact O-N 3.22Å; K457-G459 VanDerWaalsContact C-N 3.32Å |
| 460 | V | 91.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | trans | -95.6 | 117 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | L455 R456 H458 V462 L583 I586 | L455-V460 CarbonylContact C-O 3.52Å; L455-V460 HydrophobicContact CB-CB 4.32Å; L455-V460 HydrophobicContact CD2-CB 4.23Å; L455-V460 HydrophobicContact CD2-CG1 4.28Å; L455-V460 PolarHBondContact O-N 3.09Å; R456-V460 WeakPolarHBondContact CA-O 3.4Å; R456-V460 PolarHBondContact N-O 3.46Å; H458-V460 VanDerWaalsContact C-N 3.33Å; V460-V462 HydrophobicContact CG1-CG1 3.83Å; V460-L583 HydrophobicContact CG2-CD1 4.33Å; V460-I586 HydrophobicContact CB-CG2 4.5Å; V460-I586 HydrophobicContact CG1-CG2 3.68Å; V460-I586 HydrophobicContact CG2-CG2 3.98Å | ||
| 461 | N | 91.1 | Very high | 91.6 | Very high | 129 Ų | 129 | 56.5 Ų | 56.5 | 69% | 0.69 | 31% | 0.305 | S | S | * | . | trans | -94.5 | 116 | 176.7 | -68.1 | -54.6 | 0 | 0 | 0 | 110.4 | ||||
| 462 | V | 92.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | trans | -128.8 | 160.5 | 178 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | V444 A446 K452 L455 V460 | V444-V462 HydrophobicContact CB-CG1 4.19Å; V444-V462 HydrophobicContact CG1-CG1 4.01Å; A446-V462 HydrophobicContact CB-CG2 3.96Å; K452-V462 WeakPolarHBondContact CE-O 3.24Å; K452-V462 HydrophobicContact CG-CG2 4.33Å; L455-V462 HydrophobicContact CB-CG2 4.2Å; L455-V462 HydrophobicContact CD1-CB 4.39Å; L455-V462 HydrophobicContact CD1-CG1 4.09Å; L455-V462 HydrophobicContact CD1-CG2 3.44Å; L455-V462 VanDerWaalsContact CD1-CG2 3.44Å; L455-V462 HydrophobicContact CG-CG2 4.43Å; V460-V462 HydrophobicContact CG1-CG1 3.83Å | ||
| 463 | Q | 94.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 147.7 | 169.3 | -60.7 | 177.1 | -70.1 | 0 | 0 | 110 | L445 A446 D467 I468 N603 | L445-Q463 CarbonylContact C-O 3.54Å; L445-Q463 WeakPolarHBondContact CA-O 3.33Å; L445-Q463 HydrophobicContact CD2-CB 4.04Å; A446-Q463 PolarHBondContact N-O 2.65Å; Q463-D467 HydrophobicContact CB-CB 4.26Å; Q463-I468 HydrophobicContact CB-CG2 3.82Å; Q463-I468 HydrophobicContact CG-CG2 4.39Å; Q463-N603 WeakPolarHBondContact CG-OD1 3.44Å; Q463-N603 PolarHBondContact OE1-OD1 3.22Å |
| 464 | S | 93.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 162.2 | 166.5 | 71 | 0 | 0 | 0 | 0 | 110.7 | A446 A466 D467 | A446-S464 VanDerWaalsContact O-CA 3.23Å; A446-S464 WeakPolarHBondContact O-CA 3.18Å; S464-A466 PolarHBondContact O-N 3.48Å; S464-D467 WeakPolarHBondContact CA-OD2 3.37Å; S464-D467 VanDerWaalsContact CB-OD2 3.32Å; S464-D467 WeakPolarHBondContact CB-OD2 3.49Å; S464-D467 PolarHBondContact N-OD2 3.24Å; S464-D467 PolarHBondContact O-N 3.32Å; S464-D467 PolarHBondContact OG-N 3.14Å; S464-D467 PolarHBondContact OG-OD2 3.35Å |
| 465 | I | 89.9 | Confident | 91.3 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.6 | 174.8 | -62.3 | 173.7 | 0 | 0 | 0 | 111.6 | A446 I468 V473 | A446-I465 PolarHBondContact O-N 3.47Å; A446-I465 VanDerWaalsContact O-N 3.1Å; I465-I468 WeakPolarHBondContact O-CG1 3.27Å; I465-V473 HydrophobicContact CG2-CB 4.45Å |
| 466 | A | 88.4 | Confident | 91.1 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 66% | 0.661 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S464 I468 | S464-A466 PolarHBondContact O-N 3.48Å; A466-I468 VanDerWaalsContact C-N 3.34Å; A466-I468 PolarHBondContact O-N 3.27Å |
| 467 | D | 89.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -18.6 | -175 | -63.4 | -51.5 | 0 | 0 | 0 | 113.7 | K452 Q463 S464 | K452-D467 WeakPolarHBondContact CE-OD2 3.15Å; K452-D467 IonicContact NZ-OD1 3.81Å; K452-D467 PolarHBondContact NZ-OD1 2.92Å; K452-D467 IonicContact NZ-OD2 2.68Å; K452-D467 PolarHBondContact NZ-OD2 3.07Å; Q463-D467 HydrophobicContact CB-CB 4.26Å; S464-D467 WeakPolarHBondContact CA-OD2 3.37Å; S464-D467 VanDerWaalsContact CB-OD2 3.32Å; S464-D467 WeakPolarHBondContact CB-OD2 3.49Å; S464-D467 PolarHBondContact N-OD2 3.24Å; S464-D467 PolarHBondContact O-N 3.32Å; S464-D467 PolarHBondContact OG-N 3.14Å; S464-D467 PolarHBondContact OG-OD2 3.35Å |
| 468 | I | 89.6 | Confident | 90.6 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.4 | -170.8 | 55.8 | 170.2 | 0 | 0 | 0 | 113.9 | L445 Q463 I465 A466 I471 V473 | L445-I468 HydrophobicContact CD1-CD1 3.7Å; L445-I468 HydrophobicContact CD2-CD1 4.43Å; L445-I468 HydrophobicContact CD2-CG2 4.17Å; Q463-I468 HydrophobicContact CB-CG2 3.82Å; Q463-I468 HydrophobicContact CG-CG2 4.39Å; I465-I468 WeakPolarHBondContact O-CG1 3.27Å; A466-I468 VanDerWaalsContact C-N 3.34Å; A466-I468 PolarHBondContact O-N 3.27Å; I468-I471 WeakPolarHBondContact O-CB 3.32Å; I468-I471 PolarHBondContact O-N 3.09Å; I468-V473 HydrophobicContact CD1-CB 4.48Å; I468-V473 HydrophobicContact CD1-CG2 3.18Å |
| 469 | H | 83.9 | Confident | 90.6 | Very high | 152 Ų | 152 | 41 Ų | 41 | 70% | 0.704 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.7 | 173.2 | -169.5 | 76.9 | 0 | 0 | 0 | 110.2 | ||
| 470 | P | 86.7 | Confident | 90.6 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 60% | 0.597 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90.1 | 7.1 | 19.6 | 36.6 | -37.8 | 0 | 0 | 0 | 116.3 | Q472 | P470-Q472 PolarHBondContact O-N 3.44Š|
| 471 | I | 91.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -75.5 | 123.6 | 177.6 | -52.9 | 167 | 0 | 0 | 0 | 109.1 | I468 I517 T519 L604 L608 | I468-I471 WeakPolarHBondContact O-CB 3.32Å; I468-I471 PolarHBondContact O-N 3.09Å; I471-I517 WeakPolarHBondContact CA-O 3.46Å; I471-I517 HydrophobicContact CG1-CB 4.38Å; I471-I517 HydrophobicContact CG2-CB 4.37Å; I471-I517 HydrophobicContact CG2-CG2 4.04Å; I471-T519 HydrophobicContact CG2-CG2 4.34Å; I471-L604 HydrophobicContact CB-CD2 4.26Å; I471-L604 HydrophobicContact CD1-CB 4.48Å; I471-L604 HydrophobicContact CD1-CD2 3.8Å; I471-L604 HydrophobicContact CD1-CG 3.95Å; I471-L604 HydrophobicContact CG2-CD2 3.65Å; I471-L608 HydrophobicContact CD1-CD1 4.27Å; I471-L608 HydrophobicContact CD1-CD2 3.9Å |
| 472 | Q | 91.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 34.9 Ų | 34.9 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131 | 177.2 | -62.2 | -155.8 | 19.7 | 0 | 0 | 110.8 | P470 I517 F518 T519 D661 | P470-Q472 PolarHBondContact O-N 3.44Å; Q472-I517 PolarHBondContact N-O 3.01Å; Q472-F518 HydrophobicContact CB-CD1 3.62Å; Q472-F518 HydrophobicContact CB-CE1 3.66Å; Q472-F518 HydrophobicContact CB-CG 4.22Å; Q472-F518 HydrophobicContact CB-CZ 4.28Å; Q472-F518 VanDerWaalsContact CD-CE1 3.48Å; Q472-F518 HydrophobicContact CG-CD1 4.4Å; Q472-F518 HydrophobicContact CG-CE1 3.99Å; Q472-F518 HydrophobicContact CG-CZ 4.17Å; Q472-F518 CarbonylContact O-C 3.52Å; Q472-F518 WeakPolarHBondContact O-CA 3.44Å; Q472-T519 PolarHBondContact O-N 3.29Å; Q472-D661 PolarHBondContact NE2-OD1 3.05Å |
| 473 | V | 92.9 | Very high | 90.5 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 13% | 0.127 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.9 | 171.1 | -180 | 0 | 0 | 0 | 0 | 108.4 | L445 I465 I468 T519 T521 T563 | L445-V473 HydrophobicContact CD1-CG2 3.75Å; I465-V473 HydrophobicContact CG2-CB 4.45Å; I468-V473 HydrophobicContact CD1-CB 4.48Å; I468-V473 HydrophobicContact CD1-CG2 3.18Å; V473-T519 WeakPolarHBondContact CA-O 3.48Å; V473-T519 HydrophobicContact CB-CG2 4.25Å; V473-T519 HydrophobicContact CG1-CG2 4.42Å; V473-T519 HydrophobicContact CG2-CG2 3.57Å; V473-T521 HydrophobicContact CG1-CG2 3.72Å; V473-T563 HydrophobicContact CG1-CG2 4.24Å; V473-T563 HydrophobicContact CG2-CG2 4.47Å |
| 474 | Q | 93.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.3 | 178.6 | -63.5 | -61.8 | -17.2 | 0 | 0 | 111 | I478 F518 T519 F520 T521 | Q474-I478 HydrophobicContact CB-CB 4.35Å; Q474-F518 HydrophobicContact CG-CD1 4.06Å; Q474-F518 HydrophobicContact CG-CE1 4.33Å; Q474-T519 PolarHBondContact N-O 2.87Å; Q474-F520 HydrophobicContact CB-CD1 3.74Å; Q474-F520 HydrophobicContact CB-CE1 3.62Å; Q474-F520 HydrophobicContact CG-CE1 4.43Å; Q474-F520 CarbonylContact O-C 3.55Å; Q474-F520 WeakPolarHBondContact O-CA 3.15Å; Q474-T521 PolarHBondContact O-N 3.46Å |
| 475 | P | 91.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 147.7 | 173.3 | -22.6 | 35 | 0 | 0 | 0 | 112.3 | R477 I478 L668 | P475-R477 HydrophobicContact CB-CG 4.1Å; P475-R477 PolarHBondContact O-N 3.05Å; P475-I478 WeakPolarHBondContact O-CB 3.38Å; P475-I478 PolarHBondContact O-N 3.33Å; P475-L668 HydrophobicContact CG-CD2 4.27Å |
| 476 | G | 89.8 | Confident | 90.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.8 | -30.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I478 L479 S480 T521 | G476-I478 VanDerWaalsContact C-N 3.26Å; G476-I478 PolarHBondContact O-N 2.78Å; G476-L479 WeakPolarHBondContact O-CB 3.42Å; G476-L479 PolarHBondContact O-N 2.97Å; G476-L479 VanDerWaalsContact O-N 3.15Å; G476-S480 PolarHBondContact O-N 2.99Å; G476-T521 WeakPolarHBondContact CA-O 2.99Å; G476-T521 PolarHBondContact N-O 3.27Å |
| 477 | R | 87 | Confident | 90.5 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -33.6 | 174.9 | 69 | -179.4 | -179.9 | -91.3 | 6.8 | 113.7 | P475 L479 S480 H481 D526 T671 | P475-R477 HydrophobicContact CB-CG 4.1Å; P475-R477 PolarHBondContact O-N 3.05Å; R477-L479 VanDerWaalsContact C-N 3.3Å; R477-L479 PolarHBondContact O-N 3.47Å; R477-S480 WeakPolarHBondContact O-CB 3.32Å; R477-S480 PolarHBondContact O-N 3.16Å; R477-H481 PolarHBondContact O-CD2 3.18Å; R477-H481 VanDerWaalsContact O-CD2 3.29Å; R477-H481 PolarHBondContact O-N 2.89Å; R477-D526 WeakPolarHBondContact CD-OD2 3.23Å; R477-D526 IonicContact CZ-OD2 3.23Å; R477-D526 IonicContact NE-OD2 2.77Å; R477-D526 VanDerWaalsContact NH1-CG 3.29Å; R477-D526 IonicContact NH1-OD1 2.98Å; R477-D526 PolarHBondContact NH1-OD1 2.69Å; R477-D526 IonicContact NH1-OD2 2.82Å; R477-D526 PolarHBondContact NH1-OD2 3.21Å; R477-T671 PolarHBondContact NH2-OG1 3.26Å |
| 478 | I | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.4 | -37.5 | 180 | -58.4 | -58.9 | 0 | 0 | 0 | 109.8 | Q474 P475 G476 S480 H481 I482 F520 I664 L667 L668 | Q474-I478 HydrophobicContact CB-CB 4.35Å; P475-I478 WeakPolarHBondContact O-CB 3.38Å; P475-I478 PolarHBondContact O-N 3.33Å; G476-I478 VanDerWaalsContact C-N 3.26Å; G476-I478 PolarHBondContact O-N 2.78Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.97Å; I478-H481 PolarHBondContact O-N 2.95Å; I478-I482 HydrophobicContact CG2-CD1 4.08Å; I478-I482 WeakPolarHBondContact O-CG1 3.23Å; I478-I482 PolarHBondContact O-N 3.34Å; I478-F520 HydrophobicContact CB-CE1 4.28Å; I478-F520 HydrophobicContact CG2-CE1 4.36Å; I478-I664 HydrophobicContact CG2-CG1 4.08Å; I478-I664 HydrophobicContact CG2-CG2 4.33Å; I478-L667 HydrophobicContact CD1-CB 3.71Å; I478-L667 HydrophobicContact CD1-CD1 4.08Å; I478-L668 HydrophobicContact CD1-CD2 4.17Å; I478-L668 HydrophobicContact CD1-CG 4.43Å; I478-L668 HydrophobicContact CG1-CD2 4.36Å |
| 479 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 174.2 | -170.4 | 57.9 | 0 | 0 | 0 | 111.6 | G476 R477 H481 I482 Y483 I502 Y511 F520 | G476-L479 WeakPolarHBondContact O-CB 3.42Å; G476-L479 PolarHBondContact O-N 2.97Å; G476-L479 VanDerWaalsContact O-N 3.15Å; R477-L479 VanDerWaalsContact C-N 3.3Å; R477-L479 PolarHBondContact O-N 3.47Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.49Å; L479-I482 WeakPolarHBondContact O-CB 3.26Å; L479-I482 PolarHBondContact O-N 3.25Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.69Å; L479-Y483 HydrophobicContact CG-CD2 3.97Å; L479-Y483 HydrophobicContact CG-CE2 4.09Å; L479-Y483 PolarHBondContact O-N 2.98Å; L479-I502 HydrophobicContact CB-CD1 4.17Å; L479-I502 HydrophobicContact CD2-CD1 4.02Å; L479-I502 HydrophobicContact CD2-CG2 3.95Å; L479-I502 HydrophobicContact CG-CD1 3.59Å; L479-Y511 HydrophobicContact CD1-CD1 4.2Å; L479-Y511 HydrophobicContact CD1-CD2 4.45Å; L479-Y511 HydrophobicContact CD1-CE1 3.94Å; L479-Y511 HydrophobicContact CD1-CE2 4.19Å; L479-Y511 HydrophobicContact CD1-CG 4.45Å; L479-Y511 HydrophobicContact CD2-CE1 4.48Å; L479-Y511 HydrophobicContact CD2-CE2 3.75Å; L479-F520 HydrophobicContact CB-CD1 3.68Å; L479-F520 HydrophobicContact CB-CD2 4.24Å; L479-F520 HydrophobicContact CB-CE1 3.79Å; L479-F520 HydrophobicContact CB-CE2 4.36Å; L479-F520 HydrophobicContact CB-CG 3.91Å; L479-F520 HydrophobicContact CB-CZ 4.14Å; L479-F520 HydrophobicContact CD1-CD2 3.97Å; L479-F520 HydrophobicContact CD1-CE1 4.31Å; L479-F520 HydrophobicContact CD1-CE2 3.59Å; L479-F520 HydrophobicContact CD1-CG 4.5Å; L479-F520 HydrophobicContact CD1-CZ 3.77Å; L479-F520 HydrophobicContact CD2-CB 4.35Å; L479-F520 HydrophobicContact CD2-CD2 3.91Å; L479-F520 HydrophobicContact CD2-CE2 4.41Å; L479-F520 HydrophobicContact CD2-CG 4.06Å; L479-F520 HydrophobicContact CG-CD2 4.25Å; L479-F520 HydrophobicContact CG-CE2 4.31Å; L479-F520 HydrophobicContact CG-CG 4.36Å; L479-F520 HydrophobicContact CG-CZ 4.46Å |
| 480 | S | 90.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.9 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | G476 R477 I478 A484 R500 H501 I502 | G476-S480 PolarHBondContact O-N 2.99Å; R477-S480 WeakPolarHBondContact O-CB 3.32Å; R477-S480 PolarHBondContact O-N 3.16Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.97Å; S480-A484 PolarHBondContact O-N 3.17Å; S480-A484 VanDerWaalsContact O-N 3.08Å; S480-R500 WeakPolarHBondContact CB-O 3.31Å; S480-R500 PolarHBondContact OG-O 3.42Å; S480-R500 VanDerWaalsContact OG-O 3.08Å; S480-H501 WeakPolarHBondContact OG-CA 3.34Å; S480-I502 PolarHBondContact OG-N 3.21Å |
| 481 | H | 89.4 | Confident | 91.3 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.1 | -34.7 | 174.6 | -77.8 | -70.3 | 0 | 0 | 0 | 113.4 | R477 I478 L479 Y499 L667 | R477-H481 PolarHBondContact O-CD2 3.18Å; R477-H481 VanDerWaalsContact O-CD2 3.29Å; R477-H481 PolarHBondContact O-N 2.89Å; I478-H481 PolarHBondContact O-N 2.95Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.49Å; H481-Y499 AromaticContact CD2-CE2 3.81Å; H481-Y499 AromaticContact CE1-CD2 3.95Å; H481-Y499 AromaticContact CE1-CE2 3.53Å; H481-Y499 AromaticContact CG-CE2 3.9Å; H481-Y499 AromaticContact ND1-CD2 3.91Å; H481-Y499 AromaticContact ND1-CE2 3.73Å; H481-Y499 AromaticContact NE2-CE2 3.58Å; H481-L667 HydrophobicContact CB-CD1 3.69Å |
| 482 | I | 91.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -51.2 | 174.6 | -75.4 | 164.8 | 0 | 0 | 0 | 110.2 | I478 L479 A484 K485 I513 F520 L616 F618 L619 | I478-I482 HydrophobicContact CG2-CD1 4.08Å; I478-I482 WeakPolarHBondContact O-CG1 3.23Å; I478-I482 PolarHBondContact O-N 3.34Å; L479-I482 WeakPolarHBondContact O-CB 3.26Å; L479-I482 PolarHBondContact O-N 3.25Å; I482-A484 PolarHBondContact O-N 3.27Å; I482-K485 WeakPolarHBondContact O-CB 3.44Å; I482-K485 PolarHBondContact O-N 3.49Å; I482-K485 VanDerWaalsContact O-N 3.1Å; I482-I513 HydrophobicContact CD1-CD1 4.08Å; I482-F520 HydrophobicContact CD1-CE1 4.41Å; I482-F520 HydrophobicContact CD1-CZ 4.07Å; I482-L616 HydrophobicContact CG2-CD1 3.71Å; I482-F618 HydrophobicContact CG2-CE2 4.49Å; I482-F618 HydrophobicContact CG2-CZ 4.13Å; I482-L619 HydrophobicContact CG2-CD1 3.71Å |
| 483 | Y | 92.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -23.5 | 179.7 | -92.2 | -85 | 0 | 0 | 0 | 113.2 | L231 L479 K485 L486 R497 I502 Y511 L616 | L231-Y483 HydrophobicContact CD2-CD1 4.21Å; L231-Y483 HydrophobicContact CD2-CD2 4.43Å; L231-Y483 HydrophobicContact CD2-CE1 3.89Å; L231-Y483 HydrophobicContact CD2-CE2 4.1Å; L231-Y483 HydrophobicContact CD2-CG 4.47Å; L231-Y483 HydrophobicContact CG-CE1 4.48Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.69Å; L479-Y483 HydrophobicContact CG-CD2 3.97Å; L479-Y483 HydrophobicContact CG-CE2 4.09Å; L479-Y483 PolarHBondContact O-N 2.98Å; Y483-K485 PolarHBondContact O-N 3.45Å; Y483-L486 HydrophobicContact CD1-CB 4.48Å; Y483-L486 HydrophobicContact CD1-CD2 3.8Å; Y483-L486 HydrophobicContact CE1-CD2 3.99Å; Y483-L486 WeakPolarHBondContact O-CB 3.15Å; Y483-L486 PolarHBondContact O-N 2.81Å; Y483-R497 WeakPolarHBondContact O-CB 3.34Å; Y483-I502 HydrophobicContact CD2-CD1 3.46Å; Y483-I502 VanDerWaalsContact CD2-CD1 3.46Å; Y483-I502 HydrophobicContact CE2-CD1 4.14Å; Y483-I502 HydrophobicContact CG-CD1 3.97Å; Y483-Y511 AromaticContact CE2-CE1 3.92Å; Y483-Y511 HydrophobicContact CE2-CE1 3.92Å; Y483-L616 HydrophobicContact CE2-CD1 4.49Å; Y483-L616 HydrophobicContact CE2-CD2 4.37Å |
| 484 | A | 91.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 34 Ų | 34 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S480 I482 R497 | S480-A484 PolarHBondContact O-N 3.17Å; S480-A484 VanDerWaalsContact O-N 3.08Å; I482-A484 PolarHBondContact O-N 3.27Å; A484-R497 WeakPolarHBondContact CA-O 3.4Å |
| 485 | K | 89.8 | Confident | 91.6 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 27% | 0.27 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -15.6 | 175.2 | -58.2 | -63.4 | -174.8 | 173.3 | 0 | 113.4 | I482 Y483 G487 R488 F618 | I482-K485 WeakPolarHBondContact O-CB 3.44Å; I482-K485 PolarHBondContact O-N 3.49Å; I482-K485 VanDerWaalsContact O-N 3.1Å; Y483-K485 PolarHBondContact O-N 3.45Å; K485-G487 PolarHBondContact O-N 3.49Å; K485-R488 WeakPolarHBondContact O-CB 3.44Å; K485-R488 PolarHBondContact O-N 2.9Å; K485-F618 HydrophobicContact CB-CE2 4.31Å |
| 486 | L | 92.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 131.1 | -178.3 | 178.9 | 65.8 | 0 | 0 | 0 | 110.8 | Q166 F170 H229 Y483 R488 G496 R497 F618 | Q166-L486 HydrophobicContact CG-CD1 4.22Å; Q166-L486 HydrophobicContact CG-CD2 4.36Å; Q166-L486 HydrophobicContact CG-CG 3.93Å; F170-L486 HydrophobicContact CE1-CD2 4.23Å; F170-L486 WeakPolarHBondContact CE2-O 3.23Å; F170-L486 HydrophobicContact CZ-CB 4.28Å; F170-L486 HydrophobicContact CZ-CD2 3.88Å; F170-L486 HydrophobicContact CZ-CG 3.91Å; H229-L486 HydrophobicContact CB-CD2 3.94Å; Y483-L486 HydrophobicContact CD1-CB 4.48Å; Y483-L486 HydrophobicContact CD1-CD2 3.8Å; Y483-L486 HydrophobicContact CE1-CD2 3.99Å; Y483-L486 WeakPolarHBondContact O-CB 3.15Å; Y483-L486 PolarHBondContact O-N 2.81Å; L486-R488 VanDerWaalsContact C-N 3.31Å; L486-R488 PolarHBondContact O-N 2.89Å; L486-G496 CarbonylContact O-C 3.53Å; L486-G496 WeakPolarHBondContact O-CA 3.38Å; L486-R497 PolarHBondContact O-N 2.78Å; L486-F618 HydrophobicContact CB-CE1 4.33Å; L486-F618 HydrophobicContact CB-CE2 4.25Å; L486-F618 HydrophobicContact CB-CZ 4.08Å; L486-F618 HydrophobicContact CD1-CD1 3.6Å; L486-F618 HydrophobicContact CD1-CE1 3.77Å; L486-F618 HydrophobicContact CD1-CG 4.04Å; L486-F618 HydrophobicContact CD1-CZ 4.36Å |
| 487 | G | 92.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 7.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | N167 K485 | N167-G487 PolarHBondContact ND2-O 2.69Å; K485-G487 PolarHBondContact O-N 3.49Å |
| 488 | R | 92.6 | Very high | 91.9 | Very high | 57 Ų | 57 | 34.2 Ų | 34.2 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | trans | -63.2 | 136.4 | 173.5 | -169.1 | 175 | -170.6 | -160.2 | 5 | 110.7 | K485 L486 L494 E625 D629 | K485-R488 WeakPolarHBondContact O-CB 3.44Å; K485-R488 PolarHBondContact O-N 2.9Å; L486-R488 VanDerWaalsContact C-N 3.31Å; L486-R488 PolarHBondContact O-N 2.89Å; R488-L494 WeakPolarHBondContact CA-O 3.31Å; R488-E625 WeakPolarHBondContact CD-OE2 3.35Å; R488-E625 IonicContact CZ-OE1 3.77Å; R488-E625 IonicContact NE-OE1 2.68Å; R488-E625 IonicContact NH1-OE1 2.71Å; R488-E625 IonicContact NH1-OE2 3.86Å; R488-D629 IonicContact CZ-OD2 3.07Å; R488-D629 IonicContact NH1-OD2 2.69Å; R488-D629 PolarHBondContact NH1-OD2 2.61Å; R488-D629 IonicContact NH2-OD2 3.84Å; R488-D629 PolarHBondContact NH2-OD2 2.75Å | ||
| 489 | N | 92.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -151.1 | 110.5 | 177.5 | -173.6 | -67 | 0 | 0 | 0 | 111.1 | D160 A163 N491 M492 N493 L494 | D160-N489 PolarHBondContact OD1-ND2 3.29Å; A163-N489 HydrophobicContact CB-CB 3.91Å; N489-N491 WeakPolarHBondContact OD1-CB 3.45Å; N489-N491 PolarHBondContact OD1-N 3.17Å; N489-M492 HydrophobicContact CB-CE 4.02Å; N489-M492 PolarHBondContact O-N 2.83Å; N489-M492 PolarHBondContact OD1-N 2.91Å; N489-N493 PolarHBondContact O-N 3.03Å; N489-L494 HydrophobicContact CB-CB 4.2Å; N489-L494 HydrophobicContact CB-CD1 4.46Å; N489-L494 PolarHBondContact N-O 3.44Å; N489-L494 PolarHBondContact O-N 2.71Å |
| 490 | K | 89.3 | Confident | 91.3 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 46% | 0.461 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -65.4 | -36.9 | 179.8 | -76.4 | 173.7 | 170.1 | 169.8 | 0 | 113.1 | M492 N493 E625 D629 | K490-M492 PolarHBondContact O-N 3.09Å; K490-N493 PolarHBondContact O-N 3.48Å; K490-E625 HydrophobicContact CD-CG 4.22Å; K490-E625 WeakPolarHBondContact CD-OE1 3.44Å; K490-E625 WeakPolarHBondContact CE-OE1 3.37Å; K490-E625 VanDerWaalsContact CG-OE1 3.29Å; K490-E625 WeakPolarHBondContact CG-OE1 3.32Å; K490-E625 IonicContact NZ-OE1 2.72Å; K490-D629 IonicContact NZ-OD1 3.85Å; K490-D629 PolarHBondContact NZ-OD1 3.13Å |
| 491 | N | 90.7 | Very high | 90.9 | Very high | 130 Ų | 130 | 41.5 Ų | 41.5 | 70% | 0.695 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -62.3 | -31.3 | -178.4 | -63.6 | -30.2 | 0 | 0 | 0 | 112.8 | D160 N489 | D160-N491 PolarHBondContact OD1-ND2 3.34Å; N489-N491 WeakPolarHBondContact OD1-CB 3.45Å; N489-N491 PolarHBondContact OD1-N 3.17Å |
| 492 | M | 93.6 | Very high | 90.9 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 14% | 0.143 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -107.8 | 4.7 | -178.5 | -64.7 | -172.5 | -71.7 | 0 | 0 | 114.1 | M93 V96 D160 A163 F164 N489 K490 L494 | M93-M492 HydrophobicContact CE-SD 3.98Å; V96-M492 HydrophobicContact CG2-CB 4.13Å; D160-M492 HydrophobicContact CB-CE 4.04Å; D160-M492 WeakPolarHBondContact O-CE 3.43Å; A163-M492 HydrophobicContact CB-CE 4.26Å; F164-M492 HydrophobicContact CB-CE 4.03Å; F164-M492 HydrophobicContact CB-SD 4.24Å; N489-M492 HydrophobicContact CB-CE 4.02Å; N489-M492 PolarHBondContact O-N 2.83Å; N489-M492 PolarHBondContact OD1-N 2.91Å; K490-M492 PolarHBondContact O-N 3.09Å; M492-L494 VanDerWaalsContact C-N 3.31Å; M492-L494 HydrophobicContact CB-CD1 4.09Å; M492-L494 HydrophobicContact CB-CG 4.09Å; M492-L494 HydrophobicContact CE-CD1 3.71Å; M492-L494 PolarHBondContact O-N 3.12Å; M492-L494 HydrophobicContact SD-CD1 4.41Å |
| 493 | N | 94.8 | Very high | 90.8 | Very high | 137 Ų | 137 | 40.1 Ų | 40.1 | 73% | 0.733 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 41.3 | -173.5 | -57.3 | -44.5 | 0 | 0 | 0 | 113.6 | N489 K490 | N489-N493 PolarHBondContact O-N 3.03Å; K490-N493 PolarHBondContact O-N 3.48Å |
| 494 | L | 95.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -96.5 | 123.8 | 175.6 | -67.5 | 171.6 | 0 | 0 | 0 | 110.2 | V96 E100 F164 N167 R488 N489 M492 G496 | V96-L494 HydrophobicContact CG2-CD1 4.03Å; V96-L494 HydrophobicContact CG2-CD2 3.64Å; V96-L494 HydrophobicContact CG2-CG 3.89Å; E100-L494 HydrophobicContact CB-CD2 4.27Å; E100-L494 WeakPolarHBondContact OE2-CA 3.18Å; F164-L494 HydrophobicContact CD2-CD1 4.5Å; N167-L494 HydrophobicContact CB-CD1 4.27Å; N167-L494 HydrophobicContact CB-CD2 4.32Å; R488-L494 WeakPolarHBondContact CA-O 3.31Å; N489-L494 HydrophobicContact CB-CB 4.2Å; N489-L494 HydrophobicContact CB-CD1 4.46Å; N489-L494 PolarHBondContact N-O 3.44Å; N489-L494 PolarHBondContact O-N 2.71Å; M492-L494 VanDerWaalsContact C-N 3.31Å; M492-L494 HydrophobicContact CB-CD1 4.09Å; M492-L494 HydrophobicContact CB-CG 4.09Å; M492-L494 HydrophobicContact CE-CD1 3.71Å; M492-L494 PolarHBondContact O-N 3.12Å; M492-L494 HydrophobicContact SD-CD1 4.41Å; L494-G496 VanDerWaalsContact C-N 3.33Å; L494-G496 PolarHBondContact O-N 3.44Å |
| 495 | S | 93.8 | Very high | 90.8 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 37% | 0.371 | 20% | 0.202 | S | C | . | . | trans | -76.4 | -17.5 | -177.1 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | E100 K103 | E100-S495 VanDerWaalsContact OE1-CB 3.24Å; E100-S495 WeakPolarHBondContact OE1-CB 3.11Å; E100-S495 PolarHBondContact OE1-OG 3.07Å; E100-S495 PolarHBondContact OE2-N 3.49Å; E100-S495 PolarHBondContact OE2-OG 2.87Å; K103-S495 PolarHBondContact NZ-OG 3.46Å; K103-S495 VanDerWaalsContact NZ-OG 3.14Å | ||
| 496 | G | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 93.3 | -160.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K103 L486 L494 | K103-G496 PolarHBondContact NZ-O 3.48Å; L486-G496 CarbonylContact O-C 3.53Å; L486-G496 WeakPolarHBondContact O-CA 3.38Å; L494-G496 VanDerWaalsContact C-N 3.33Å; L494-G496 PolarHBondContact O-N 3.44Å | ||
| 497 | R | 92.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 2% | 0.023 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -68.9 | 131.1 | -179.7 | -166.6 | -179 | 171.7 | -103.5 | 5.8 | 110.2 | F170 E173 E234 Y483 A484 L486 R500 | F170-R497 HydrophobicContact CD1-CB 4.27Å; F170-R497 HydrophobicContact CD1-CG 3.91Å; F170-R497 HydrophobicContact CD2-CB 4.18Å; F170-R497 HydrophobicContact CE1-CB 3.85Å; F170-R497 HydrophobicContact CE1-CG 3.78Å; F170-R497 HydrophobicContact CE2-CB 3.75Å; F170-R497 HydrophobicContact CE2-CG 4.43Å; F170-R497 HydrophobicContact CG-CB 4.44Å; F170-R497 HydrophobicContact CG-CG 4.31Å; F170-R497 HydrophobicContact CZ-CB 3.57Å; F170-R497 HydrophobicContact CZ-CG 4.06Å; E173-R497 IonicContact OE2-NE 2.68Å; E234-R497 IonicContact OE1-NH2 3.43Å; E234-R497 PolarHBondContact OE1-NH2 2.84Å; Y483-R497 WeakPolarHBondContact O-CB 3.34Å; A484-R497 WeakPolarHBondContact CA-O 3.4Å; L486-R497 PolarHBondContact O-N 2.78Å; R497-R500 PolarHBondContact NH1-O 3.43Å |
| 498 | P | 89.3 | Confident | 91.3 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | trans | -57 | 144.8 | 169.4 | -23.8 | 34.6 | 0 | 0 | 0 | 110.9 | K103 R500 | K103-P498 HydrophobicContact CB-CG 3.8Å; K103-P498 HydrophobicContact CD-CG 4.4Å; P498-R500 PolarHBondContact O-N 3.27Å | ||
| 499 | Y | 86.2 | Confident | 91.4 | Very high | 94 Ų | 94 | 33 Ų | 33 | 37% | 0.369 | 17% | 0.172 | S | C | . | . | trans | -60.1 | 113.7 | 174.9 | -179.4 | -90.2 | 0 | 0 | 0 | 109.8 | H481 | H481-Y499 AromaticContact CD2-CE2 3.81Å; H481-Y499 AromaticContact CE1-CD2 3.95Å; H481-Y499 AromaticContact CE1-CE2 3.53Å; H481-Y499 AromaticContact CG-CE2 3.9Å; H481-Y499 AromaticContact ND1-CD2 3.91Å; H481-Y499 AromaticContact ND1-CE2 3.73Å; H481-Y499 AromaticContact NE2-CE2 3.58Å | ||
| 500 | R | 83.9 | Confident | 91.6 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | trans | -144.5 | 147 | 177.2 | -62.9 | 177.5 | -170.5 | 162.4 | 11.2 | 108.9 | K103 E173 S480 R497 P498 | K103-R500 PolarHBondContact O-NH2 3.24Å; E173-R500 VanDerWaalsContact CD-NH1 3.35Å; E173-R500 IonicContact OE1-CZ 3.49Å; E173-R500 IonicContact OE1-NH1 3.54Å; E173-R500 PolarHBondContact OE1-NH1 3.26Å; E173-R500 IonicContact OE1-NH2 2.69Å; S480-R500 WeakPolarHBondContact CB-O 3.31Å; S480-R500 PolarHBondContact OG-O 3.42Å; S480-R500 VanDerWaalsContact OG-O 3.08Å; R497-R500 PolarHBondContact NH1-O 3.43Å; P498-R500 PolarHBondContact O-N 3.27Å | ||
| 501 | H | 82.2 | Confident | 91.8 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | trans | -60.9 | 154.1 | 178.2 | -70.1 | -73.6 | 0 | 0 | 0 | 111.2 | S480 Q523 E835 | S480-H501 WeakPolarHBondContact OG-CA 3.34Å; H501-Q523 VanDerWaalsContact CB-OE1 3.31Å; H501-Q523 PolarHBondContact ND1-NE2 2.98Å; H501-Q523 PolarHBondContact ND1-OE1 2.99Å; H501-E835 IonicContact CE1-OE1 3.35Å; H501-E835 PolarHBondContact CE1-OE1 3.26Å; H501-E835 IonicContact CE1-OE2 3.2Å; H501-E835 PolarHBondContact CE1-OE2 3.3Å; H501-E835 IonicContact ND1-OE1 3.21Å; H501-E835 IonicContact ND1-OE2 3.64Å; H501-E835 PolarHBondContact ND1-OE2 2.87Å; H501-E835 IonicContact NE2-OE1 3.5Å | ||
| 502 | I | 88.8 | Confident | 91.9 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | trans | -116.9 | 119.9 | 177.7 | -67.4 | 172.4 | 0 | 0 | 0 | 106 | L231 L479 S480 Y483 T507 Q523 | L231-I502 HydrophobicContact CD1-CG1 4.1Å; L231-I502 HydrophobicContact CD2-CD1 4.24Å; L231-I502 HydrophobicContact CD2-CG1 4.31Å; L231-I502 HydrophobicContact CD2-CG2 4.42Å; L479-I502 HydrophobicContact CB-CD1 4.17Å; L479-I502 HydrophobicContact CD2-CD1 4.02Å; L479-I502 HydrophobicContact CD2-CG2 3.95Å; L479-I502 HydrophobicContact CG-CD1 3.59Å; S480-I502 PolarHBondContact OG-N 3.21Å; Y483-I502 HydrophobicContact CD2-CD1 3.46Å; Y483-I502 VanDerWaalsContact CD2-CD1 3.46Å; Y483-I502 HydrophobicContact CE2-CD1 4.14Å; Y483-I502 HydrophobicContact CG-CD1 3.97Å; I502-T507 HydrophobicContact CG2-CG2 4.41Å; I502-Q523 VanDerWaalsContact O-CD 3.23Å; I502-Q523 WeakPolarHBondContact O-CG 3.39Å; I502-Q523 PolarHBondContact O-NE2 3.07Å; I502-Q523 VanDerWaalsContact O-NE2 3.09Å | ||
| 503 | G | 89.4 | Confident | 91.8 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 29% | 0.289 | 11% | 0.112 | S | C | . | . | trans | -73.6 | -174.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D233 L505 G506 T507 | D233-G503 WeakPolarHBondContact OD1-CA 3.32Å; D233-G503 PolarHBondContact OD2-N 3.38Å; G503-L505 PolarHBondContact O-N 3.23Å; G503-G506 PolarHBondContact O-N 2.75Å; G503-T507 PolarHBondContact O-N 3.03Å | ||
| 504 | V | 92.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 16.4 Ų | 16.4 | 5% | 0.048 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.9 | -27 | -172.9 | 77.1 | 0 | 0 | 0 | 0 | 112.9 | D233 G506 T507 S508 E546 Y549 L550 L562 | D233-V504 PolarHBondContact OD1-N 3.03Å; V504-G506 VanDerWaalsContact C-N 3.33Å; V504-T507 WeakPolarHBondContact CA-OG1 3.41Å; V504-T507 PolarHBondContact O-N 3.49Å; V504-T507 PolarHBondContact O-OG1 2.95Å; V504-S508 WeakPolarHBondContact O-CB 3.12Å; V504-S508 PolarHBondContact O-N 2.68Å; V504-S508 PolarHBondContact O-OG 3.36Å; V504-E546 WeakPolarHBondContact CB-OE2 3.14Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.28Å; V504-E546 HydrophobicContact CG2-CB 4.24Å; V504-Y549 HydrophobicContact CG1-CD1 3.61Å; V504-Y549 HydrophobicContact CG1-CE1 4.03Å; V504-L550 HydrophobicContact CG1-CD2 3.82Å; V504-L550 HydrophobicContact CG1-CG 3.97Å; V504-L550 HydrophobicContact CG2-CD1 3.95Å; V504-L550 HydrophobicContact CG2-CD2 4.16Å; V504-L550 HydrophobicContact CG2-CG 4.07Å; V504-L562 HydrophobicContact CG2-CD1 4.16Å |
| 505 | L | 93.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.1 | -64 | 165.4 | 0 | 0 | 0 | 109.9 | P232 D233 E236 G503 Y549 L550 C553 W554 | P232-L505 HydrophobicContact CB-CB 4.01Å; P232-L505 HydrophobicContact CG-CB 3.68Å; D233-L505 VanDerWaalsContact OD1-CB 3.31Å; D233-L505 WeakPolarHBondContact OD1-CB 3.29Å; D233-L505 PolarHBondContact OD1-N 2.73Å; D233-L505 VanDerWaalsContact OD1-N 3.08Å; E236-L505 HydrophobicContact CB-CD1 3.81Å; E236-L505 HydrophobicContact CG-CD1 4.18Å; G503-L505 PolarHBondContact O-N 3.23Å; L505-Y549 HydrophobicContact CD1-CE1 3.93Å; L505-Y549 HydrophobicContact CG-CE1 3.98Å; L505-L550 HydrophobicContact CD2-CD2 3.89Å; L505-C553 HydrophobicContact CD1-CB 4.45Å; L505-C553 HydrophobicContact CD2-CB 4.26Å; L505-W554 HydrophobicContact CD2-CE3 3.96Å; L505-W554 WeakPolarHBondContact O-CZ3 3.29Å |
| 506 | G | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.4 | -45.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D233 G503 V504 S508 Y511 | D233-G506 PolarHBondContact OD2-N 2.91Å; G503-G506 PolarHBondContact O-N 2.75Å; V504-G506 VanDerWaalsContact C-N 3.33Å; G506-S508 VanDerWaalsContact C-N 3.31Å; G506-S508 PolarHBondContact O-N 3.17Å; G506-Y511 WeakPolarHBondContact O-CE2 3.2Å; G506-Y511 PolarHBondContact O-OH 3.45Å |
| 507 | T | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.2 | -23 | -177.1 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | I502 G503 V504 K509 F520 | I502-T507 HydrophobicContact CG2-CG2 4.41Å; G503-T507 PolarHBondContact O-N 3.03Å; V504-T507 WeakPolarHBondContact CA-OG1 3.41Å; V504-T507 PolarHBondContact O-N 3.49Å; V504-T507 PolarHBondContact O-OG1 2.95Å; T507-K509 PolarHBondContact O-N 3.04Å; T507-F520 HydrophobicContact CG2-CB 4.46Å |
| 508 | S | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 22.1 | -178.4 | -53 | 0 | 0 | 0 | 0 | 114.3 | V504 G506 W554 T561 | V504-S508 WeakPolarHBondContact O-CB 3.12Å; V504-S508 PolarHBondContact O-N 2.68Å; V504-S508 PolarHBondContact O-OG 3.36Å; G506-S508 VanDerWaalsContact C-N 3.31Å; G506-S508 PolarHBondContact O-N 3.17Å; S508-W554 WeakPolarHBondContact O-CH2 3.23Å; S508-T561 CarbonylContact C-O 3.53Å; S508-T561 VanDerWaalsContact CA-O 3.26Å; S508-T561 WeakPolarHBondContact CA-O 3.36Å; S508-T561 PolarHBondContact O-N 2.67Å |
| 509 | K | 94.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -105.7 | 158.6 | 174.2 | -52.2 | -173.6 | -170.1 | -164.7 | 0 | 110.5 | T507 Y511 W554 M556 F612 | T507-K509 PolarHBondContact O-N 3.04Å; K509-Y511 HydrophobicContact CB-CD2 4.32Å; K509-Y511 HydrophobicContact CB-CE2 3.71Å; K509-W554 HydrophobicContact CG-CH2 3.95Å; K509-W554 HydrophobicContact CG-CZ3 4.47Å; K509-M556 HydrophobicContact CD-CE 3.84Å; K509-M556 HydrophobicContact CD-SD 4.34Å; K509-M556 VanDerWaalsContact CE-CE 3.45Å; K509-M556 VanDerWaalsContact CE-SD 3.53Å; K509-M556 HydrophobicContact CG-CE 3.91Å; K509-M556 PolarHBondContact NZ-SD 3.47Å; K509-F612 HydrophobicContact CB-CD1 4.22Å; K509-F612 HydrophobicContact CD-CD1 3.82Å; K509-F612 HydrophobicContact CD-CE1 3.85Å; K509-F612 HydrophobicContact CG-CD1 4.03Å |
| 510 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.5 | 162.3 | -60.3 | -177.9 | 0 | 0 | 0 | 109.5 | I517 L604 L608 F612 Y613 T614 | L510-I517 HydrophobicContact CB-CG2 4.37Å; L510-L604 HydrophobicContact CD2-CD1 4.32Å; L510-L608 HydrophobicContact CD1-CD2 3.76Å; L510-F612 PolarHBondContact N-O 3.12Å; L510-Y613 HydrophobicContact CB-CD1 3.75Å; L510-Y613 HydrophobicContact CB-CE1 3.76Å; L510-Y613 HydrophobicContact CB-CG 4.28Å; L510-Y613 HydrophobicContact CD1-CE1 3.77Å; L510-Y613 HydrophobicContact CD1-CE2 4.08Å; L510-Y613 HydrophobicContact CG-CE1 4.44Å; L510-Y613 CarbonylContact O-C 3.57Å; L510-Y613 VanDerWaalsContact O-CA 3.29Å; L510-Y613 WeakPolarHBondContact O-CA 3.49Å; L510-T614 PolarHBondContact O-N 3.09Å |
| 511 | Y | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.4 | -178 | -69.9 | -92.5 | 0 | 0 | 0 | 109.7 | L479 Y483 G506 K509 I517 F518 F520 T614 L616 | L479-Y511 HydrophobicContact CD1-CD1 4.2Å; L479-Y511 HydrophobicContact CD1-CD2 4.45Å; L479-Y511 HydrophobicContact CD1-CE1 3.94Å; L479-Y511 HydrophobicContact CD1-CE2 4.19Å; L479-Y511 HydrophobicContact CD1-CG 4.45Å; L479-Y511 HydrophobicContact CD2-CE1 4.48Å; L479-Y511 HydrophobicContact CD2-CE2 3.75Å; Y483-Y511 AromaticContact CE2-CE1 3.92Å; Y483-Y511 HydrophobicContact CE2-CE1 3.92Å; G506-Y511 WeakPolarHBondContact O-CE2 3.2Å; G506-Y511 PolarHBondContact O-OH 3.45Å; K509-Y511 HydrophobicContact CB-CD2 4.32Å; K509-Y511 HydrophobicContact CB-CE2 3.71Å; Y511-I517 CarbonylContact O-C 3.48Å; Y511-I517 WeakPolarHBondContact O-CA 3.11Å; Y511-F518 PolarHBondContact N-O 3.27Å; Y511-F518 PolarHBondContact O-N 3.01Å; Y511-F520 AromaticContact CD2-CD2 3.48Å; Y511-F520 HydrophobicContact CD2-CD2 3.48Å; Y511-F520 VanDerWaalsContact CD2-CD2 3.48Å; Y511-F520 AromaticContact CD2-CE2 3.52Å; Y511-F520 HydrophobicContact CD2-CE2 3.52Å; Y511-F520 AromaticContact CE2-CD2 3.81Å; Y511-F520 HydrophobicContact CE2-CD2 3.81Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.29Å; Y511-F520 AromaticContact CG-CE2 3.85Å; Y511-F520 HydrophobicContact CG-CE2 3.85Å; Y511-T614 CarbonylContact C-O 3.43Å; Y511-T614 WeakPolarHBondContact CA-O 3.42Å; Y511-T614 HydrophobicContact CD1-CG2 3.56Å; Y511-T614 HydrophobicContact CE1-CG2 3.61Å; Y511-L616 HydrophobicContact CD1-CD1 3.7Å; Y511-L616 HydrophobicContact CD1-CD2 4.05Å; Y511-L616 HydrophobicContact CD1-CG 3.89Å; Y511-L616 HydrophobicContact CE1-CD1 4.35Å; Y511-L616 HydrophobicContact CE1-CD2 4.32Å |
| 512 | V | 93.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 18.6 Ų | 18.6 | 10% | 0.103 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.4 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | Q516 Y613 T614 Y615 L616 | V512-Q516 WeakPolarHBondContact CA-O 3.24Å; V512-Y613 HydrophobicContact CG2-CD1 3.74Å; V512-Y613 HydrophobicContact CG2-CE1 4.38Å; V512-T614 PolarHBondContact N-O 3.38Å; V512-Y615 HydrophobicContact CB-CD1 3.62Å; V512-Y615 HydrophobicContact CB-CE1 3.82Å; V512-Y615 HydrophobicContact CB-CG 4.3Å; V512-Y615 HydrophobicContact CG1-CD1 3.89Å; V512-Y615 HydrophobicContact CG1-CE1 3.93Å; V512-Y615 HydrophobicContact CG2-CD1 4.1Å; V512-Y615 HydrophobicContact CG2-CE1 3.85Å; V512-L616 PolarHBondContact O-N 3.02Å |
| 513 | I | 90.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.6 | 179.3 | -43.1 | 179.9 | 0 | 0 | 0 | 107.2 | I482 N515 Q516 F518 L616 L619 L660 | I482-I513 HydrophobicContact CD1-CD1 4.08Å; I513-N515 PolarHBondContact O-N 3Å; I513-N515 VanDerWaalsContact O-N 3.09Å; I513-Q516 PolarHBondContact N-O 3.01Å; I513-Q516 PolarHBondContact O-N 3.42Å; I513-F518 HydrophobicContact CB-CD2 3.96Å; I513-F518 HydrophobicContact CB-CE2 3.83Å; I513-F518 HydrophobicContact CD1-CD2 3.83Å; I513-F518 HydrophobicContact CD1-CE2 4.15Å; I513-F518 HydrophobicContact CD1-CG 4.12Å; I513-F518 HydrophobicContact CG1-CD2 3.82Å; I513-F518 HydrophobicContact CG1-CE2 4.16Å; I513-L616 HydrophobicContact CD1-CD1 3.91Å; I513-L616 HydrophobicContact CG1-CB 4.2Å; I513-L616 HydrophobicContact CG1-CD1 4.09Å; I513-L616 HydrophobicContact CG1-CG 4.37Å; I513-L619 HydrophobicContact CD1-CD1 4.38Å; I513-L619 HydrophobicContact CG2-CB 4.06Å; I513-L619 HydrophobicContact CG2-CD1 3.62Å; I513-L619 HydrophobicContact CG2-CG 4.5Å; I513-L660 HydrophobicContact CB-CD2 4.33Å; I513-L660 HydrophobicContact CG2-CD2 3.51Å |
| 514 | R | 85.4 | Confident | 92.3 | Very high | 50 Ų | 50 | 19.9 Ų | 19.9 | 19% | 0.189 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 40.6 | -178.2 | -61.4 | -179.6 | 179.9 | -164 | -3.6 | 113.5 | Q516 L619 D658 | R514-Q516 PolarHBondContact O-N 2.97Å; R514-L619 PolarHBondContact NE-O 2.94Å; R514-L619 PolarHBondContact NH2-O 3.17Å; R514-D658 IonicContact CZ-OD1 2.81Å; R514-D658 IonicContact NH1-OD1 3.37Å; R514-D658 PolarHBondContact NH1-OD1 2.91Å; R514-D658 IonicContact NH1-OD2 3.67Å |
| 515 | N | 85.6 | Confident | 92.1 | Very high | 155 Ų | 155 | 20.1 Ų | 20.1 | 83% | 0.829 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 13.6 | -177.9 | -155.8 | 55.5 | 0 | 0 | 0 | 115.7 | I513 | I513-N515 PolarHBondContact O-N 3Å; I513-N515 VanDerWaalsContact O-N 3.09Å |
| 516 | Q | 90.6 | Very high | 91.5 | Very high | 65 Ų | 65 | 20.6 Ų | 20.6 | 30% | 0.304 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 148.1 | 169.4 | -60.3 | -173.6 | 17.1 | 0 | 0 | 110.5 | V512 I513 R514 F518 | V512-Q516 WeakPolarHBondContact CA-O 3.24Å; I513-Q516 PolarHBondContact N-O 3.01Å; I513-Q516 PolarHBondContact O-N 3.42Å; R514-Q516 PolarHBondContact O-N 2.97Å; Q516-F518 HydrophobicContact CB-CD2 4.46Å; Q516-F518 HydrophobicContact CB-CE2 3.85Å |
| 517 | I | 94.1 | Very high | 90.6 | Very high | 42 Ų | 42 | 23 Ų | 23 | 22% | 0.215 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.4 | 179.7 | -57.3 | 174 | 0 | 0 | 0 | 108.9 | I471 Q472 L510 Y511 L608 Y613 | I471-I517 WeakPolarHBondContact CA-O 3.46Å; I471-I517 HydrophobicContact CG1-CB 4.38Å; I471-I517 HydrophobicContact CG2-CB 4.37Å; I471-I517 HydrophobicContact CG2-CG2 4.04Å; Q472-I517 PolarHBondContact N-O 3.01Å; L510-I517 HydrophobicContact CB-CG2 4.37Å; Y511-I517 CarbonylContact O-C 3.48Å; Y511-I517 WeakPolarHBondContact O-CA 3.11Å; I517-L608 HydrophobicContact CD1-CD2 4.34Å; I517-Y613 HydrophobicContact CD1-CE1 4.25Å; I517-Y613 HydrophobicContact CG2-CE1 4.43Å |
| 518 | F | 95.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.5 | 174.6 | -70.2 | -102.6 | 0 | 0 | 0 | 110 | Q472 Q474 Y511 I513 Q516 F520 L660 I664 | Q472-F518 HydrophobicContact CB-CD1 3.62Å; Q472-F518 HydrophobicContact CB-CE1 3.66Å; Q472-F518 HydrophobicContact CB-CG 4.22Å; Q472-F518 HydrophobicContact CB-CZ 4.28Å; Q472-F518 VanDerWaalsContact CD-CE1 3.48Å; Q472-F518 HydrophobicContact CG-CD1 4.4Å; Q472-F518 HydrophobicContact CG-CE1 3.99Å; Q472-F518 HydrophobicContact CG-CZ 4.17Å; Q472-F518 CarbonylContact O-C 3.52Å; Q472-F518 WeakPolarHBondContact O-CA 3.44Å; Q474-F518 HydrophobicContact CG-CD1 4.06Å; Q474-F518 HydrophobicContact CG-CE1 4.33Å; Y511-F518 PolarHBondContact N-O 3.27Å; Y511-F518 PolarHBondContact O-N 3.01Å; I513-F518 HydrophobicContact CB-CD2 3.96Å; I513-F518 HydrophobicContact CB-CE2 3.83Å; I513-F518 HydrophobicContact CD1-CD2 3.83Å; I513-F518 HydrophobicContact CD1-CE2 4.15Å; I513-F518 HydrophobicContact CD1-CG 4.12Å; I513-F518 HydrophobicContact CG1-CD2 3.82Å; I513-F518 HydrophobicContact CG1-CE2 4.16Å; Q516-F518 HydrophobicContact CB-CD2 4.46Å; Q516-F518 HydrophobicContact CB-CE2 3.85Å; F518-F520 HydrophobicContact CB-CE2 3.77Å; F518-F520 HydrophobicContact CB-CZ 4.01Å; F518-F520 HydrophobicContact CD1-CZ 4.41Å; F518-L660 HydrophobicContact CZ-CD2 4.46Å; F518-I664 HydrophobicContact CE1-CD1 3.9Å; F518-I664 HydrophobicContact CZ-CD1 4.38Å |
| 519 | T | 95.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.9 | 164.4 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | I471 Q472 V473 Q474 T563 L604 | I471-T519 HydrophobicContact CG2-CG2 4.34Å; Q472-T519 PolarHBondContact O-N 3.29Å; V473-T519 WeakPolarHBondContact CA-O 3.48Å; V473-T519 HydrophobicContact CB-CG2 4.25Å; V473-T519 HydrophobicContact CG1-CG2 4.42Å; V473-T519 HydrophobicContact CG2-CG2 3.57Å; Q474-T519 PolarHBondContact N-O 2.87Å; T519-T563 HydrophobicContact CG2-CG2 4.17Å; T519-T563 PolarHBondContact OG1-OG1 3.1Å; T519-L604 HydrophobicContact CG2-CD2 3.92Å |
| 520 | F | 95.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.8 | -176.2 | -64.1 | -89.1 | 0 | 0 | 0 | 111.2 | Q474 I478 L479 I482 T507 Y511 F518 | Q474-F520 HydrophobicContact CB-CD1 3.74Å; Q474-F520 HydrophobicContact CB-CE1 3.62Å; Q474-F520 HydrophobicContact CG-CE1 4.43Å; Q474-F520 CarbonylContact O-C 3.55Å; Q474-F520 WeakPolarHBondContact O-CA 3.15Å; I478-F520 HydrophobicContact CB-CE1 4.28Å; I478-F520 HydrophobicContact CG2-CE1 4.36Å; L479-F520 HydrophobicContact CB-CD1 3.68Å; L479-F520 HydrophobicContact CB-CD2 4.24Å; L479-F520 HydrophobicContact CB-CE1 3.79Å; L479-F520 HydrophobicContact CB-CE2 4.36Å; L479-F520 HydrophobicContact CB-CG 3.91Å; L479-F520 HydrophobicContact CB-CZ 4.14Å; L479-F520 HydrophobicContact CD1-CD2 3.97Å; L479-F520 HydrophobicContact CD1-CE1 4.31Å; L479-F520 HydrophobicContact CD1-CE2 3.59Å; L479-F520 HydrophobicContact CD1-CG 4.5Å; L479-F520 HydrophobicContact CD1-CZ 3.77Å; L479-F520 HydrophobicContact CD2-CB 4.35Å; L479-F520 HydrophobicContact CD2-CD2 3.91Å; L479-F520 HydrophobicContact CD2-CE2 4.41Å; L479-F520 HydrophobicContact CD2-CG 4.06Å; L479-F520 HydrophobicContact CG-CD2 4.25Å; L479-F520 HydrophobicContact CG-CE2 4.31Å; L479-F520 HydrophobicContact CG-CG 4.36Å; L479-F520 HydrophobicContact CG-CZ 4.46Å; I482-F520 HydrophobicContact CD1-CE1 4.41Å; I482-F520 HydrophobicContact CD1-CZ 4.07Å; T507-F520 HydrophobicContact CG2-CB 4.46Å; Y511-F520 AromaticContact CD2-CD2 3.48Å; Y511-F520 HydrophobicContact CD2-CD2 3.48Å; Y511-F520 VanDerWaalsContact CD2-CD2 3.48Å; Y511-F520 AromaticContact CD2-CE2 3.52Å; Y511-F520 HydrophobicContact CD2-CE2 3.52Å; Y511-F520 AromaticContact CE2-CD2 3.81Å; Y511-F520 HydrophobicContact CE2-CD2 3.81Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.29Å; Y511-F520 AromaticContact CG-CE2 3.85Å; Y511-F520 HydrophobicContact CG-CE2 3.85Å; F518-F520 HydrophobicContact CB-CE2 3.77Å; F518-F520 HydrophobicContact CB-CZ 4.01Å; F518-F520 HydrophobicContact CD1-CZ 4.41Å |
| 521 | T | 93.7 | Very high | 87.1 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 145.8 | 177.5 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | V473 Q474 G476 T525 P565 | V473-T521 HydrophobicContact CG1-CG2 3.72Å; Q474-T521 PolarHBondContact O-N 3.46Å; G476-T521 WeakPolarHBondContact CA-O 2.99Å; G476-T521 PolarHBondContact N-O 3.27Å; T521-T525 PolarHBondContact OG1-OG1 2.92Å; T521-P565 HydrophobicContact CG2-CG 3.84Å |
| 522 | P | 91.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | trans | -56.3 | 142.7 | 175.8 | -25.7 | 33.8 | 0 | 0 | 0 | 112.2 | F524 T525 L562 T563 | P522-F524 VanDerWaalsContact C-N 3.26Å; P522-F524 HydrophobicContact CB-CD1 3.56Å; P522-F524 HydrophobicContact CB-CE1 3.29Å; P522-F524 HydrophobicContact CB-CG 4.48Å; P522-F524 HydrophobicContact CB-CZ 4.04Å; P522-F524 HydrophobicContact CG-CE1 3.94Å; P522-F524 HydrophobicContact CG-CZ 4.36Å; P522-F524 PolarHBondContact O-N 3.26Å; P522-T525 WeakPolarHBondContact O-CB 3.41Å; P522-T525 PolarHBondContact O-N 2.97Å; P522-T525 PolarHBondContact O-OG1 2.94Å; P522-L562 HydrophobicContact CG-CD1 3.9Å; P522-L562 HydrophobicContact CG-CD2 4.13Å; P522-L562 HydrophobicContact CG-CG 3.76Å; P522-T563 WeakPolarHBondContact CD-O 3.29Å | ||
| 523 | Q | 86.4 | Confident | 86.4 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -60.4 | -32.7 | -175.6 | -66.4 | -156.6 | -11.4 | 0 | 0 | 114 | H501 I502 T525 D526 | H501-Q523 VanDerWaalsContact CB-OE1 3.31Å; H501-Q523 PolarHBondContact ND1-NE2 2.98Å; H501-Q523 PolarHBondContact ND1-OE1 2.99Å; I502-Q523 VanDerWaalsContact O-CD 3.23Å; I502-Q523 WeakPolarHBondContact O-CG 3.39Å; I502-Q523 PolarHBondContact O-NE2 3.07Å; I502-Q523 VanDerWaalsContact O-NE2 3.09Å; Q523-T525 PolarHBondContact O-N 3.04Å; Q523-D526 WeakPolarHBondContact O-CB 3.2Å; Q523-D526 PolarHBondContact O-N 3.4Å |
| 524 | F | 86.5 | Confident | 86.3 | Confident | 32 Ų | 32 | 31 Ų | 31 | 14% | 0.14 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -64.3 | -10.9 | 178.3 | 73.9 | -98.4 | 0 | 0 | 0 | 114.1 | P522 A533 I539 M542 L543 E546 F564 | P522-F524 VanDerWaalsContact C-N 3.26Å; P522-F524 HydrophobicContact CB-CD1 3.56Å; P522-F524 HydrophobicContact CB-CE1 3.29Å; P522-F524 HydrophobicContact CB-CG 4.48Å; P522-F524 HydrophobicContact CB-CZ 4.04Å; P522-F524 HydrophobicContact CG-CE1 3.94Å; P522-F524 HydrophobicContact CG-CZ 4.36Å; P522-F524 PolarHBondContact O-N 3.26Å; F524-A533 WeakPolarHBondContact O-CB 3.39Å; F524-I539 HydrophobicContact CD2-CG2 4.41Å; F524-I539 HydrophobicContact CE2-CG2 4.04Å; F524-M542 HydrophobicContact CB-CB 4.38Å; F524-M542 HydrophobicContact CB-SD 3.77Å; F524-M542 HydrophobicContact CD2-CB 3.87Å; F524-M542 HydrophobicContact CD2-SD 4.32Å; F524-M542 HydrophobicContact CE2-CB 4.31Å; F524-M542 HydrophobicContact CG-CB 4.06Å; F524-M542 HydrophobicContact CG-SD 4.35Å; F524-L543 HydrophobicContact CE2-CB 4.19Å; F524-L543 HydrophobicContact CZ-CB 3.93Å; F524-L543 HydrophobicContact CZ-CD1 4Å; F524-E546 HydrophobicContact CD1-CG 3.91Å; F524-E546 HydrophobicContact CE1-CB 4.23Å; F524-E546 HydrophobicContact CE1-CG 3.86Å; F524-F564 HydrophobicContact CE2-CE2 4.05Å; F524-F564 HydrophobicContact CZ-CD2 4.47Å; F524-F564 HydrophobicContact CZ-CE2 4.34Å |
| 525 | T | 87.3 | Confident | 86.5 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -88.1 | -9 | 174.1 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | T521 P522 Q523 Q527 F564 | T521-T525 PolarHBondContact OG1-OG1 2.92Å; P522-T525 WeakPolarHBondContact O-CB 3.41Å; P522-T525 PolarHBondContact O-N 2.97Å; P522-T525 PolarHBondContact O-OG1 2.94Å; Q523-T525 PolarHBondContact O-N 3.04Å; T525-Q527 PolarHBondContact O-N 3.38Å; T525-F564 HydrophobicContact CG2-CD2 4.02Å; T525-F564 HydrophobicContact CG2-CE2 3.9Å |
| 526 | D | 81.3 | Confident | 86.8 | Confident | 14 Ų | 14 | 22 Ų | 22 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | trans | -81.7 | 107.2 | -176.7 | -164.8 | -19.3 | 0 | 0 | 0 | 111.9 | R477 Q523 H528 H529 | R477-D526 WeakPolarHBondContact CD-OD2 3.23Å; R477-D526 IonicContact CZ-OD2 3.23Å; R477-D526 IonicContact NE-OD2 2.77Å; R477-D526 VanDerWaalsContact NH1-CG 3.29Å; R477-D526 IonicContact NH1-OD1 2.98Å; R477-D526 PolarHBondContact NH1-OD1 2.69Å; R477-D526 IonicContact NH1-OD2 2.82Å; R477-D526 PolarHBondContact NH1-OD2 3.21Å; Q523-D526 WeakPolarHBondContact O-CB 3.2Å; Q523-D526 PolarHBondContact O-N 3.4Å; D526-H528 WeakPolarHBondContact OD1-CB 3.38Å; D526-H528 IonicContact OD1-CD2 2.88Å; D526-H528 PolarHBondContact OD1-CD2 3.02Å; D526-H528 IonicContact OD1-CG 3.23Å; D526-H528 PolarHBondContact OD1-N 3.06Å; D526-H528 VanDerWaalsContact OD1-N 3.13Å; D526-H529 IonicContact OD1-ND1 3.1Å; D526-H529 IonicContact OD2-CE1 3.81Å; D526-H529 IonicContact OD2-ND1 3.39Å | ||
| 527 | Q | 73.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 22.3 Ų | 22.3 | 24% | 0.243 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -14.4 | -175.1 | -62.3 | 171.2 | 4.8 | 0 | 0 | 113.7 | T525 H529 A533 L534 S567 T569 | T525-Q527 PolarHBondContact O-N 3.38Å; Q527-H529 VanDerWaalsContact C-N 3.29Å; Q527-H529 PolarHBondContact O-N 3.34Å; Q527-A533 HydrophobicContact CG-CB 4.14Å; Q527-L534 HydrophobicContact CB-CD2 4.32Å; Q527-L534 HydrophobicContact CG-CD2 4.09Å; Q527-S567 PolarHBondContact NE2-OG 2.89Å; Q527-T569 PolarHBondContact NE2-OG1 3.21Å; Q527-T569 VanDerWaalsContact OE1-CG2 3.27Å |
| 528 | H | 70.2 | Confident | 86.7 | Confident | 87 Ų | 87 | 20.3 Ų | 20.3 | 40% | 0.403 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -30.7 | -173.7 | -69.5 | -84.2 | 0 | 0 | 0 | 112.1 | D526 T671 K832 | D526-H528 WeakPolarHBondContact OD1-CB 3.38Å; D526-H528 IonicContact OD1-CD2 2.88Å; D526-H528 PolarHBondContact OD1-CD2 3.02Å; D526-H528 IonicContact OD1-CG 3.23Å; D526-H528 PolarHBondContact OD1-N 3.06Å; D526-H528 VanDerWaalsContact OD1-N 3.13Å; H528-T671 PolarHBondContact ND1-O 3.46Å; H528-K832 PolarHBondContact O-NZ 3.31Å |
| 529 | H | 68.3 | Low | 86.6 | Confident | 60 Ų | 60 | 20.3 Ų | 20.3 | 28% | 0.278 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -55.6 | -173.1 | -66.5 | 95.3 | 0 | 0 | 0 | 112.3 | D526 Q527 K832 E835 | D526-H529 IonicContact OD1-ND1 3.1Å; D526-H529 IonicContact OD2-CE1 3.81Å; D526-H529 IonicContact OD2-ND1 3.39Å; Q527-H529 VanDerWaalsContact C-N 3.29Å; Q527-H529 PolarHBondContact O-N 3.34Å; H529-K832 PolarHBondContact O-NZ 3.33Å; H529-E835 HydrophobicContact CB-CG 3.84Å; H529-E835 WeakPolarHBondContact CB-OE1 3.44Å; H529-E835 IonicContact CD2-OE1 2.71Å; H529-E835 PolarHBondContact CD2-OE1 3.44Å; H529-E835 IonicContact CE1-OE1 3.76Å; H529-E835 PolarHBondContact CE1-OE1 3.19Å; H529-E835 IonicContact CG-OE1 3.08Å; H529-E835 IonicContact ND1-OE1 2.72Å; H529-E835 PolarHBondContact ND1-OE1 3.34Å; H529-E835 VanDerWaalsContact ND1-OE1 3.14Å; H529-E835 IonicContact NE2-OE1 2.68Å; H529-E835 PolarHBondContact NE2-OE1 2.97Å |
| 530 | F | 83 | Confident | 86.4 | Confident | 11 Ų | 11 | 20.6 Ų | 20.6 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | trans | -145.3 | 148.8 | -172.7 | -155.8 | -93.1 | 0 | 0 | 0 | 113.4 | L532 Y811 K832 V834 V889 | F530-L532 VanDerWaalsContact C-N 3.33Å; F530-L532 HydrophobicContact CD1-CB 4.28Å; F530-L532 HydrophobicContact CD1-CD1 4.01Å; F530-L532 HydrophobicContact CD1-CG 3.63Å; F530-L532 HydrophobicContact CE1-CD1 4.15Å; F530-L532 HydrophobicContact CE1-CD2 4.38Å; F530-L532 HydrophobicContact CE1-CG 3.75Å; F530-L532 PolarHBondContact O-N 2.88Å; F530-Y811 VanDerWaalsContact C-OH 3.31Å; F530-Y811 WeakPolarHBondContact CA-OH 3.46Å; F530-K832 HydrophobicContact CD2-CB 4.4Å; F530-V834 HydrophobicContact CD1-CG2 3.81Å; F530-V834 HydrophobicContact CD2-CB 4.43Å; F530-V834 HydrophobicContact CD2-CG2 3.78Å; F530-V834 HydrophobicContact CE1-CG2 3.54Å; F530-V834 HydrophobicContact CE2-CG2 3.49Å; F530-V834 VanDerWaalsContact CE2-CG2 3.49Å; F530-V834 HydrophobicContact CG-CB 4.46Å; F530-V834 HydrophobicContact CG-CG2 3.93Å; F530-V834 HydrophobicContact CZ-CG2 3.36Å; F530-V889 HydrophobicContact CE2-CG1 4.31Å; F530-V889 HydrophobicContact CZ-CG1 3.84Å | ||
| 531 | Y | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -80.9 | -2.9 | -165.8 | 59.4 | -91.5 | 0 | 0 | 0 | 115.2 | A533 L534 Y811 W820 I823 R824 S827 V889 E893 P948 | Y531-A533 PolarHBondContact O-N 2.74Å; Y531-A533 VanDerWaalsContact O-N 3.13Å; Y531-L534 VanDerWaalsContact O-CB 3.31Å; Y531-L534 WeakPolarHBondContact O-CB 3.45Å; Y531-L534 PolarHBondContact O-N 2.85Å; Y531-Y811 WeakPolarHBondContact CA-OH 3.29Å; Y531-Y811 WeakPolarHBondContact CB-OH 3.31Å; Y531-Y811 HydrophobicContact CD1-CE2 4.05Å; Y531-Y811 PolarHBondContact N-OH 2.78Å; Y531-W820 HydrophobicContact CD2-CE3 4.3Å; Y531-W820 HydrophobicContact CD2-CZ3 4.23Å; Y531-I823 HydrophobicContact CD1-CG2 3.39Å; Y531-I823 HydrophobicContact CD2-CG2 4.02Å; Y531-I823 HydrophobicContact CE1-CG2 3.97Å; Y531-I823 HydrophobicContact CG-CG2 3.4Å; Y531-R824 HydrophobicContact CE2-CG 4.49Å; Y531-R824 VanDerWaalsContact OH-CG 3.28Å; Y531-R824 WeakPolarHBondContact OH-CG 3.27Å; Y531-S827 WeakPolarHBondContact CE1-OG 3.04Å; Y531-V889 HydrophobicContact CE1-CG1 3.95Å; Y531-V889 WeakPolarHBondContact OH-CG1 3.45Å; Y531-E893 PolarHBondContact OH-OE1 3.42Å; Y531-P948 HydrophobicContact CD2-CG 4.34Å; Y531-P948 HydrophobicContact CE2-CG 4.31Å |
| 532 | L | 88 | Confident | 86 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -55.2 | -32.8 | 177.2 | -70.2 | 173.6 | 0 | 0 | 0 | 111.6 | F530 L534 D535 M542 V834 E893 Y897 P948 | F530-L532 VanDerWaalsContact C-N 3.33Å; F530-L532 HydrophobicContact CD1-CB 4.28Å; F530-L532 HydrophobicContact CD1-CD1 4.01Å; F530-L532 HydrophobicContact CD1-CG 3.63Å; F530-L532 HydrophobicContact CE1-CD1 4.15Å; F530-L532 HydrophobicContact CE1-CD2 4.38Å; F530-L532 HydrophobicContact CE1-CG 3.75Å; F530-L532 PolarHBondContact O-N 2.88Å; L532-L534 PolarHBondContact O-N 3.41Å; L532-D535 PolarHBondContact O-N 2.9Å; L532-M542 HydrophobicContact CB-CE 3.75Å; L532-M542 HydrophobicContact CD1-CE 3.88Å; L532-M542 HydrophobicContact CG-CE 4.33Å; L532-V834 HydrophobicContact CD1-CG1 4.29Å; L532-E893 HydrophobicContact CD2-CG 4.29Å; L532-Y897 HydrophobicContact CD2-CE1 4.06Å; L532-Y897 WeakPolarHBondContact CD2-OH 3.18Å; L532-P948 HydrophobicContact CD2-CB 3.74Å; L532-P948 HydrophobicContact CD2-CG 4.06Å |
| 533 | A | 85.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -76 | 4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F524 Q527 Y531 I539 | F524-A533 WeakPolarHBondContact O-CB 3.39Å; Q527-A533 HydrophobicContact CG-CB 4.14Å; Y531-A533 PolarHBondContact O-N 2.74Å; Y531-A533 VanDerWaalsContact O-N 3.13Å; A533-I539 WeakPolarHBondContact O-CD1 3.31Å |
| 534 | L | 87.9 | Confident | 86.4 | Confident | 19 Ų | 19 | 25.2 Ų | 25.2 | 10% | 0.099 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -95.6 | -15.4 | 174.9 | -59.5 | 179.9 | 0 | 0 | 0 | 112.5 | Q527 Y531 L532 T569 G815 W820 | Q527-L534 HydrophobicContact CB-CD2 4.32Å; Q527-L534 HydrophobicContact CG-CD2 4.09Å; Y531-L534 VanDerWaalsContact O-CB 3.31Å; Y531-L534 WeakPolarHBondContact O-CB 3.45Å; Y531-L534 PolarHBondContact O-N 2.85Å; L532-L534 PolarHBondContact O-N 3.41Å; L534-T569 HydrophobicContact CD2-CG2 4.36Å; L534-G815 VanDerWaalsContact CD1-CA 3.45Å; L534-W820 HydrophobicContact CB-CH2 4.19Å; L534-W820 HydrophobicContact CB-CZ3 4.32Å |
| 535 | D | 90.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.064 | 12% | 0.116 | C | C | . | . | trans | -89.9 | 110.4 | 173.1 | 179.8 | -10.6 | 0 | 0 | 0 | 109.5 | L532 E537 M538 I539 W820 S947 P948 F949 | L532-D535 PolarHBondContact O-N 2.9Å; D535-E537 VanDerWaalsContact C-N 3.29Å; D535-E537 PolarHBondContact O-N 3.23Å; D535-E537 PolarHBondContact OD1-N 2.54Å; D535-M538 HydrophobicContact CB-CB 3.74Å; D535-M538 WeakPolarHBondContact O-CB 3.4Å; D535-M538 PolarHBondContact O-N 3.45Å; D535-M538 VanDerWaalsContact O-N 3.13Å; D535-M538 PolarHBondContact OD1-N 3.41Å; D535-I539 WeakPolarHBondContact O-CG1 3.17Å; D535-I539 PolarHBondContact O-N 2.91Å; D535-W820 HydrophobicContact CB-CH2 3.79Å; D535-W820 HydrophobicContact CB-CZ2 4.12Å; D535-S947 WeakPolarHBondContact OD2-CB 3.34Å; D535-P948 HydrophobicContact CB-CB 4.2Å; D535-P948 HydrophobicContact CB-CG 3.98Å; D535-P948 WeakPolarHBondContact OD2-CD 3.46Å; D535-F949 WeakPolarHBondContact OD2-CB 3.21Å; D535-F949 PolarHBondContact OD2-N 3.07Å | ||
| 536 | N | 90.9 | Very high | 86.7 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -32.6 | -176.3 | -71.7 | -36 | 0 | 0 | 0 | 113.2 | V540 T569 M570 H579 V582 | N536-V540 WeakPolarHBondContact O-CG2 3.45Å; N536-V540 PolarHBondContact O-N 3.4Å; N536-T569 PolarHBondContact ND2-O 3.41Å; N536-T569 PolarHBondContact OD1-O 3.4Å; N536-M570 WeakPolarHBondContact OD1-CA 3.45Å; N536-H579 HydrophobicContact CB-CB 4.4Å; N536-V582 HydrophobicContact CB-CG2 4.19Å |
| 537 | E | 92.3 | Very high | 87.3 | Confident | 72 Ų | 72 | 25.1 Ų | 25.1 | 34% | 0.336 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -72 | -39 | 175.5 | -67.5 | -71.7 | 177.1 | 0 | 0 | 110.4 | D535 V540 E541 A581 F949 | D535-E537 VanDerWaalsContact C-N 3.29Å; D535-E537 PolarHBondContact O-N 3.23Å; D535-E537 PolarHBondContact OD1-N 2.54Å; E537-V540 PolarHBondContact O-N 3.37Å; E537-E541 WeakPolarHBondContact O-CB 3.26Å; E537-E541 PolarHBondContact O-N 2.97Å; E537-A581 HydrophobicContact CG-CB 4.27Å; E537-A581 WeakPolarHBondContact OE1-CB 3.31Å; E537-A581 WeakPolarHBondContact OE2-CB 3.41Å; E537-F949 HydrophobicContact CB-CB 3.9Å; E537-F949 HydrophobicContact CB-CD1 3.83Å; E537-F949 HydrophobicContact CB-CD2 3.81Å; E537-F949 HydrophobicContact CB-CE1 4.27Å; E537-F949 HydrophobicContact CB-CE2 4.27Å; E537-F949 HydrophobicContact CB-CG 3.57Å; E537-F949 HydrophobicContact CB-CZ 4.48Å; E537-F949 HydrophobicContact CG-CD1 4.38Å |
| 538 | M | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 175 | -170.8 | 61.5 | -177.5 | 0 | 0 | 112.2 | D535 V540 E541 M542 Y897 M900 P948 F949 K952 | D535-M538 HydrophobicContact CB-CB 3.74Å; D535-M538 WeakPolarHBondContact O-CB 3.4Å; D535-M538 PolarHBondContact O-N 3.45Å; D535-M538 VanDerWaalsContact O-N 3.13Å; D535-M538 PolarHBondContact OD1-N 3.41Å; M538-V540 PolarHBondContact O-N 3.49Å; M538-E541 PolarHBondContact O-N 3.29Å; M538-M542 HydrophobicContact CE-CE 3.39Å; M538-M542 HydrophobicContact CE-CG 4.15Å; M538-M542 HydrophobicContact CE-SD 4.46Å; M538-M542 HydrophobicContact CG-CE 3.98Å; M538-M542 HydrophobicContact CG-CG 4.49Å; M538-M542 HydrophobicContact CG-SD 4.36Å; M538-M542 WeakPolarHBondContact O-CG 3.41Å; M538-M542 PolarHBondContact O-N 3.22Å; M538-Y897 HydrophobicContact CE-CD1 3.85Å; M538-Y897 HydrophobicContact CE-CE1 3.46Å; M538-Y897 VanDerWaalsContact CE-CE1 3.46Å; M538-Y897 HydrophobicContact SD-CE1 4.44Å; M538-M900 HydrophobicContact CE-CE 3.63Å; M538-M900 HydrophobicContact CE-SD 3.62Å; M538-P948 HydrophobicContact CB-CB 4.23Å; M538-P948 HydrophobicContact CG-CB 4.1Å; M538-F949 HydrophobicContact CB-CB 4.38Å; M538-K952 HydrophobicContact CE-CD 4.19Å; M538-K952 HydrophobicContact SD-CD 4.04Å |
| 539 | I | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.5 | -67.8 | 166.1 | 0 | 0 | 0 | 111.1 | F524 A533 D535 E541 M542 L543 F564 M570 | F524-I539 HydrophobicContact CD2-CG2 4.41Å; F524-I539 HydrophobicContact CE2-CG2 4.04Å; A533-I539 WeakPolarHBondContact O-CD1 3.31Å; D535-I539 WeakPolarHBondContact O-CG1 3.17Å; D535-I539 PolarHBondContact O-N 2.91Å; I539-E541 VanDerWaalsContact C-N 3.26Å; I539-E541 PolarHBondContact O-N 3.22Å; I539-M542 PolarHBondContact O-N 3.12Å; I539-L543 WeakPolarHBondContact O-CB 3.4Å; I539-L543 PolarHBondContact O-N 2.88Å; I539-F564 HydrophobicContact CG2-CE2 3.95Å; I539-F564 HydrophobicContact CG2-CZ 3.85Å; I539-M570 HydrophobicContact CD1-CE 4Å; I539-M570 HydrophobicContact CG2-CE 4.22Å |
| 540 | V | 92.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 4% | 0.036 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 177.7 | 161.8 | 0 | 0 | 0 | 0 | 110.9 | N536 E537 M538 R544 A581 V582 T585 F594 | N536-V540 WeakPolarHBondContact O-CG2 3.45Å; N536-V540 PolarHBondContact O-N 3.4Å; E537-V540 PolarHBondContact O-N 3.37Å; M538-V540 PolarHBondContact O-N 3.49Å; V540-R544 WeakPolarHBondContact O-CB 3.39Å; V540-R544 PolarHBondContact O-N 2.97Å; V540-A581 HydrophobicContact CG2-CB 4.43Å; V540-V582 HydrophobicContact CG2-CG2 4.39Å; V540-T585 HydrophobicContact CG1-CG2 4.21Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.3Å; V540-T585 HydrophobicContact CG2-CG2 4.39Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.47Å; V540-F594 HydrophobicContact CG1-CZ 4.31Å |
| 541 | E | 90.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 19.5 Ų | 19.5 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | 178.4 | -176.6 | 62 | -165.5 | 0 | 0 | 112.4 | E537 M538 I539 R544 I545 F949 K952 | E537-E541 WeakPolarHBondContact O-CB 3.26Å; E537-E541 PolarHBondContact O-N 2.97Å; M538-E541 PolarHBondContact O-N 3.29Å; I539-E541 VanDerWaalsContact C-N 3.26Å; I539-E541 PolarHBondContact O-N 3.22Å; E541-R544 WeakPolarHBondContact O-CB 3.19Å; E541-R544 PolarHBondContact O-N 2.69Å; E541-R544 IonicContact OE2-CZ 3.08Å; E541-R544 IonicContact OE2-NE 2.77Å; E541-R544 IonicContact OE2-NH1 3.95Å; E541-R544 PolarHBondContact OE2-NH1 3.22Å; E541-R544 IonicContact OE2-NH2 2.78Å; E541-R544 PolarHBondContact OE2-NH2 3.44Å; E541-I545 HydrophobicContact CG-CD1 4.36Å; E541-I545 WeakPolarHBondContact O-CG1 3.4Å; E541-I545 PolarHBondContact O-N 3.17Å; E541-I545 VanDerWaalsContact O-N 3.09Å; E541-F949 HydrophobicContact CB-CD2 4.5Å; E541-F949 HydrophobicContact CB-CE2 4.43Å; E541-K952 IonicContact OE1-NZ 2.78Å; E541-K952 PolarHBondContact OE1-NZ 2.98Å |
| 542 | M | 90.9 | Very high | 90.5 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 171.5 | -72.2 | 176.6 | 168.6 | 0 | 0 | 110.7 | F524 L532 M538 I539 R544 I545 E546 M900 | F524-M542 HydrophobicContact CB-CB 4.38Å; F524-M542 HydrophobicContact CB-SD 3.77Å; F524-M542 HydrophobicContact CD2-CB 3.87Å; F524-M542 HydrophobicContact CD2-SD 4.32Å; F524-M542 HydrophobicContact CE2-CB 4.31Å; F524-M542 HydrophobicContact CG-CB 4.06Å; F524-M542 HydrophobicContact CG-SD 4.35Å; L532-M542 HydrophobicContact CB-CE 3.75Å; L532-M542 HydrophobicContact CD1-CE 3.88Å; L532-M542 HydrophobicContact CG-CE 4.33Å; M538-M542 HydrophobicContact CE-CE 3.39Å; M538-M542 HydrophobicContact CE-CG 4.15Å; M538-M542 HydrophobicContact CE-SD 4.46Å; M538-M542 HydrophobicContact CG-CE 3.98Å; M538-M542 HydrophobicContact CG-CG 4.49Å; M538-M542 HydrophobicContact CG-SD 4.36Å; M538-M542 WeakPolarHBondContact O-CG 3.41Å; M538-M542 PolarHBondContact O-N 3.22Å; I539-M542 PolarHBondContact O-N 3.12Å; M542-R544 VanDerWaalsContact C-N 3.26Å; M542-R544 PolarHBondContact O-N 3.19Å; M542-I545 PolarHBondContact O-N 2.76Å; M542-I545 VanDerWaalsContact O-N 3.12Å; M542-E546 WeakPolarHBondContact O-CB 3.12Å; M542-E546 WeakPolarHBondContact O-CG 3.44Å; M542-E546 PolarHBondContact O-N 3Å; M542-M900 HydrophobicContact CG-CE 4.17Å |
| 543 | L | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.1 | -41.9 | 175.5 | 177.6 | 64.3 | 0 | 0 | 0 | 111.4 | F524 I539 E546 L547 L562 F564 T585 L589 | F524-L543 HydrophobicContact CE2-CB 4.19Å; F524-L543 HydrophobicContact CZ-CB 3.93Å; F524-L543 HydrophobicContact CZ-CD1 4Å; I539-L543 WeakPolarHBondContact O-CB 3.4Å; I539-L543 PolarHBondContact O-N 2.88Å; L543-E546 PolarHBondContact O-N 3.37Å; L543-L547 HydrophobicContact CD1-CD1 3.9Å; L543-L547 HydrophobicContact CD1-CD2 4.47Å; L543-L547 HydrophobicContact CD1-CG 3.97Å; L543-L547 HydrophobicContact CG-CD1 3.88Å; L543-L547 HydrophobicContact CG-CG 4.35Å; L543-L547 WeakPolarHBondContact O-CB 3.47Å; L543-L547 WeakPolarHBondContact O-CG 3.09Å; L543-L547 PolarHBondContact O-N 3.13Å; L543-L562 HydrophobicContact CD1-CD1 4.21Å; L543-L562 HydrophobicContact CD1-CD2 3.95Å; L543-F564 HydrophobicContact CD1-CD2 4.32Å; L543-F564 HydrophobicContact CD2-CD1 4.46Å; L543-F564 HydrophobicContact CD2-CD2 4.41Å; L543-F564 HydrophobicContact CD2-CE1 4.31Å; L543-F564 HydrophobicContact CD2-CE2 4.29Å; L543-F564 HydrophobicContact CD2-CZ 4.23Å; L543-T585 HydrophobicContact CD2-CG2 4.13Å; L543-L589 HydrophobicContact CD2-CD1 4.43Å |
| 544 | R | 92.4 | Very high | 90.8 | Very high | 85 Ų | 85 | 24.2 Ų | 24.2 | 32% | 0.321 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 176.6 | -169.9 | -172.2 | -63.7 | 149.6 | 14.5 | 112 | V540 E541 M542 A548 F594 | V540-R544 WeakPolarHBondContact O-CB 3.39Å; V540-R544 PolarHBondContact O-N 2.97Å; E541-R544 WeakPolarHBondContact O-CB 3.19Å; E541-R544 PolarHBondContact O-N 2.69Å; E541-R544 IonicContact OE2-CZ 3.08Å; E541-R544 IonicContact OE2-NE 2.77Å; E541-R544 IonicContact OE2-NH1 3.95Å; E541-R544 PolarHBondContact OE2-NH1 3.22Å; E541-R544 IonicContact OE2-NH2 2.78Å; E541-R544 PolarHBondContact OE2-NH2 3.44Å; M542-R544 VanDerWaalsContact C-N 3.26Å; M542-R544 PolarHBondContact O-N 3.19Å; R544-A548 PolarHBondContact O-N 3.28Å; R544-A548 VanDerWaalsContact O-N 3.14Å; R544-F594 HydrophobicContact CB-CD1 4.3Å; R544-F594 HydrophobicContact CB-CE1 3.55Å; R544-F594 HydrophobicContact CB-CZ 4Å; R544-F594 HydrophobicContact CG-CD1 4.24Å; R544-F594 HydrophobicContact CG-CE1 3.84Å; R544-F594 HydrophobicContact CG-CZ 4.18Å |
| 545 | I | 89.4 | Confident | 90.4 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | -178.7 | -70.3 | 162.7 | 0 | 0 | 0 | 110.7 | E541 M542 A548 Y549 M900 | E541-I545 HydrophobicContact CG-CD1 4.36Å; E541-I545 WeakPolarHBondContact O-CG1 3.4Å; E541-I545 PolarHBondContact O-N 3.17Å; E541-I545 VanDerWaalsContact O-N 3.09Å; M542-I545 PolarHBondContact O-N 2.76Å; M542-I545 VanDerWaalsContact O-N 3.12Å; I545-A548 PolarHBondContact O-N 3.42Å; I545-Y549 WeakPolarHBondContact O-CB 3.36Å; I545-Y549 PolarHBondContact O-N 2.94Å; I545-M900 HydrophobicContact CD1-CB 4.19Å; I545-M900 HydrophobicContact CD1-CE 3.3Å; I545-M900 HydrophobicContact CD1-CG 4.41Å |
| 546 | E | 90.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 179.7 | -67.1 | -52.7 | 146.3 | 0 | 0 | 112.3 | V504 F524 M542 L543 Y549 L550 | V504-E546 WeakPolarHBondContact CB-OE2 3.14Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.28Å; V504-E546 HydrophobicContact CG2-CB 4.24Å; F524-E546 HydrophobicContact CD1-CG 3.91Å; F524-E546 HydrophobicContact CE1-CB 4.23Å; F524-E546 HydrophobicContact CE1-CG 3.86Å; M542-E546 WeakPolarHBondContact O-CB 3.12Å; M542-E546 WeakPolarHBondContact O-CG 3.44Å; M542-E546 PolarHBondContact O-N 3Å; L543-E546 PolarHBondContact O-N 3.37Å; E546-Y549 PolarHBondContact O-N 3.48Å; E546-L550 WeakPolarHBondContact O-CB 3.44Å; E546-L550 WeakPolarHBondContact O-CG 3.31Å; E546-L550 PolarHBondContact O-N 2.96Å |
| 547 | L | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 173.9 | -71.6 | 172.7 | 0 | 0 | 0 | 112.1 | V440 V442 L543 Y549 L550 C551 L562 L589 F594 A597 V599 | V440-L547 HydrophobicContact CB-CD2 4.25Å; V440-L547 HydrophobicContact CG1-CD2 3.56Å; V442-L547 HydrophobicContact CG2-CD2 3.65Å; L543-L547 HydrophobicContact CD1-CD1 3.9Å; L543-L547 HydrophobicContact CD1-CD2 4.47Å; L543-L547 HydrophobicContact CD1-CG 3.97Å; L543-L547 HydrophobicContact CG-CD1 3.88Å; L543-L547 HydrophobicContact CG-CG 4.35Å; L543-L547 WeakPolarHBondContact O-CB 3.47Å; L543-L547 WeakPolarHBondContact O-CG 3.09Å; L543-L547 PolarHBondContact O-N 3.13Å; L547-Y549 VanDerWaalsContact C-N 3.33Å; L547-L550 PolarHBondContact O-N 3.19Å; L547-C551 WeakPolarHBondContact O-CB 3.02Å; L547-C551 PolarHBondContact O-N 3.05Å; L547-L562 HydrophobicContact CD2-CD1 4.08Å; L547-L589 HydrophobicContact CD1-CD2 3.76Å; L547-F594 HydrophobicContact CD1-CD1 3.74Å; L547-F594 HydrophobicContact CD1-CE1 4.4Å; L547-A597 HydrophobicContact CB-CB 4.22Å; L547-A597 WeakPolarHBondContact O-CB 3.4Å; L547-V599 HydrophobicContact CD1-CG2 4.31Å |
| 548 | A | 91 | Very high | 90 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | R544 I545 C551 T552 G595 | R544-A548 PolarHBondContact O-N 3.28Å; R544-A548 VanDerWaalsContact O-N 3.14Å; I545-A548 PolarHBondContact O-N 3.42Å; A548-C551 WeakPolarHBondContact O-CB 3.39Å; A548-C551 PolarHBondContact O-N 2.62Å; A548-T552 PolarHBondContact O-N 3.34Å; A548-T552 PolarHBondContact O-OG1 3.38Å; A548-G595 WeakPolarHBondContact CB-O 3.49Å |
| 549 | Y | 88.8 | Confident | 90.1 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 178 | -177.1 | -110.3 | 0 | 0 | 0 | 112.4 | E236 V504 L505 I545 E546 L547 C551 T552 C553 | E236-Y549 HydrophobicContact CG-CE2 4.08Å; E236-Y549 WeakPolarHBondContact CG-OH 3.5Å; V504-Y549 HydrophobicContact CG1-CD1 3.61Å; V504-Y549 HydrophobicContact CG1-CE1 4.03Å; L505-Y549 HydrophobicContact CD1-CE1 3.93Å; L505-Y549 HydrophobicContact CG-CE1 3.98Å; I545-Y549 WeakPolarHBondContact O-CB 3.36Å; I545-Y549 PolarHBondContact O-N 2.94Å; E546-Y549 PolarHBondContact O-N 3.48Å; L547-Y549 VanDerWaalsContact C-N 3.33Å; Y549-C551 VanDerWaalsContact C-N 3.33Å; Y549-C551 PolarHBondContact O-N 3.07Å; Y549-T552 PolarHBondContact O-N 3.36Å; Y549-C553 HydrophobicContact CD2-CB 4.42Å; Y549-C553 VanDerWaalsContact CD2-SG 3.53Å; Y549-C553 HydrophobicContact CE2-CB 4.21Å; Y549-C553 WeakPolarHBondContact CE2-SG 3.47Å; Y549-C553 VanDerWaalsContact O-CB 3.28Å; Y549-C553 WeakPolarHBondContact O-CB 3.07Å; Y549-C553 PolarHBondContact O-N 3.4Å |
| 550 | L | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 173.3 | -75.5 | 175 | 0 | 0 | 0 | 112 | V440 V504 L505 E546 L547 T552 W554 P560 L562 | V440-L550 HydrophobicContact CG1-CB 4.42Å; V440-L550 HydrophobicContact CG1-CD1 3.84Å; V440-L550 HydrophobicContact CG2-CB 3.94Å; V504-L550 HydrophobicContact CG1-CD2 3.82Å; V504-L550 HydrophobicContact CG1-CG 3.97Å; V504-L550 HydrophobicContact CG2-CD1 3.95Å; V504-L550 HydrophobicContact CG2-CD2 4.16Å; V504-L550 HydrophobicContact CG2-CG 4.07Å; L505-L550 HydrophobicContact CD2-CD2 3.89Å; E546-L550 WeakPolarHBondContact O-CB 3.44Å; E546-L550 WeakPolarHBondContact O-CG 3.31Å; E546-L550 PolarHBondContact O-N 2.96Å; L547-L550 PolarHBondContact O-N 3.19Å; L550-T552 VanDerWaalsContact C-N 3.28Å; L550-T552 PolarHBondContact O-N 2.66Å; L550-W554 HydrophobicContact CD2-CE3 4.16Å; L550-W554 HydrophobicContact CD2-CZ3 4.44Å; L550-W554 WeakPolarHBondContact O-CB 3.17Å; L550-W554 PolarHBondContact O-N 3.46Å; L550-P560 HydrophobicContact CD1-CB 4.47Å; L550-P560 HydrophobicContact CD2-CB 4.26Å; L550-L562 HydrophobicContact CD1-CB 4.38Å; L550-L562 HydrophobicContact CD1-CD1 3.89Å |
| 551 | C | 91.1 | Very high | 90.5 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 178.9 | -169.9 | 0 | 0 | 0 | 0 | 112 | V440 L547 A548 Y549 A597 | V440-C551 HydrophobicContact CG2-CB 4.12Å; L547-C551 WeakPolarHBondContact O-CB 3.02Å; L547-C551 PolarHBondContact O-N 3.05Å; A548-C551 WeakPolarHBondContact O-CB 3.39Å; A548-C551 PolarHBondContact O-N 2.62Å; Y549-C551 VanDerWaalsContact C-N 3.33Å; Y549-C551 PolarHBondContact O-N 3.07Å; C551-A597 HydrophobicContact CB-CB 3.67Å |
| 552 | T | 86.7 | Confident | 90.8 | Very high | 91 Ų | 91 | 37 Ų | 37 | 56% | 0.558 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -82.4 | -35.5 | -177.7 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | A548 Y549 L550 R555 | A548-T552 PolarHBondContact O-N 3.34Å; A548-T552 PolarHBondContact O-OG1 3.38Å; Y549-T552 PolarHBondContact O-N 3.36Å; L550-T552 VanDerWaalsContact C-N 3.28Å; L550-T552 PolarHBondContact O-N 2.66Å; T552-R555 PolarHBondContact O-NH1 3.38Å; T552-R555 PolarHBondContact O-NH2 2.97Å |
| 553 | C | 88.4 | Confident | 91 | Very high | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -108.7 | -11.3 | -167.3 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | E236 L505 Y549 R555 | E236-C553 VanDerWaalsContact CD-SG 3.53Å; E236-C553 HydrophobicContact CG-CB 3.89Å; E236-C553 PolarHBondContact OE1-SG 2.75Å; L505-C553 HydrophobicContact CD1-CB 4.45Å; L505-C553 HydrophobicContact CD2-CB 4.26Å; Y549-C553 HydrophobicContact CD2-CB 4.42Å; Y549-C553 VanDerWaalsContact CD2-SG 3.53Å; Y549-C553 HydrophobicContact CE2-CB 4.21Å; Y549-C553 WeakPolarHBondContact CE2-SG 3.47Å; Y549-C553 VanDerWaalsContact O-CB 3.28Å; Y549-C553 WeakPolarHBondContact O-CB 3.07Å; Y549-C553 PolarHBondContact O-N 3.4Å; C553-R555 WeakPolarHBondContact O-CG 3.32Å; C553-R555 PolarHBondContact O-N 3.19Å |
| 554 | W | 91 | Very high | 91.1 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | trans | -68.8 | 127.6 | 178 | -169.4 | -91.9 | 0 | 0 | 0 | 111.9 | V438 L505 S508 K509 L550 M556 G558 P560 F612 | V438-W554 HydrophobicContact CG1-CB 4.12Å; V438-W554 HydrophobicContact CG2-CB 4.42Å; L505-W554 HydrophobicContact CD2-CE3 3.96Å; L505-W554 WeakPolarHBondContact O-CZ3 3.29Å; S508-W554 WeakPolarHBondContact O-CH2 3.23Å; K509-W554 HydrophobicContact CG-CH2 3.95Å; K509-W554 HydrophobicContact CG-CZ3 4.47Å; L550-W554 HydrophobicContact CD2-CE3 4.16Å; L550-W554 HydrophobicContact CD2-CZ3 4.44Å; L550-W554 WeakPolarHBondContact O-CB 3.17Å; L550-W554 PolarHBondContact O-N 3.46Å; W554-M556 HydrophobicContact CD2-CE 4.25Å; W554-M556 HydrophobicContact CE3-CE 4.19Å; W554-M556 HydrophobicContact CH2-CE 3.18Å; W554-M556 HydrophobicContact CZ2-CE 3.19Å; W554-M556 HydrophobicContact CZ3-CE 3.69Å; W554-M556 PolarHBondContact NE1-O 3.13Å; W554-G558 PolarHBondContact NE1-O 2.87Å; W554-P560 HydrophobicContact CB-CG 4.21Å; W554-P560 HydrophobicContact CD2-CB 3.64Å; W554-P560 HydrophobicContact CD2-CG 3.82Å; W554-P560 HydrophobicContact CE3-CB 3.59Å; W554-P560 HydrophobicContact CE3-CG 4.22Å; W554-P560 HydrophobicContact CG-CB 4.21Å; W554-P560 HydrophobicContact CG-CG 3.85Å; W554-P560 HydrophobicContact CH2-CB 3.86Å; W554-P560 VanDerWaalsContact CZ2-CA 3.5Å; W554-P560 HydrophobicContact CZ2-CB 3.95Å; W554-P560 HydrophobicContact CZ3-CB 3.71Å; W554-F612 HydrophobicContact CH2-CB 4.32Å; W554-F612 HydrophobicContact CZ2-CB 3.67Å; W554-F612 HydrophobicContact CZ2-CG 4.29Å | ||
| 555 | R | 81 | Confident | 91.2 | Very high | 102 Ų | 102 | 33.2 Ų | 33.2 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | trans | -126.5 | -10.2 | -176.7 | -59.8 | -56.9 | 178.2 | -114.2 | 0.7 | 115.1 | E271 T552 C553 | E271-R555 IonicContact OE1-NE 3.66Å; E271-R555 IonicContact OE2-CZ 3.27Å; E271-R555 IonicContact OE2-NE 3.33Å; E271-R555 PolarHBondContact OE2-NE 3.03Å; E271-R555 IonicContact OE2-NH2 3.81Å; E271-R555 PolarHBondContact OE2-NH2 3.33Å; T552-R555 PolarHBondContact O-NH1 3.38Å; T552-R555 PolarHBondContact O-NH2 2.97Å; C553-R555 WeakPolarHBondContact O-CG 3.32Å; C553-R555 PolarHBondContact O-N 3.19Å | ||
| 556 | M | 86.4 | Confident | 91.4 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -78.9 | 158.2 | -173.7 | -54.8 | -176.4 | -46.5 | 0 | 0 | 111.5 | K509 W554 G558 F612 | K509-M556 HydrophobicContact CD-CE 3.84Å; K509-M556 HydrophobicContact CD-SD 4.34Å; K509-M556 VanDerWaalsContact CE-CE 3.45Å; K509-M556 VanDerWaalsContact CE-SD 3.53Å; K509-M556 HydrophobicContact CG-CE 3.91Å; K509-M556 PolarHBondContact NZ-SD 3.47Å; W554-M556 HydrophobicContact CD2-CE 4.25Å; W554-M556 HydrophobicContact CE3-CE 4.19Å; W554-M556 HydrophobicContact CH2-CE 3.18Å; W554-M556 HydrophobicContact CZ2-CE 3.19Å; W554-M556 HydrophobicContact CZ3-CE 3.69Å; W554-M556 PolarHBondContact NE1-O 3.13Å; M556-G558 PolarHBondContact O-N 3.18Å; M556-F612 HydrophobicContact CB-CD2 3.55Å; M556-F612 HydrophobicContact CB-CE2 3.6Å; M556-F612 HydrophobicContact CB-CG 4.33Å; M556-F612 HydrophobicContact CB-CZ 4.37Å; M556-F612 HydrophobicContact CE-CB 4.09Å; M556-F612 HydrophobicContact CE-CD1 3.49Å; M556-F612 VanDerWaalsContact CE-CD1 3.49Å; M556-F612 HydrophobicContact CE-CD2 3.76Å; M556-F612 HydrophobicContact CE-CE1 3.79Å; M556-F612 HydrophobicContact CE-CE2 4.07Å; M556-F612 HydrophobicContact CE-CG 3.49Å; M556-F612 VanDerWaalsContact CE-CG 3.49Å; M556-F612 HydrophobicContact CE-CZ 4.07Å; M556-F612 HydrophobicContact CG-CD2 4.48Å; M556-F612 HydrophobicContact CG-CE2 4.24Å; M556-F612 HydrophobicContact SD-CD1 4.25Å; M556-F612 HydrophobicContact SD-CD2 4.26Å; M556-F612 HydrophobicContact SD-CE1 3.91Å; M556-F612 HydrophobicContact SD-CE2 3.97Å; M556-F612 HydrophobicContact SD-CG 4.43Å; M556-F612 HydrophobicContact SD-CZ 3.77Å |
| 557 | T | 86.6 | Confident | 91.4 | Very high | 139 Ų | 139 | 31.3 Ų | 31.3 | 85% | 0.853 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -78.1 | 105.7 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 111 | F612 | T557-F612 VanDerWaalsContact O-CD2 3.24Å; T557-F612 WeakPolarHBondContact O-CD2 3.43Å |
| 558 | G | 90.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 131.5 | 162.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | W554 M556 | W554-G558 PolarHBondContact NE1-O 2.87Å; M556-G558 PolarHBondContact O-N 3.18Å |
| 559 | R | 93.6 | Very high | 90.8 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 38% | 0.377 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -90.2 | 142.2 | -178.2 | -67.7 | -179.1 | -176.3 | -163.9 | -0.5 | 111.1 | Q441 T561 T610 F612 | Q441-R559 HydrophobicContact CG-CB 4.01Å; Q441-R559 VanDerWaalsContact OE1-CB 3.25Å; R559-T561 PolarHBondContact O-N 3.44Å; R559-T610 PolarHBondContact N-O 3.41Å; R559-F612 PolarHBondContact O-N 2.91Å |
| 560 | P | 96.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | trans | -64.5 | 130.5 | 171 | 19 | -20.6 | 0 | 0 | 0 | 109.4 | V438 V440 Q441 L550 W554 | V438-P560 HydrophobicContact CG1-CG 3.76Å; V440-P560 HydrophobicContact CB-CG 4.38Å; V440-P560 HydrophobicContact CG1-CB 4.43Å; V440-P560 HydrophobicContact CG1-CG 4.28Å; V440-P560 HydrophobicContact CG2-CG 4.1Å; Q441-P560 WeakPolarHBondContact CB-O 3.16Å; Q441-P560 PolarHBondContact N-O 2.92Å; L550-P560 HydrophobicContact CD1-CB 4.47Å; L550-P560 HydrophobicContact CD2-CB 4.26Å; W554-P560 HydrophobicContact CB-CG 4.21Å; W554-P560 HydrophobicContact CD2-CB 3.64Å; W554-P560 HydrophobicContact CD2-CG 3.82Å; W554-P560 HydrophobicContact CE3-CB 3.59Å; W554-P560 HydrophobicContact CE3-CG 4.22Å; W554-P560 HydrophobicContact CG-CB 4.21Å; W554-P560 HydrophobicContact CG-CG 3.85Å; W554-P560 HydrophobicContact CH2-CB 3.86Å; W554-P560 VanDerWaalsContact CZ2-CA 3.5Å; W554-P560 HydrophobicContact CZ2-CB 3.95Å; W554-P560 HydrophobicContact CZ3-CB 3.71Å | ||
| 561 | T | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 103.5 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | Q441 S508 R559 L604 F607 S611 | Q441-T561 HydrophobicContact CB-CG2 4.4Å; Q441-T561 CarbonylContact O-C 3.49Å; Q441-T561 WeakPolarHBondContact O-CA 3.48Å; Q441-T561 PolarHBondContact OE1-OG1 2.9Å; S508-T561 CarbonylContact C-O 3.53Å; S508-T561 VanDerWaalsContact CA-O 3.26Å; S508-T561 WeakPolarHBondContact CA-O 3.36Å; S508-T561 PolarHBondContact O-N 2.67Å; R559-T561 PolarHBondContact O-N 3.44Å; T561-L604 HydrophobicContact CG2-CD1 3.9Å; T561-F607 HydrophobicContact CG2-CB 4.39Å; T561-F607 HydrophobicContact CG2-CD2 4.22Å; T561-S611 VanDerWaalsContact OG1-CB 3.31Å; T561-S611 WeakPolarHBondContact OG1-CB 3.47Å; T561-S611 PolarHBondContact OG1-OG 2.83Å |
| 562 | L | 96.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.7 | 179.4 | -175.9 | 150 | 0 | 0 | 0 | 109.9 | Q441 V442 T443 V504 P522 L543 L547 L550 F564 | Q441-L562 PolarHBondContact O-N 2.9Å; V442-L562 WeakPolarHBondContact CA-O 3.07Å; V442-L562 HydrophobicContact CG1-CD2 4.31Å; T443-L562 PolarHBondContact N-O 3.34Å; V504-L562 HydrophobicContact CG2-CD1 4.16Å; P522-L562 HydrophobicContact CG-CD1 3.9Å; P522-L562 HydrophobicContact CG-CD2 4.13Å; P522-L562 HydrophobicContact CG-CG 3.76Å; L543-L562 HydrophobicContact CD1-CD1 4.21Å; L543-L562 HydrophobicContact CD1-CD2 3.95Å; L547-L562 HydrophobicContact CD2-CD1 4.08Å; L550-L562 HydrophobicContact CD1-CB 4.38Å; L550-L562 HydrophobicContact CD1-CD1 3.89Å; L562-F564 HydrophobicContact CD2-CB 3.81Å |
| 563 | T | 95.5 | Very high | 90 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.9 | 177 | -61 | 0 | 0 | 0 | 0 | 109.8 | L445 V473 T519 P522 P565 | L445-T563 HydrophobicContact CD1-CG2 3.49Å; L445-T563 VanDerWaalsContact CD1-CG2 3.49Å; L445-T563 HydrophobicContact CG-CG2 4.2Å; V473-T563 HydrophobicContact CG1-CG2 4.24Å; V473-T563 HydrophobicContact CG2-CG2 4.47Å; T519-T563 HydrophobicContact CG2-CG2 4.17Å; T519-T563 PolarHBondContact OG1-OG1 3.1Å; P522-T563 WeakPolarHBondContact CD-O 3.29Å; T563-P565 WeakPolarHBondContact O-CD 3.41Å |
| 564 | F | 95.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 102.2 | -175.5 | -172.3 | -112.4 | 0 | 0 | 0 | 111.2 | T443 V444 L445 F524 T525 I539 L543 L562 I566 M570 | T443-F564 PolarHBondContact O-N 2.91Å; V444-F564 WeakPolarHBondContact CA-O 3.28Å; V444-F564 HydrophobicContact CG2-CD1 4.46Å; L445-F564 PolarHBondContact N-O 2.82Å; F524-F564 HydrophobicContact CE2-CE2 4.05Å; F524-F564 HydrophobicContact CZ-CD2 4.47Å; F524-F564 HydrophobicContact CZ-CE2 4.34Å; T525-F564 HydrophobicContact CG2-CD2 4.02Å; T525-F564 HydrophobicContact CG2-CE2 3.9Å; I539-F564 HydrophobicContact CG2-CE2 3.95Å; I539-F564 HydrophobicContact CG2-CZ 3.85Å; L543-F564 HydrophobicContact CD1-CD2 4.32Å; L543-F564 HydrophobicContact CD2-CD1 4.46Å; L543-F564 HydrophobicContact CD2-CD2 4.41Å; L543-F564 HydrophobicContact CD2-CE1 4.31Å; L543-F564 HydrophobicContact CD2-CE2 4.29Å; L543-F564 HydrophobicContact CD2-CZ 4.23Å; L562-F564 HydrophobicContact CD2-CB 3.81Å; F564-I566 HydrophobicContact CD1-CD1 3.75Å; F564-I566 HydrophobicContact CE1-CD1 3.43Å; F564-I566 VanDerWaalsContact CE1-CD1 3.43Å; F564-I566 HydrophobicContact CZ-CD1 4.44Å; F564-M570 HydrophobicContact CE1-SD 4.42Å; F564-M570 HydrophobicContact CE2-CE 4.39Å; F564-M570 HydrophobicContact CZ-CE 4.01Å; F564-M570 HydrophobicContact CZ-SD 4.16Å |
| 565 | P | 93.8 | Very high | 89 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.9 | 177.6 | 33 | -35.8 | 0 | 0 | 0 | 111.6 | L445 T521 T563 | L445-P565 CarbonylContact O-C 3.22Å; L445-P565 WeakPolarHBondContact O-CA 3.43Å; T521-P565 HydrophobicContact CG2-CG 3.84Å; T563-P565 WeakPolarHBondContact O-CD 3.41Å |
| 566 | I | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 110.2 | 166.7 | -52.5 | -56.8 | 0 | 0 | 0 | 107.8 | V444 L445 E447 I451 L455 F564 M570 V582 I586 | V444-I566 HydrophobicContact CG1-CD1 4.05Å; V444-I566 HydrophobicContact CG1-CG1 3.61Å; L445-I566 PolarHBondContact O-N 2.76Å; E447-I566 WeakPolarHBondContact CB-O 3.45Å; E447-I566 PolarHBondContact N-O 3Å; I451-I566 WeakPolarHBondContact CD1-O 3.47Å; I451-I566 HydrophobicContact CG2-CB 4.04Å; I451-I566 HydrophobicContact CG2-CG2 3.7Å; L455-I566 HydrophobicContact CD1-CB 4.44Å; L455-I566 HydrophobicContact CD1-CG1 4.21Å; F564-I566 HydrophobicContact CD1-CD1 3.75Å; F564-I566 HydrophobicContact CE1-CD1 3.43Å; F564-I566 VanDerWaalsContact CE1-CD1 3.43Å; F564-I566 HydrophobicContact CZ-CD1 4.44Å; I566-M570 HydrophobicContact CD1-SD 3.93Å; I566-M570 HydrophobicContact CG2-CB 4.17Å; I566-M570 HydrophobicContact CG2-SD 4.39Å; I566-V582 HydrophobicContact CD1-CG1 3.83Å; I566-I586 HydrophobicContact CD1-CD1 4.2Å; I566-I586 HydrophobicContact CG1-CD1 4.49Å |
| 567 | S | 90 | Very high | 89.5 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | trans | -100.1 | 170 | 180 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | E447 Q527 T569 M570 | E447-S567 WeakPolarHBondContact OE2-CA 3.33Å; E447-S567 WeakPolarHBondContact OE2-CB 3.48Å; Q527-S567 PolarHBondContact NE2-OG 2.89Å; S567-T569 PolarHBondContact O-N 2.91Å; S567-T569 VanDerWaalsContact O-N 3.15Å; S567-T569 PolarHBondContact OG-OG1 2.81Å; S567-M570 WeakPolarHBondContact O-CB 3.48Å; S567-M570 PolarHBondContact O-N 3.44Å | ||
| 568 | R | 87.2 | Confident | 89.7 | Confident | 192 Ų | 192 | 41.1 Ų | 41.1 | 73% | 0.725 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -55.3 | -30.8 | 179.5 | -173.7 | 177.5 | -180 | -178.7 | -0.2 | 114.3 | E447 M570 L571 | E447-R568 PolarHBondContact OE2-N 2.89Å; R568-M570 PolarHBondContact O-N 3.21Å; R568-L571 HydrophobicContact CG-CD1 4.35Å; R568-L571 WeakPolarHBondContact O-CB 3.37Å; R568-L571 WeakPolarHBondContact O-CG 3.42Å; R568-L571 PolarHBondContact O-N 3.02Å |
| 569 | T | 85 | Confident | 89.7 | Confident | 30 Ų | 30 | 42 Ų | 42 | 18% | 0.184 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -72.2 | -15.1 | -179.7 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | Q527 L534 N536 S567 L571 L816 | Q527-T569 PolarHBondContact NE2-OG1 3.21Å; Q527-T569 VanDerWaalsContact OE1-CG2 3.27Å; L534-T569 HydrophobicContact CD2-CG2 4.36Å; N536-T569 PolarHBondContact ND2-O 3.41Å; N536-T569 PolarHBondContact OD1-O 3.4Å; S567-T569 PolarHBondContact O-N 2.91Å; S567-T569 VanDerWaalsContact O-N 3.15Å; S567-T569 PolarHBondContact OG-OG1 2.81Å; T569-L571 PolarHBondContact O-N 2.85Å; T569-L816 HydrophobicContact CG2-CD2 4.43Å |
| 570 | M | 90.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -87 | 7.2 | 177.1 | -59.4 | -174.1 | -171.2 | 0 | 0 | 112.9 | N536 I539 F564 I566 S567 R568 H579 V582 | N536-M570 WeakPolarHBondContact OD1-CA 3.45Å; I539-M570 HydrophobicContact CD1-CE 4Å; I539-M570 HydrophobicContact CG2-CE 4.22Å; F564-M570 HydrophobicContact CE1-SD 4.42Å; F564-M570 HydrophobicContact CE2-CE 4.39Å; F564-M570 HydrophobicContact CZ-CE 4.01Å; F564-M570 HydrophobicContact CZ-SD 4.16Å; I566-M570 HydrophobicContact CD1-SD 3.93Å; I566-M570 HydrophobicContact CG2-CB 4.17Å; I566-M570 HydrophobicContact CG2-SD 4.39Å; S567-M570 WeakPolarHBondContact O-CB 3.48Å; S567-M570 PolarHBondContact O-N 3.44Å; R568-M570 PolarHBondContact O-N 3.21Å; M570-H579 VanDerWaalsContact O-CB 3.28Å; M570-H579 WeakPolarHBondContact O-CB 3.24Å; M570-H579 PolarHBondContact O-N 2.69Å; M570-V582 HydrophobicContact CB-CG2 4.3Å |
| 571 | L | 89.6 | Confident | 89.4 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -89.4 | 169.2 | 174 | -55.5 | -177.1 | 0 | 0 | 0 | 110.9 | I451 L454 R568 T569 D577 I578 | I451-L571 HydrophobicContact CG1-CD1 4.29Å; I451-L571 HydrophobicContact CG1-CD2 4.44Å; L454-L571 HydrophobicContact CD1-CD1 4.24Å; L454-L571 HydrophobicContact CD1-CD2 3.98Å; R568-L571 HydrophobicContact CG-CD1 4.35Å; R568-L571 WeakPolarHBondContact O-CB 3.37Å; R568-L571 WeakPolarHBondContact O-CG 3.42Å; R568-L571 PolarHBondContact O-N 3.02Å; T569-L571 PolarHBondContact O-N 2.85Å; L571-D577 CarbonylContact C-O 3.57Å; L571-D577 VanDerWaalsContact CA-O 3.26Å; L571-D577 WeakPolarHBondContact CA-O 3.16Å; L571-D577 WeakPolarHBondContact CB-O 3.24Å; L571-I578 HydrophobicContact CD2-CG1 3.98Å |
| 572 | T | 86 | Confident | 89.3 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 26% | 0.264 | 23% | 0.23 | S | C | . | . | trans | -62.6 | 160 | 169 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | D574 G575 S576 D577 | T572-D574 WeakPolarHBondContact CB-OD1 3.45Å; T572-D574 PolarHBondContact O-N 3Å; T572-D574 VanDerWaalsContact O-N 3.08Å; T572-D574 PolarHBondContact OG1-OD1 3.32Å; T572-G575 WeakPolarHBondContact O-CA 3.48Å; T572-G575 PolarHBondContact O-N 3.29Å; T572-S576 PolarHBondContact OG1-N 2.74Å; T572-D577 HydrophobicContact CG2-CB 4.25Å; T572-D577 PolarHBondContact N-O 3.13Å; T572-D577 PolarHBondContact OG1-N 3.37Å; T572-D577 VanDerWaalsContact OG1-N 3.15Å; T572-D577 PolarHBondContact OG1-O 3.34Å | ||
| 573 | N | 75.8 | Confident | 89.2 | Confident | 141 Ų | 141 | 42.2 Ų | 42.2 | 75% | 0.754 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.4 | -174.4 | -66.5 | -4.5 | 0 | 0 | 0 | 113.9 | G575 | N573-G575 VanDerWaalsContact C-N 3.34Š|
| 574 | D | 77.6 | Confident | 89.1 | Confident | 121 Ų | 121 | 44.3 Ų | 44.3 | 65% | 0.647 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.5 | 175.3 | 62 | -21.9 | 0 | 0 | 0 | 113.4 | T572 S576 | T572-D574 WeakPolarHBondContact CB-OD1 3.45Å; T572-D574 PolarHBondContact O-N 3Å; T572-D574 VanDerWaalsContact O-N 3.08Å; T572-D574 PolarHBondContact OG1-OD1 3.32Å; D574-S576 PolarHBondContact O-N 2.78Å; D574-S576 PolarHBondContact OD1-N 2.7Å; D574-S576 PolarHBondContact OD1-OG 3.28Å; D574-S576 VanDerWaalsContact OD1-OG 3.05Å; D574-S576 WeakPolarHBondContact OD2-CB 3.5Å; D574-S576 PolarHBondContact OD2-OG 2.81Å |
| 575 | G | 80.4 | Confident | 89 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 66 | 14.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T572 N573 | T572-G575 WeakPolarHBondContact O-CA 3.48Å; T572-G575 PolarHBondContact O-N 3.29Å; N573-G575 VanDerWaalsContact C-N 3.34Å |
| 576 | S | 86.6 | Confident | 89 | Confident | 68 Ų | 68 | 43.4 Ų | 43.4 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -80.4 | -28.8 | -174.2 | 68.1 | 0 | 0 | 0 | 0 | 113 | L454 T572 D574 | L454-S576 WeakPolarHBondContact CD2-O 3.39Å; T572-S576 PolarHBondContact OG1-N 2.74Å; D574-S576 PolarHBondContact O-N 2.78Å; D574-S576 PolarHBondContact OD1-N 2.7Å; D574-S576 PolarHBondContact OD1-OG 3.28Å; D574-S576 VanDerWaalsContact OD1-OG 3.05Å; D574-S576 WeakPolarHBondContact OD2-CB 3.5Å; D574-S576 PolarHBondContact OD2-OG 2.81Å |
| 577 | D | 90.9 | Very high | 89 | Confident | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -147.1 | 175.3 | -177.5 | -154.7 | 2.6 | 0 | 0 | 0 | 112.6 | H458 L571 T572 | H458-D577 IonicContact CD2-OD1 3.68Å; H458-D577 PolarHBondContact CD2-OD1 2.97Å; H458-D577 IonicContact CE1-OD1 3.26Å; H458-D577 IonicContact CE1-OD2 3.6Å; H458-D577 PolarHBondContact CE1-OD2 3.2Å; H458-D577 IonicContact NE2-OD1 3.34Å; H458-D577 PolarHBondContact NE2-OD1 2.95Å; H458-D577 IonicContact NE2-OD2 3.9Å; H458-D577 PolarHBondContact NE2-OD2 3.02Å; L571-D577 CarbonylContact C-O 3.57Å; L571-D577 VanDerWaalsContact CA-O 3.26Å; L571-D577 WeakPolarHBondContact CA-O 3.16Å; L571-D577 WeakPolarHBondContact CB-O 3.24Å; T572-D577 HydrophobicContact CG2-CB 4.25Å; T572-D577 PolarHBondContact N-O 3.13Å; T572-D577 PolarHBondContact OG1-N 3.37Å; T572-D577 VanDerWaalsContact OG1-N 3.15Å; T572-D577 PolarHBondContact OG1-O 3.34Å |
| 578 | I | 91.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 140.2 | 177.8 | -55.8 | 176 | 0 | 0 | 0 | 109.8 | L454 L455 L571 S580 V582 L583 | L454-I578 HydrophobicContact CB-CD1 4.24Å; L454-I578 HydrophobicContact CB-CG1 4.15Å; L455-I578 HydrophobicContact CB-CD1 4.12Å; L455-I578 HydrophobicContact CD2-CD1 3.22Å; L455-I578 HydrophobicContact CG-CD1 3.35Å; L571-I578 HydrophobicContact CD2-CG1 3.98Å; I578-S580 PolarHBondContact O-N 3.46Å; I578-V582 HydrophobicContact CG2-CB 4.28Å; I578-V582 HydrophobicContact CG2-CG1 4.27Å; I578-L583 HydrophobicContact CG2-CB 4.33Å |
| 579 | H | 92.3 | Very high | 89.4 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | trans | -57.6 | 134.5 | 176.9 | -165.9 | -86.7 | 0 | 0 | 0 | 111.6 | N536 M570 A581 V582 L583 | N536-H579 HydrophobicContact CB-CB 4.4Å; M570-H579 VanDerWaalsContact O-CB 3.28Å; M570-H579 WeakPolarHBondContact O-CB 3.24Å; M570-H579 PolarHBondContact O-N 2.69Å; H579-A581 VanDerWaalsContact C-N 3.3Å; H579-A581 VanDerWaalsContact ND1-CB 3.35Å; H579-A581 WeakPolarHBondContact ND1-CB 3.47Å; H579-A581 PolarHBondContact ND1-N 3.08Å; H579-A581 PolarHBondContact O-N 3.38Å; H579-V582 HydrophobicContact CB-CG2 4.28Å; H579-V582 PolarHBondContact O-N 3.01Å; H579-V582 VanDerWaalsContact O-N 3.1Å; H579-L583 PolarHBondContact O-N 3.04Å | ||
| 580 | S | 92 | Very high | 89.8 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 60% | 0.601 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.5 | -38.5 | -172.7 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | I578 L583 S584 | I578-S580 PolarHBondContact O-N 3.46Å; S580-L583 PolarHBondContact O-N 3.14Å; S580-S584 VanDerWaalsContact O-CB 3.3Å; S580-S584 WeakPolarHBondContact O-CB 3.45Å; S580-S584 PolarHBondContact O-N 2.85Å; S580-S584 PolarHBondContact O-OG 3.41Å |
| 581 | A | 91.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E537 V540 H579 S584 T585 | E537-A581 HydrophobicContact CG-CB 4.27Å; E537-A581 WeakPolarHBondContact OE1-CB 3.31Å; E537-A581 WeakPolarHBondContact OE2-CB 3.41Å; V540-A581 HydrophobicContact CG2-CB 4.43Å; H579-A581 VanDerWaalsContact C-N 3.3Å; H579-A581 VanDerWaalsContact ND1-CB 3.35Å; H579-A581 WeakPolarHBondContact ND1-CB 3.47Å; H579-A581 PolarHBondContact ND1-N 3.08Å; H579-A581 PolarHBondContact O-N 3.38Å; A581-S584 PolarHBondContact O-N 3.29Å; A581-S584 PolarHBondContact O-OG 3.39Å; A581-T585 WeakPolarHBondContact O-CB 3.48Å; A581-T585 PolarHBondContact O-N 3.31Å; A581-T585 PolarHBondContact O-OG1 3.33Å |
| 582 | V | 93.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -47.1 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | N536 V540 I566 M570 I578 H579 S584 T585 I586 | N536-V582 HydrophobicContact CB-CG2 4.19Å; V540-V582 HydrophobicContact CG2-CG2 4.39Å; I566-V582 HydrophobicContact CD1-CG1 3.83Å; M570-V582 HydrophobicContact CB-CG2 4.3Å; I578-V582 HydrophobicContact CG2-CB 4.28Å; I578-V582 HydrophobicContact CG2-CG1 4.27Å; H579-V582 HydrophobicContact CB-CG2 4.28Å; H579-V582 PolarHBondContact O-N 3.01Å; H579-V582 VanDerWaalsContact O-N 3.1Å; V582-S584 PolarHBondContact O-N 3.35Å; V582-T585 WeakPolarHBondContact O-CB 3.48Å; V582-T585 PolarHBondContact O-N 3.18Å; V582-T585 VanDerWaalsContact O-N 3.1Å; V582-I586 HydrophobicContact CG1-CD1 4.14Å; V582-I586 WeakPolarHBondContact O-CG1 3.42Å; V582-I586 PolarHBondContact O-N 2.91Å |
| 583 | L | 93.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.8 | -176.5 | 63.6 | 0 | 0 | 0 | 112.3 | H458 V460 I578 H579 S580 T585 I586 R587 | H458-L583 HydrophobicContact CB-CD1 3.76Å; H458-L583 HydrophobicContact CB-CD2 4.27Å; V460-L583 HydrophobicContact CG2-CD1 4.33Å; I578-L583 HydrophobicContact CG2-CB 4.33Å; H579-L583 PolarHBondContact O-N 3.04Å; S580-L583 PolarHBondContact O-N 3.14Å; L583-T585 PolarHBondContact O-N 2.95Å; L583-I586 PolarHBondContact O-N 3.01Å; L583-R587 WeakPolarHBondContact O-CG 3.38Å; L583-R587 PolarHBondContact O-N 3.22Å; L583-R587 VanDerWaalsContact O-N 3.14Å |
| 584 | S | 93.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 176.1 | 81.4 | 0 | 0 | 0 | 0 | 112.1 | S580 A581 V582 K588 | S580-S584 VanDerWaalsContact O-CB 3.3Å; S580-S584 WeakPolarHBondContact O-CB 3.45Å; S580-S584 PolarHBondContact O-N 2.85Å; S580-S584 PolarHBondContact O-OG 3.41Å; A581-S584 PolarHBondContact O-N 3.29Å; A581-S584 PolarHBondContact O-OG 3.39Å; V582-S584 PolarHBondContact O-N 3.35Å; S584-K588 WeakPolarHBondContact O-CG 3.5Å; S584-K588 PolarHBondContact O-N 3.37Å; S584-K588 VanDerWaalsContact O-N 3.1Å |
| 585 | T | 94.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 178.1 | -61.9 | 0 | 0 | 0 | 0 | 111 | V540 L543 A581 V582 L583 R587 K588 L589 F594 | V540-T585 HydrophobicContact CG1-CG2 4.21Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.3Å; V540-T585 HydrophobicContact CG2-CG2 4.39Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.47Å; L543-T585 HydrophobicContact CD2-CG2 4.13Å; A581-T585 WeakPolarHBondContact O-CB 3.48Å; A581-T585 PolarHBondContact O-N 3.31Å; A581-T585 PolarHBondContact O-OG1 3.33Å; V582-T585 WeakPolarHBondContact O-CB 3.48Å; V582-T585 PolarHBondContact O-N 3.18Å; V582-T585 VanDerWaalsContact O-N 3.1Å; L583-T585 PolarHBondContact O-N 2.95Å; T585-R587 VanDerWaalsContact C-N 3.3Å; T585-R587 PolarHBondContact O-N 3.22Å; T585-K588 WeakPolarHBondContact O-CB 3.47Å; T585-K588 PolarHBondContact O-N 2.94Å; T585-K588 VanDerWaalsContact O-N 3.09Å; T585-L589 HydrophobicContact CG2-CD1 4.38Å; T585-L589 WeakPolarHBondContact O-CG 3.46Å; T585-L589 PolarHBondContact O-N 3.3Å; T585-F594 HydrophobicContact CG2-CE1 4Å; T585-F594 HydrophobicContact CG2-CE2 4.02Å; T585-F594 HydrophobicContact CG2-CZ 3.57Å |
| 586 | I | 94.5 | Very high | 91 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 175.2 | -65.9 | 168.5 | 0 | 0 | 0 | 110.6 | V444 L455 V460 I566 V582 L583 K588 L589 E590 | V444-I586 HydrophobicContact CG1-CD1 4.38Å; L455-I586 HydrophobicContact CD2-CD1 3.75Å; V460-I586 HydrophobicContact CB-CG2 4.5Å; V460-I586 HydrophobicContact CG1-CG2 3.68Å; V460-I586 HydrophobicContact CG2-CG2 3.98Å; I566-I586 HydrophobicContact CD1-CD1 4.2Å; I566-I586 HydrophobicContact CG1-CD1 4.49Å; V582-I586 HydrophobicContact CG1-CD1 4.14Å; V582-I586 WeakPolarHBondContact O-CG1 3.42Å; V582-I586 PolarHBondContact O-N 2.91Å; L583-I586 PolarHBondContact O-N 3.01Å; I586-K588 VanDerWaalsContact C-N 3.34Å; I586-K588 PolarHBondContact O-N 3.36Å; I586-L589 WeakPolarHBondContact O-CB 3.39Å; I586-L589 PolarHBondContact O-N 3.41Å; I586-L589 VanDerWaalsContact O-N 3.08Å; I586-E590 PolarHBondContact O-N 3.14Å; I586-E590 VanDerWaalsContact O-N 3.09Å |
| 587 | R | 92.6 | Very high | 91.2 | Very high | 118 Ų | 118 | 45.7 Ų | 45.7 | 45% | 0.445 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.3 | -70.1 | 176.7 | -179.6 | 150.4 | 3.1 | 112.7 | L583 T585 L589 E590 D591 | L583-R587 WeakPolarHBondContact O-CG 3.38Å; L583-R587 PolarHBondContact O-N 3.22Å; L583-R587 VanDerWaalsContact O-N 3.14Å; T585-R587 VanDerWaalsContact C-N 3.3Å; T585-R587 PolarHBondContact O-N 3.22Å; R587-L589 VanDerWaalsContact C-N 3.3Å; R587-L589 PolarHBondContact O-N 2.68Å; R587-E590 WeakPolarHBondContact O-CB 3.42Å; R587-E590 PolarHBondContact O-N 2.92Å; R587-E590 VanDerWaalsContact O-N 3.16Å; R587-D591 PolarHBondContact O-N 2.86Å |
| 588 | K | 92.6 | Very high | 91.3 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.3 | -30.8 | 174.7 | -71.6 | 170.6 | -178.7 | 171.9 | 0 | 112.8 | S584 T585 I586 E590 D591 F594 | S584-K588 WeakPolarHBondContact O-CG 3.5Å; S584-K588 PolarHBondContact O-N 3.37Å; S584-K588 VanDerWaalsContact O-N 3.1Å; T585-K588 WeakPolarHBondContact O-CB 3.47Å; T585-K588 PolarHBondContact O-N 2.94Å; T585-K588 VanDerWaalsContact O-N 3.09Å; I586-K588 VanDerWaalsContact C-N 3.34Å; I586-K588 PolarHBondContact O-N 3.36Å; K588-E590 VanDerWaalsContact C-N 3.31Å; K588-D591 WeakPolarHBondContact O-CB 3.44Å; K588-D591 PolarHBondContact O-N 3.27Å; K588-F594 HydrophobicContact CB-CD2 3.76Å; K588-F594 HydrophobicContact CB-CE2 4.18Å; K588-F594 HydrophobicContact CD-CD2 4.1Å; K588-F594 HydrophobicContact CD-CE2 3.86Å |
| 589 | L | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.3 | -31.7 | 173.7 | -64.1 | 168.2 | 0 | 0 | 0 | 111.3 | V442 L543 L547 T585 I586 R587 D591 G592 F594 V599 | V442-L589 HydrophobicContact CG1-CD1 4.27Å; L543-L589 HydrophobicContact CD2-CD1 4.43Å; L547-L589 HydrophobicContact CD1-CD2 3.76Å; T585-L589 HydrophobicContact CG2-CD1 4.38Å; T585-L589 WeakPolarHBondContact O-CG 3.46Å; T585-L589 PolarHBondContact O-N 3.3Å; I586-L589 WeakPolarHBondContact O-CB 3.39Å; I586-L589 PolarHBondContact O-N 3.41Å; I586-L589 VanDerWaalsContact O-N 3.08Å; R587-L589 VanDerWaalsContact C-N 3.3Å; R587-L589 PolarHBondContact O-N 2.68Å; L589-D591 VanDerWaalsContact C-N 3.31Å; L589-G592 PolarHBondContact O-N 3.28Å; L589-F594 HydrophobicContact CD2-CB 3.84Å; L589-F594 HydrophobicContact CD2-CD1 4.03Å; L589-F594 HydrophobicContact CD2-CG 4.02Å; L589-V599 HydrophobicContact CD2-CB 4.46Å; L589-V599 HydrophobicContact CD2-CG1 3.91Å; L589-V599 HydrophobicContact CD2-CG2 4.34Å |
| 590 | E | 92.3 | Very high | 91.7 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -31.9 | 172.4 | -66.4 | 173.1 | 156.3 | 0 | 0 | 112.3 | I586 R587 K588 G592 L601 | I586-E590 PolarHBondContact O-N 3.14Å; I586-E590 VanDerWaalsContact O-N 3.09Å; R587-E590 WeakPolarHBondContact O-CB 3.42Å; R587-E590 PolarHBondContact O-N 2.92Å; R587-E590 VanDerWaalsContact O-N 3.16Å; K588-E590 VanDerWaalsContact C-N 3.31Å; E590-G592 PolarHBondContact O-N 3.44Å; E590-L601 HydrophobicContact CG-CD2 3.48Å; E590-L601 VanDerWaalsContact CG-CD2 3.48Å |
| 591 | D | 91.3 | Very high | 91.9 | Very high | 135 Ų | 135 | 49.7 Ų | 49.7 | 72% | 0.722 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.2 | 176.1 | -65 | -29.2 | 0 | 0 | 0 | 113.4 | R587 K588 L589 | R587-D591 PolarHBondContact O-N 2.86Å; K588-D591 WeakPolarHBondContact O-CB 3.44Å; K588-D591 PolarHBondContact O-N 3.27Å; L589-D591 VanDerWaalsContact C-N 3.31Å |
| 592 | G | 90.9 | Very high | 92 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L589 E590 V599 | L589-G592 PolarHBondContact O-N 3.28Å; E590-G592 PolarHBondContact O-N 3.44Å; G592-V599 CarbonylContact C-O 3.55Å; G592-V599 VanDerWaalsContact CA-O 3.28Å; G592-V599 WeakPolarHBondContact CA-O 3.38Å; G592-V599 PolarHBondContact O-N 2.89Å |
| 593 | Y | 91.4 | Very high | 91.9 | Very high | 139 Ų | 139 | 52.6 Ų | 52.6 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 126.5 | 175.1 | -170.4 | -98.3 | 0 | 0 | 0 | 111.7 | G596 A597 R598 | Y593-G596 WeakPolarHBondContact CE2-O 3.34Å; Y593-G596 VanDerWaalsContact CZ-C 3.47Å; Y593-G596 WeakPolarHBondContact OH-CA 3.28Å; Y593-G596 PolarHBondContact OH-O 3.41Å; Y593-A597 WeakPolarHBondContact CA-O 3.22Å; Y593-A597 WeakPolarHBondContact CD2-O 3.31Å; Y593-R598 HydrophobicContact CD2-CG 4.17Å; Y593-R598 HydrophobicContact CE2-CG 4.48Å |
| 594 | F | 90.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 128.8 | 179.3 | -173.1 | -110.4 | 0 | 0 | 0 | 111.2 | V540 R544 L547 T585 K588 L589 G596 A597 V599 | V540-F594 HydrophobicContact CG1-CZ 4.31Å; R544-F594 HydrophobicContact CB-CD1 4.3Å; R544-F594 HydrophobicContact CB-CE1 3.55Å; R544-F594 HydrophobicContact CB-CZ 4Å; R544-F594 HydrophobicContact CG-CD1 4.24Å; R544-F594 HydrophobicContact CG-CE1 3.84Å; R544-F594 HydrophobicContact CG-CZ 4.18Å; L547-F594 HydrophobicContact CD1-CD1 3.74Å; L547-F594 HydrophobicContact CD1-CE1 4.4Å; T585-F594 HydrophobicContact CG2-CE1 4Å; T585-F594 HydrophobicContact CG2-CE2 4.02Å; T585-F594 HydrophobicContact CG2-CZ 3.57Å; K588-F594 HydrophobicContact CB-CD2 3.76Å; K588-F594 HydrophobicContact CB-CE2 4.18Å; K588-F594 HydrophobicContact CD-CD2 4.1Å; K588-F594 HydrophobicContact CD-CE2 3.86Å; L589-F594 HydrophobicContact CD2-CB 3.84Å; L589-F594 HydrophobicContact CD2-CD1 4.03Å; L589-F594 HydrophobicContact CD2-CG 4.02Å; F594-G596 VanDerWaalsContact C-N 3.27Å; F594-G596 PolarHBondContact O-N 3.23Å; F594-A597 PolarHBondContact N-O 3.13Å; F594-A597 WeakPolarHBondContact O-CB 3.21Å; F594-A597 PolarHBondContact O-N 3.22Å; F594-V599 HydrophobicContact CB-CG2 4.44Å |
| 595 | G | 76.2 | Confident | 91.7 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 18.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | A548 | A548-G595 WeakPolarHBondContact CB-O 3.49Š|
| 596 | G | 83.9 | Confident | 91.6 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -17.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y593 F594 | Y593-G596 WeakPolarHBondContact CE2-O 3.34Å; Y593-G596 VanDerWaalsContact CZ-C 3.47Å; Y593-G596 WeakPolarHBondContact OH-CA 3.28Å; Y593-G596 PolarHBondContact OH-O 3.41Å; F594-G596 VanDerWaalsContact C-N 3.27Å; F594-G596 PolarHBondContact O-N 3.23Å |
| 597 | A | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L547 C551 Y593 F594 V599 | L547-A597 HydrophobicContact CB-CB 4.22Å; L547-A597 WeakPolarHBondContact O-CB 3.4Å; C551-A597 HydrophobicContact CB-CB 3.67Å; Y593-A597 WeakPolarHBondContact CA-O 3.22Å; Y593-A597 WeakPolarHBondContact CD2-O 3.31Å; F594-A597 PolarHBondContact N-O 3.13Å; F594-A597 WeakPolarHBondContact O-CB 3.21Å; F594-A597 PolarHBondContact O-N 3.22Å; A597-V599 HydrophobicContact CB-CG2 4.3Å |
| 598 | R | 93.9 | Very high | 91.6 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.4 | 164.9 | -64 | -171.9 | -162.8 | 160.2 | 15 | 108.9 | D437 V439 V440 Y593 | D437-R598 VanDerWaalsContact CG-CZ 3.5Å; D437-R598 VanDerWaalsContact CG-NH1 3.28Å; D437-R598 IonicContact OD1-NH2 2.82Å; D437-R598 PolarHBondContact OD1-NH2 3.02Å; D437-R598 IonicContact OD2-CZ 3.69Å; D437-R598 IonicContact OD2-NH1 2.86Å; D437-R598 PolarHBondContact OD2-NH1 2.93Å; D437-R598 IonicContact OD2-NH2 3.29Å; D437-R598 PolarHBondContact OD2-NH2 3.43Å; V439-R598 HydrophobicContact CG2-CB 4.35Å; V440-R598 PolarHBondContact N-O 2.84Å; Y593-R598 HydrophobicContact CD2-CG 4.17Å; Y593-R598 HydrophobicContact CE2-CG 4.48Å |
| 599 | V | 95.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.6 | -174.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | V440 V442 L547 L589 G592 F594 A597 | V440-V599 CarbonylContact O-C 3.49Å; V440-V599 VanDerWaalsContact O-CA 3.27Å; V440-V599 WeakPolarHBondContact O-CA 3.41Å; V442-V599 HydrophobicContact CB-CG1 4.06Å; V442-V599 HydrophobicContact CG2-CG1 3.55Å; L547-V599 HydrophobicContact CD1-CG2 4.31Å; L589-V599 HydrophobicContact CD2-CB 4.46Å; L589-V599 HydrophobicContact CD2-CG1 3.91Å; L589-V599 HydrophobicContact CD2-CG2 4.34Å; G592-V599 CarbonylContact C-O 3.55Å; G592-V599 VanDerWaalsContact CA-O 3.28Å; G592-V599 WeakPolarHBondContact CA-O 3.38Å; G592-V599 PolarHBondContact O-N 2.89Å; F594-V599 HydrophobicContact CB-CG2 4.44Å; A597-V599 HydrophobicContact CB-CG2 4.3Å |
| 600 | K | 95.9 | Very high | 91.6 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111 | 166.4 | -175.3 | 176.8 | 179.6 | -173.8 | 0 | 109.2 | V439 V440 Q441 V442 F607 | V439-K600 HydrophobicContact CG1-CB 3.92Å; V440-K600 PolarHBondContact O-N 3.41Å; Q441-K600 WeakPolarHBondContact CA-O 3.5Å; V442-K600 PolarHBondContact N-O 2.94Å; K600-F607 HydrophobicContact CD-CE1 3.98Å; K600-F607 HydrophobicContact CG-CE1 4.12Å; K600-F607 HydrophobicContact CG-CZ 4.24Å; K600-F607 WeakPolarHBondContact O-CZ 3.49Å |
| 601 | L | 95.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 139.8 | 170 | -170.7 | 72.1 | 0 | 0 | 0 | 110 | V442 V444 E590 | V442-L601 HydrophobicContact CB-CD1 4.41Å; V442-L601 HydrophobicContact CG1-CD1 4.25Å; V442-L601 WeakPolarHBondContact O-CA 3.44Å; V444-L601 HydrophobicContact CB-CD1 4.38Å; V444-L601 HydrophobicContact CG2-CD1 3.63Å; E590-L601 HydrophobicContact CG-CD2 3.48Å; E590-L601 VanDerWaalsContact CG-CD2 3.48Å |
| 602 | G | 94 | Very high | 91.8 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | trans | 179.3 | 179.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | V442 F607 | V442-G602 PolarHBondContact O-N 3.24Å; G602-F607 VanDerWaalsContact CA-CZ 3.47Å | ||
| 603 | N | 93.3 | Very high | 92 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | trans | -78.7 | 150.2 | 177.5 | -65.6 | -50.2 | 0 | 0 | 0 | 111.3 | Q463 S605 E606 | Q463-N603 WeakPolarHBondContact CG-OD1 3.44Å; Q463-N603 PolarHBondContact OE1-OD1 3.22Å; N603-S605 VanDerWaalsContact C-N 3.26Å; N603-S605 PolarHBondContact O-N 3.11Å; N603-E606 HydrophobicContact CB-CG 4.15Å; N603-E606 PolarHBondContact ND2-OE1 3.43Å; N603-E606 WeakPolarHBondContact O-CB 3.35Å; N603-E606 PolarHBondContact O-N 2.96Å | ||
| 604 | L | 90.4 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -38.2 | -177.8 | -165.6 | 56.7 | 0 | 0 | 0 | 112.1 | T443 I471 L510 T519 T561 E606 F607 L608 | T443-L604 HydrophobicContact CG2-CB 4.01Å; I471-L604 HydrophobicContact CB-CD2 4.26Å; I471-L604 HydrophobicContact CD1-CB 4.48Å; I471-L604 HydrophobicContact CD1-CD2 3.8Å; I471-L604 HydrophobicContact CD1-CG 3.95Å; I471-L604 HydrophobicContact CG2-CD2 3.65Å; L510-L604 HydrophobicContact CD2-CD1 4.32Å; T519-L604 HydrophobicContact CG2-CD2 3.92Å; T561-L604 HydrophobicContact CG2-CD1 3.9Å; L604-E606 PolarHBondContact O-N 3.47Å; L604-F607 PolarHBondContact O-N 3.28Å; L604-F607 VanDerWaalsContact O-N 3.1Å; L604-L608 PolarHBondContact O-N 3Å |
| 605 | S | 90 | Very high | 92 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -29.5 | 177.1 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | N603 F607 | N603-S605 VanDerWaalsContact C-N 3.26Å; N603-S605 PolarHBondContact O-N 3.11Å; S605-F607 VanDerWaalsContact C-N 3.31Å |
| 606 | E | 92.1 | Very high | 92.7 | Very high | 102 Ų | 102 | 47.2 Ų | 47.2 | 48% | 0.477 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -76.3 | -23.1 | 178.7 | -65 | 169.4 | -154.5 | 0 | 0 | 112.2 | N603 L604 | N603-E606 HydrophobicContact CB-CG 4.15Å; N603-E606 PolarHBondContact ND2-OE1 3.43Å; N603-E606 WeakPolarHBondContact O-CB 3.35Å; N603-E606 PolarHBondContact O-N 2.96Å; L604-E606 PolarHBondContact O-N 3.47Å |
| 607 | F | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -92.1 | -19.4 | -176.9 | -60.9 | -31.3 | 0 | 0 | 0 | 113.5 | Q441 T561 K600 G602 L604 S605 T609 T610 S611 | Q441-F607 HydrophobicContact CB-CD1 4.29Å; Q441-F607 HydrophobicContact CB-CD2 3.8Å; Q441-F607 HydrophobicContact CB-CE1 4.31Å; Q441-F607 HydrophobicContact CB-CE2 3.82Å; Q441-F607 HydrophobicContact CB-CG 4.02Å; Q441-F607 HydrophobicContact CB-CZ 4.06Å; Q441-F607 HydrophobicContact CG-CD1 4.1Å; Q441-F607 HydrophobicContact CG-CD2 4.48Å; Q441-F607 HydrophobicContact CG-CE1 4.19Å; Q441-F607 HydrophobicContact CG-CG 4.23Å; Q441-F607 HydrophobicContact CG-CZ 4.39Å; T561-F607 HydrophobicContact CG2-CB 4.39Å; T561-F607 HydrophobicContact CG2-CD2 4.22Å; K600-F607 HydrophobicContact CD-CE1 3.98Å; K600-F607 HydrophobicContact CG-CE1 4.12Å; K600-F607 HydrophobicContact CG-CZ 4.24Å; K600-F607 WeakPolarHBondContact O-CZ 3.49Å; G602-F607 VanDerWaalsContact CA-CZ 3.47Å; L604-F607 PolarHBondContact O-N 3.28Å; L604-F607 VanDerWaalsContact O-N 3.1Å; S605-F607 VanDerWaalsContact C-N 3.31Å; F607-T609 PolarHBondContact O-N 3.49Å; F607-T610 PolarHBondContact O-N 3.43Å; F607-T610 PolarHBondContact O-OG1 3.11Å; F607-S611 PolarHBondContact O-N 3.37Å; F607-S611 PolarHBondContact O-OG 3.44Å |
| 608 | L | 92.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -31.8 | -176.9 | -66.3 | -179.3 | 0 | 0 | 0 | 115.3 | I471 L510 I517 L604 Y613 | I471-L608 HydrophobicContact CD1-CD1 4.27Å; I471-L608 HydrophobicContact CD1-CD2 3.9Å; L510-L608 HydrophobicContact CD1-CD2 3.76Å; I517-L608 HydrophobicContact CD1-CD2 4.34Å; L604-L608 PolarHBondContact O-N 3Å; L608-Y613 VanDerWaalsContact CA-OH 3.3Å; L608-Y613 WeakPolarHBondContact CA-OH 3.5Å; L608-Y613 WeakPolarHBondContact CB-OH 3.05Å; L608-Y613 WeakPolarHBondContact CD2-OH 3.22Å; L608-Y613 WeakPolarHBondContact O-CE2 3.4Å; L608-Y613 VanDerWaalsContact O-CZ 3.27Å; L608-Y613 PolarHBondContact O-OH 3.14Å |
| 609 | T | 93 | Very high | 91.6 | Very high | 135 Ų | 135 | 42.4 Ų | 42.4 | 83% | 0.828 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -13.5 | -179.6 | 54.5 | 0 | 0 | 0 | 0 | 114 | F607 | F607-T609 PolarHBondContact O-N 3.49Š|
| 610 | T | 94.4 | Very high | 90.7 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -18.5 | -173 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | Q441 R559 F607 | Q441-T610 PolarHBondContact NE2-OG1 3.17Å; R559-T610 PolarHBondContact N-O 3.41Å; F607-T610 PolarHBondContact O-N 3.43Å; F607-T610 PolarHBondContact O-OG1 3.11Å |
| 611 | S | 94.7 | Very high | 89 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -69.8 | 155.4 | 176.7 | -57 | 0 | 0 | 0 | 0 | 111.9 | Q441 T561 F607 Y613 | Q441-S611 PolarHBondContact OE1-OG 3.11Å; T561-S611 VanDerWaalsContact OG1-CB 3.31Å; T561-S611 WeakPolarHBondContact OG1-CB 3.47Å; T561-S611 PolarHBondContact OG1-OG 2.83Å; F607-S611 PolarHBondContact O-N 3.37Å; F607-S611 PolarHBondContact O-OG 3.44Å; S611-Y613 WeakPolarHBondContact O-CD2 3.49Å |
| 612 | F | 93.6 | Very high | 87.1 | Confident | 30 Ų | 30 | 48 Ų | 48 | 13% | 0.132 | 26% | 0.262 | C | S | . | . | trans | -76.6 | 139.8 | 168.8 | -177.3 | -84.9 | 0 | 0 | 0 | 111.4 | K509 L510 W554 M556 T557 R559 T614 | K509-F612 HydrophobicContact CB-CD1 4.22Å; K509-F612 HydrophobicContact CD-CD1 3.82Å; K509-F612 HydrophobicContact CD-CE1 3.85Å; K509-F612 HydrophobicContact CG-CD1 4.03Å; L510-F612 PolarHBondContact N-O 3.12Å; W554-F612 HydrophobicContact CH2-CB 4.32Å; W554-F612 HydrophobicContact CZ2-CB 3.67Å; W554-F612 HydrophobicContact CZ2-CG 4.29Å; M556-F612 HydrophobicContact CB-CD2 3.55Å; M556-F612 HydrophobicContact CB-CE2 3.6Å; M556-F612 HydrophobicContact CB-CG 4.33Å; M556-F612 HydrophobicContact CB-CZ 4.37Å; M556-F612 HydrophobicContact CE-CB 4.09Å; M556-F612 HydrophobicContact CE-CD1 3.49Å; M556-F612 VanDerWaalsContact CE-CD1 3.49Å; M556-F612 HydrophobicContact CE-CD2 3.76Å; M556-F612 HydrophobicContact CE-CE1 3.79Å; M556-F612 HydrophobicContact CE-CE2 4.07Å; M556-F612 HydrophobicContact CE-CG 3.49Å; M556-F612 VanDerWaalsContact CE-CG 3.49Å; M556-F612 HydrophobicContact CE-CZ 4.07Å; M556-F612 HydrophobicContact CG-CD2 4.48Å; M556-F612 HydrophobicContact CG-CE2 4.24Å; M556-F612 HydrophobicContact SD-CD1 4.25Å; M556-F612 HydrophobicContact SD-CD2 4.26Å; M556-F612 HydrophobicContact SD-CE1 3.91Å; M556-F612 HydrophobicContact SD-CE2 3.97Å; M556-F612 HydrophobicContact SD-CG 4.43Å; M556-F612 HydrophobicContact SD-CZ 3.77Å; T557-F612 VanDerWaalsContact O-CD2 3.24Å; T557-F612 WeakPolarHBondContact O-CD2 3.43Å; R559-F612 PolarHBondContact O-N 2.91Å; F612-T614 WeakPolarHBondContact CE1-OG1 3.35Å | ||
| 613 | Y | 93.2 | Very high | 85.2 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.9 | 175 | -71.6 | -97.9 | 0 | 0 | 0 | 112 | L510 V512 I517 L608 S611 | L510-Y613 HydrophobicContact CB-CD1 3.75Å; L510-Y613 HydrophobicContact CB-CE1 3.76Å; L510-Y613 HydrophobicContact CB-CG 4.28Å; L510-Y613 HydrophobicContact CD1-CE1 3.77Å; L510-Y613 HydrophobicContact CD1-CE2 4.08Å; L510-Y613 HydrophobicContact CG-CE1 4.44Å; L510-Y613 CarbonylContact O-C 3.57Å; L510-Y613 VanDerWaalsContact O-CA 3.29Å; L510-Y613 WeakPolarHBondContact O-CA 3.49Å; V512-Y613 HydrophobicContact CG2-CD1 3.74Å; V512-Y613 HydrophobicContact CG2-CE1 4.38Å; I517-Y613 HydrophobicContact CD1-CE1 4.25Å; I517-Y613 HydrophobicContact CG2-CE1 4.43Å; L608-Y613 VanDerWaalsContact CA-OH 3.3Å; L608-Y613 WeakPolarHBondContact CA-OH 3.5Å; L608-Y613 WeakPolarHBondContact CB-OH 3.05Å; L608-Y613 WeakPolarHBondContact CD2-OH 3.22Å; L608-Y613 WeakPolarHBondContact O-CE2 3.4Å; L608-Y613 VanDerWaalsContact O-CZ 3.27Å; L608-Y613 PolarHBondContact O-OH 3.14Å; S611-Y613 WeakPolarHBondContact O-CD2 3.49Å |
| 614 | T | 91.9 | Very high | 82.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.2 | 165.6 | -100.5 | 0 | 0 | 0 | 0 | 109.1 | L510 Y511 V512 F612 L616 | L510-T614 PolarHBondContact O-N 3.09Å; Y511-T614 CarbonylContact C-O 3.43Å; Y511-T614 WeakPolarHBondContact CA-O 3.42Å; Y511-T614 HydrophobicContact CD1-CG2 3.56Å; Y511-T614 HydrophobicContact CE1-CG2 3.61Å; V512-T614 PolarHBondContact N-O 3.38Å; F612-T614 WeakPolarHBondContact CE1-OG1 3.35Å; T614-L616 HydrophobicContact CG2-CD2 3.4Å; T614-L616 VanDerWaalsContact CG2-CD2 3.4Å; T614-L616 HydrophobicContact CG2-CG 4.12Å |
| 615 | Y | 91.1 | Very high | 81.1 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 38% | 0.384 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.7 | 178.1 | -66.9 | -98.1 | 0 | 0 | 0 | 110.1 | H229 V512 T617 | H229-Y615 PolarHBondContact CE1-O 3.1Å; H229-Y615 VanDerWaalsContact CE1-O 3.3Å; V512-Y615 HydrophobicContact CB-CD1 3.62Å; V512-Y615 HydrophobicContact CB-CE1 3.82Å; V512-Y615 HydrophobicContact CB-CG 4.3Å; V512-Y615 HydrophobicContact CG1-CD1 3.89Å; V512-Y615 HydrophobicContact CG1-CE1 3.93Å; V512-Y615 HydrophobicContact CG2-CD1 4.1Å; V512-Y615 HydrophobicContact CG2-CE1 3.85Å; Y615-T617 PolarHBondContact O-N 2.96Å |
| 616 | L | 90.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | trans | -99.2 | 68.1 | -179.3 | -53.7 | -175.6 | 0 | 0 | 0 | 111.1 | I482 Y483 Y511 V512 I513 T614 F618 L619 | I482-L616 HydrophobicContact CG2-CD1 3.71Å; Y483-L616 HydrophobicContact CE2-CD1 4.49Å; Y483-L616 HydrophobicContact CE2-CD2 4.37Å; Y511-L616 HydrophobicContact CD1-CD1 3.7Å; Y511-L616 HydrophobicContact CD1-CD2 4.05Å; Y511-L616 HydrophobicContact CD1-CG 3.89Å; Y511-L616 HydrophobicContact CE1-CD1 4.35Å; Y511-L616 HydrophobicContact CE1-CD2 4.32Å; V512-L616 PolarHBondContact O-N 3.02Å; I513-L616 HydrophobicContact CD1-CD1 3.91Å; I513-L616 HydrophobicContact CG1-CB 4.2Å; I513-L616 HydrophobicContact CG1-CD1 4.09Å; I513-L616 HydrophobicContact CG1-CG 4.37Å; T614-L616 HydrophobicContact CG2-CD2 3.4Å; T614-L616 VanDerWaalsContact CG2-CD2 3.4Å; T614-L616 HydrophobicContact CG2-CG 4.12Å; L616-F618 VanDerWaalsContact C-N 3.25Å; L616-F618 HydrophobicContact CB-CD1 4.36Å; L616-F618 HydrophobicContact CB-CE1 3.82Å; L616-F618 HydrophobicContact CB-CZ 4.27Å; L616-F618 HydrophobicContact CD2-CE1 3.87Å; L616-F618 HydrophobicContact CD2-CZ 4.48Å; L616-F618 HydrophobicContact CG-CE1 4.3Å; L616-F618 PolarHBondContact O-N 2.91Å; L616-L619 PolarHBondContact O-N 3.39Å | ||
| 617 | T | 83.1 | Confident | 77.4 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -74.1 | -10.8 | -174.1 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | R224 Y615 L619 D620 | R224-T617 HydrophobicContact CB-CG2 3.64Å; R224-T617 WeakPolarHBondContact CB-OG1 3.23Å; R224-T617 HydrophobicContact CG-CG2 4.23Å; R224-T617 PolarHBondContact O-OG1 3.36Å; Y615-T617 PolarHBondContact O-N 2.96Å; T617-L619 PolarHBondContact O-N 3.08Å; T617-L619 VanDerWaalsContact O-N 3.15Å; T617-D620 WeakPolarHBondContact CB-OD2 3.43Å; T617-D620 WeakPolarHBondContact O-CB 3.33Å; T617-D620 PolarHBondContact O-N 3.42Å; T617-D620 VanDerWaalsContact O-N 3.08Å |
| 618 | F | 83.6 | Confident | 75.1 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -66.3 | -12.1 | 173.6 | 64.5 | -93.3 | 0 | 0 | 0 | 113.1 | I482 K485 L486 L616 C623 | I482-F618 HydrophobicContact CG2-CE2 4.49Å; I482-F618 HydrophobicContact CG2-CZ 4.13Å; K485-F618 HydrophobicContact CB-CE2 4.31Å; L486-F618 HydrophobicContact CB-CE1 4.33Å; L486-F618 HydrophobicContact CB-CE2 4.25Å; L486-F618 HydrophobicContact CB-CZ 4.08Å; L486-F618 HydrophobicContact CD1-CD1 3.6Å; L486-F618 HydrophobicContact CD1-CE1 3.77Å; L486-F618 HydrophobicContact CD1-CG 4.04Å; L486-F618 HydrophobicContact CD1-CZ 4.36Å; L616-F618 VanDerWaalsContact C-N 3.25Å; L616-F618 HydrophobicContact CB-CD1 4.36Å; L616-F618 HydrophobicContact CB-CE1 3.82Å; L616-F618 HydrophobicContact CB-CZ 4.27Å; L616-F618 HydrophobicContact CD2-CE1 3.87Å; L616-F618 HydrophobicContact CD2-CZ 4.48Å; L616-F618 HydrophobicContact CG-CE1 4.3Å; L616-F618 PolarHBondContact O-N 2.91Å; F618-C623 PolarHBondContact O-SG 3.31Å |
| 619 | L | 80.1 | Confident | 72.7 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -94.3 | 2.3 | 173.8 | -64.1 | 177.1 | 0 | 0 | 0 | 113.7 | I482 I513 R514 L616 T617 L627 L660 | I482-L619 HydrophobicContact CG2-CD1 3.71Å; I513-L619 HydrophobicContact CD1-CD1 4.38Å; I513-L619 HydrophobicContact CG2-CB 4.06Å; I513-L619 HydrophobicContact CG2-CD1 3.62Å; I513-L619 HydrophobicContact CG2-CG 4.5Å; R514-L619 PolarHBondContact NE-O 2.94Å; R514-L619 PolarHBondContact NH2-O 3.17Å; L616-L619 PolarHBondContact O-N 3.39Å; T617-L619 PolarHBondContact O-N 3.08Å; T617-L619 VanDerWaalsContact O-N 3.15Å; L619-L627 HydrophobicContact CD2-CD2 4Å; L619-L660 HydrophobicContact CD1-CD1 4.32Å |
| 620 | D | 77.6 | Confident | 70 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -68.3 | 146.3 | -179.1 | -70.4 | -21.1 | 0 | 0 | 0 | 111.4 | T617 D622 C623 | T617-D620 WeakPolarHBondContact CB-OD2 3.43Å; T617-D620 WeakPolarHBondContact O-CB 3.33Å; T617-D620 PolarHBondContact O-N 3.42Å; T617-D620 VanDerWaalsContact O-N 3.08Å; D620-D622 PolarHBondContact O-N 3.42Å; D620-C623 WeakPolarHBondContact O-CB 3.41Å; D620-C623 PolarHBondContact O-N 3.38Å; D620-C623 VanDerWaalsContact O-N 3.13Å |
| 621 | P | 59.5 | Low | 67.2 | Low | 95 Ų | 95 | 67.1 Ų | 67.1 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.3 | -170.8 | 22.8 | -33.1 | 0 | 0 | 0 | 115.5 | C623 | P621-C623 PolarHBondContact O-N 3.09Š|
| 622 | D | 56.2 | Low | 64.5 | Low | 132 Ų | 132 | 71.4 Ų | 71.4 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 15.1 | 174 | -60.2 | -28.9 | 0 | 0 | 0 | 113 | K225 D620 | K225-D622 PolarHBondContact NZ-O 2.78Å; D620-D622 PolarHBondContact O-N 3.42Å |
| 623 | C | 53.1 | Low | 61.5 | Low | 44 Ų | 44 | 78.6 Ų | 78.6 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -92.4 | 124.2 | 168.9 | -71.8 | 0 | 0 | 0 | 0 | 107.6 | F618 D620 P621 E625 | F618-C623 PolarHBondContact O-SG 3.31Å; D620-C623 WeakPolarHBondContact O-CB 3.41Å; D620-C623 PolarHBondContact O-N 3.38Å; D620-C623 VanDerWaalsContact O-N 3.13Å; P621-C623 PolarHBondContact O-N 3.09Å; C623-E625 PolarHBondContact O-N 3.4Å |
| 624 | D | 45 | Very low | 58.7 | Low | 179 Ų | 179 | 79.4 Ų | 79.4 | 96% | 0.957 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -60.4 | 8.6 | -175.1 | -68.8 | -47.9 | 0 | 0 | 0 | 115.4 | ||
| 625 | E | 52.1 | Low | 55.7 | Low | 62 Ų | 62 | 85.4 Ų | 85.4 | 29% | 0.29 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -111.1 | 120.9 | 178.3 | -77.9 | -168.5 | 145.5 | 0 | 0 | 111.8 | R488 K490 C623 | R488-E625 WeakPolarHBondContact CD-OE2 3.35Å; R488-E625 IonicContact CZ-OE1 3.77Å; R488-E625 IonicContact NE-OE1 2.68Å; R488-E625 IonicContact NH1-OE1 2.71Å; R488-E625 IonicContact NH1-OE2 3.86Å; K490-E625 HydrophobicContact CD-CG 4.22Å; K490-E625 WeakPolarHBondContact CD-OE1 3.44Å; K490-E625 WeakPolarHBondContact CE-OE1 3.37Å; K490-E625 VanDerWaalsContact CG-OE1 3.29Å; K490-E625 WeakPolarHBondContact CG-OE1 3.32Å; K490-E625 IonicContact NZ-OE1 2.72Å; C623-E625 PolarHBondContact O-N 3.4Å |
| 626 | K | 51.5 | Low | 52.7 | Low | 146 Ų | 146 | 90.7 Ų | 90.7 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | trans | -58.7 | 137.8 | 162.4 | -65.5 | -178.2 | -179.8 | -179.5 | 0 | 109.2 | F628 | K626-F628 WeakPolarHBondContact CB-O 3.34Å; K626-F628 PolarHBondContact O-N 3.17Å | ||
| 627 | L | 54 | Low | 49.9 | Very low | 20 Ų | 20 | 94.7 Ų | 94.7 | 11% | 0.105 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -60.9 | -25.4 | 172.7 | -76.5 | 164 | 0 | 0 | 0 | 112.1 | L619 E659 L660 | L619-L627 HydrophobicContact CD2-CD2 4Å; L627-E659 HydrophobicContact CD1-CB 3.93Å; L627-L660 HydrophobicContact CD1-CB 4.12Å; L627-L660 HydrophobicContact CD1-CD1 4.45Å |
| 628 | F | 45.8 | Very low | 47.6 | Very low | 91 Ų | 91 | 99.8 Ų | 99.8 | 40% | 0.399 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -94.2 | 111.9 | 168.3 | -62.8 | -86.7 | 0 | 0 | 0 | 110 | K626 Q662 | K626-F628 WeakPolarHBondContact CB-O 3.34Å; K626-F628 PolarHBondContact O-N 3.17Å; F628-Q662 HydrophobicContact CE2-CB 4.22Å; F628-Q662 HydrophobicContact CZ-CB 3.99Å |
| 629 | D | 42.9 | Very low | 45.1 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | trans | -82.1 | 138 | 153.5 | -84.1 | -50.2 | 0 | 0 | 0 | 107.7 | R488 K490 | R488-D629 IonicContact CZ-OD2 3.07Å; R488-D629 IonicContact NH1-OD2 2.69Å; R488-D629 PolarHBondContact NH1-OD2 2.61Å; R488-D629 IonicContact NH2-OD2 3.84Å; R488-D629 PolarHBondContact NH2-OD2 2.75Å; K490-D629 IonicContact NZ-OD1 3.85Å; K490-D629 PolarHBondContact NZ-OD1 3.13Å | ||
| 630 | D | 36.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 79% | 0.786 | 62% | 0.623 | S | S | * | * | trans | -48.7 | 144.3 | 169.3 | -79.3 | -42.7 | 0 | 0 | 0 | 109.9 | S632 | D630-S632 VanDerWaalsContact C-N 3.25Å; D630-S632 PolarHBondContact O-N 3.26Å | ||
| 631 | A | 35.9 | Very low | 40.5 | Very low | 112 Ų | 112 | 112.9 Ų | 112.9 | 93% | 0.926 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -58.4 | 76.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 632 | S | 36.9 | Very low | 39.2 | Very low | 99 Ų | 99 | 113 Ų | 113 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | trans | -169.4 | 64.6 | 169.3 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | D630 | D630-S632 VanDerWaalsContact C-N 3.25Å; D630-S632 PolarHBondContact O-N 3.26Å | ||
| 633 | E | 31.4 | Very low | 37.9 | Very low | 181 Ų | 181 | 113.6 Ų | 113.6 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -164.6 | 132.9 | 148.2 | -110.8 | 173 | -152.8 | 0 | 0 | 110.3 | T635 | E633-T635 PolarHBondContact O-N 3.43Š|
| 634 | G | 33.3 | Very low | 36.8 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | -65.5 | 115 | -154.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 635 | T | 29.5 | Very low | 36 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -87.1 | 121.9 | 152.6 | -53.9 | 0 | 0 | 0 | 0 | 107 | E633 S637 | E633-T635 PolarHBondContact O-N 3.43Å; T635-S637 PolarHBondContact O-N 3.33Å | ||
| 636 | F | 28.7 | Very low | 34.8 | Very low | 209 Ų | 209 | 117.2 Ų | 117.2 | 92% | 0.917 | 69% | 0.692 | S | S | * | * | trans | -64.5 | 85.9 | 164.6 | -85.9 | -93.2 | 0 | 0 | 0 | 109 | ||||
| 637 | S | 31.8 | Very low | 33.8 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | -95.2 | 131.3 | 146.9 | -78.7 | 0 | 0 | 0 | 0 | 106.9 | T635 D639 | T635-S637 PolarHBondContact O-N 3.33Å; S637-D639 PolarHBondContact O-N 3.03Å | ||
| 638 | P | 33.1 | Very low | 32.6 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -69.6 | 125.8 | 157.6 | 30.3 | -26.2 | 0 | 0 | 0 | 106.3 | ||
| 639 | D | 32.3 | Very low | 31.7 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 47% | 0.465 | 77% | 0.769 | S | S | . | * | S | Bend | trans | 79.7 | 97.3 | -179.5 | -54.2 | -24.4 | 0 | 0 | 0 | 115.8 | S637 Q804 | S637-D639 PolarHBondContact O-N 3.03Å; D639-Q804 PolarHBondContact OD2-OE1 3.46Å |
| 640 | S | 34.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | 176.6 | 111.1 | 112.2 | -72.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 641 | D | 26.4 | Very low | 30.6 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -99.4 | 143.4 | 163.7 | -104.2 | -18.6 | 0 | 0 | 0 | 110 | ||||
| 642 | S | 32.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 84.5 | 107.6 | 158.9 | -174.9 | 0 | 0 | 0 | 0 | 119.5 | ||
| 643 | D | 28.8 | Very low | 29.8 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | 64.2 | 102.6 | 132.6 | -54.3 | -39.1 | 0 | 0 | 0 | 120.1 | ||||
| 644 | L | 29.7 | Very low | 29.9 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -124.6 | 88.8 | 153.9 | -159.4 | 74.7 | 0 | 0 | 0 | 110.7 | ||||
| 645 | V | 28.4 | Very low | 30 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -80.1 | 125.1 | 154.6 | 172.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 646 | G | 28.2 | Very low | 30.6 | Very low | 44 Ų | 44 | 145.1 Ų | 145.1 | 45% | 0.454 | 80% | 0.799 | S | S | . | * | trans | 121.4 | 114.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 647 | Y | 29.3 | Very low | 31.7 | Very low | 236 Ų | 236 | 141.4 Ų | 141.4 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | 106.1 | 80 | 147.4 | -57.6 | -73 | 0 | 0 | 0 | 116.9 | ||||
| 648 | L | 29.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | -68.9 | 117.9 | 145.6 | -80.7 | 157 | 0 | 0 | 0 | 108 | ||||
| 649 | E | 27.4 | Very low | 35.7 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -105.9 | 119.9 | 159 | -131.9 | 176.9 | -171.6 | 0 | 0 | 108.3 | ||||
| 650 | D | 29.9 | Very low | 38 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -52.7 | 129.2 | -178.8 | -78 | -50.1 | 0 | 0 | 0 | 112.8 | ||||
| 651 | T | 26.2 | Very low | 40.3 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | trans | -145.9 | 116 | 137.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 652 | C | 28.9 | Very low | 43 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | trans | -65.1 | 125 | -173 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 653 | N | 26.8 | Very low | 45.4 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | trans | -150.9 | 88.8 | 142.9 | -91 | -22 | 0 | 0 | 0 | 108.1 | E655 | N653-E655 PolarHBondContact O-N 3.47Å; N653-E655 VanDerWaalsContact O-N 3.17Å | ||
| 654 | Q | 33.6 | Very low | 48 | Very low | 186 Ų | 186 | 115.7 Ų | 115.7 | 87% | 0.869 | 61% | 0.609 | S | S | * | * | trans | -74.2 | 92.4 | 170.5 | -86.7 | 173.4 | -31.4 | 0 | 0 | 109.9 | ||||
| 655 | E | 35.1 | Very low | 50.6 | Low | 177 Ų | 177 | 111 Ų | 111 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | trans | -115.6 | 131.5 | 140.9 | -76 | -173.4 | 167.9 | 0 | 0 | 106.3 | N653 Q657 | N653-E655 PolarHBondContact O-N 3.47Å; N653-E655 VanDerWaalsContact O-N 3.17Å; E655-Q657 PolarHBondContact O-N 3.38Å | ||
| 656 | S | 42.3 | Very low | 53.3 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 87% | 0.874 | 57% | 0.566 | S | S | * | * | trans | -55.5 | 91.6 | -178.1 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | D658 | S656-D658 PolarHBondContact O-N 3.31Š| ||
| 657 | Q | 51.3 | Low | 55.8 | Low | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 55% | 0.55 | S | S | * | . | trans | -68.2 | 126.1 | 171.8 | -83.6 | -178 | -26.7 | 0 | 0 | 109.1 | E655 E659 Q662 | E655-Q657 PolarHBondContact O-N 3.38Å; Q657-E659 PolarHBondContact O-N 2.73Å; Q657-Q662 HydrophobicContact CB-CG 4.25Å; Q657-Q662 PolarHBondContact O-NE2 3.41Å | ||
| 658 | D | 71 | Confident | 58.3 | Low | 41 Ų | 41 | 99.1 Ų | 99.1 | 22% | 0.219 | 52% | 0.518 | C | S | . | . | trans | -52.4 | 132.5 | 176.9 | -171 | -21.4 | 0 | 0 | 0 | 110.2 | R514 S656 L660 D661 Q662 | R514-D658 IonicContact CZ-OD1 2.81Å; R514-D658 IonicContact NH1-OD1 3.37Å; R514-D658 PolarHBondContact NH1-OD1 2.91Å; R514-D658 IonicContact NH1-OD2 3.67Å; S656-D658 PolarHBondContact O-N 3.31Å; D658-L660 PolarHBondContact O-N 3.01Å; D658-L660 VanDerWaalsContact O-N 3.13Å; D658-L660 PolarHBondContact OD1-N 3.5Å; D658-L660 VanDerWaalsContact OD1-N 3.07Å; D658-D661 HydrophobicContact CB-CB 4.18Å; D658-D661 WeakPolarHBondContact CB-OD2 3.17Å; D658-D661 WeakPolarHBondContact O-CB 3.31Å; D658-D661 PolarHBondContact O-N 2.9Å; D658-Q662 PolarHBondContact O-N 2.86Å | ||
| 659 | E | 78.4 | Confident | 60.5 | Low | 82 Ų | 82 | 97 Ų | 97 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.7 | -32.6 | 176.8 | -68.9 | -174.7 | 172.4 | 0 | 0 | 112.1 | L627 Q657 Q662 Y663 | L627-E659 HydrophobicContact CD1-CB 3.93Å; Q657-E659 PolarHBondContact O-N 2.73Å; E659-Q662 PolarHBondContact O-N 2.92Å; E659-Y663 WeakPolarHBondContact O-CB 3.31Å; E659-Y663 PolarHBondContact O-N 3.31Å |
| 660 | L | 80.7 | Confident | 62.3 | Low | 3 Ų | 3 | 91.9 Ų | 91.9 | 2% | 0.016 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 176 | 179.7 | 64.1 | 0 | 0 | 0 | 111.6 | I513 F518 L619 L627 D658 Q662 Y663 I664 | I513-L660 HydrophobicContact CB-CD2 4.33Å; I513-L660 HydrophobicContact CG2-CD2 3.51Å; F518-L660 HydrophobicContact CZ-CD2 4.46Å; L619-L660 HydrophobicContact CD1-CD1 4.32Å; L627-L660 HydrophobicContact CD1-CB 4.12Å; L627-L660 HydrophobicContact CD1-CD1 4.45Å; D658-L660 PolarHBondContact O-N 3.01Å; D658-L660 VanDerWaalsContact O-N 3.13Å; D658-L660 PolarHBondContact OD1-N 3.5Å; D658-L660 VanDerWaalsContact OD1-N 3.07Å; L660-Q662 VanDerWaalsContact C-N 3.31Å; L660-Q662 PolarHBondContact O-N 3.33Å; L660-Y663 PolarHBondContact O-N 2.91Å; L660-I664 HydrophobicContact CD1-CD1 4.21Å; L660-I664 HydrophobicContact CD1-CG1 4.43Å; L660-I664 HydrophobicContact CG-CD1 4.05Å; L660-I664 WeakPolarHBondContact O-CG1 3.42Å; L660-I664 PolarHBondContact O-N 3.1Å |
| 661 | D | 82.6 | Confident | 63.8 | Low | 38 Ų | 38 | 86.6 Ų | 86.6 | 20% | 0.203 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.4 | -71 | -29.7 | 0 | 0 | 0 | 110.5 | Q472 D658 I664 N665 | Q472-D661 PolarHBondContact NE2-OD1 3.05Å; D658-D661 HydrophobicContact CB-CB 4.18Å; D658-D661 WeakPolarHBondContact CB-OD2 3.17Å; D658-D661 WeakPolarHBondContact O-CB 3.31Å; D658-D661 PolarHBondContact O-N 2.9Å; D661-I664 PolarHBondContact O-N 3.5Å; D661-N665 VanDerWaalsContact O-CB 3.24Å; D661-N665 WeakPolarHBondContact O-CB 3.38Å; D661-N665 PolarHBondContact O-N 3.35Å; D661-N665 PolarHBondContact O-ND2 3.01Å |
| 662 | Q | 82.9 | Confident | 65.4 | Low | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174 | -66.3 | -179.4 | 2.9 | 0 | 0 | 112 | F628 Q657 D658 E659 L660 N665 H666 | F628-Q662 HydrophobicContact CE2-CB 4.22Å; F628-Q662 HydrophobicContact CZ-CB 3.99Å; Q657-Q662 HydrophobicContact CB-CG 4.25Å; Q657-Q662 PolarHBondContact O-NE2 3.41Å; D658-Q662 PolarHBondContact O-N 2.86Å; E659-Q662 PolarHBondContact O-N 2.92Å; L660-Q662 VanDerWaalsContact C-N 3.31Å; L660-Q662 PolarHBondContact O-N 3.33Å; Q662-N665 PolarHBondContact O-N 2.98Å; Q662-H666 WeakPolarHBondContact O-CB 3.48Å; Q662-H666 PolarHBondContact O-N 2.76Å |
| 663 | Y | 81.9 | Confident | 66.8 | Low | 31 Ų | 31 | 83.5 Ų | 83.5 | 12% | 0.122 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 176.6 | 177.6 | -109.6 | 0 | 0 | 0 | 112.1 | E659 L660 H666 L667 | E659-Y663 WeakPolarHBondContact O-CB 3.31Å; E659-Y663 PolarHBondContact O-N 3.31Å; L660-Y663 PolarHBondContact O-N 2.91Å; Y663-H666 PolarHBondContact O-N 2.95Å; Y663-L667 HydrophobicContact CD1-CD1 4.04Å; Y663-L667 HydrophobicContact CE1-CD1 3.54Å; Y663-L667 HydrophobicContact CE1-CG 4.48Å; Y663-L667 HydrophobicContact CE2-CD1 4.25Å; Y663-L667 HydrophobicContact CE2-CG 4.41Å; Y663-L667 WeakPolarHBondContact O-CG 3.25Å; Y663-L667 PolarHBondContact O-N 3.4Å |
| 664 | I | 84.9 | Confident | 68.7 | Low | 3 Ų | 3 | 82.9 Ų | 82.9 | 2% | 0.015 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.9 | -67.3 | 171 | 0 | 0 | 0 | 110.4 | I478 F518 L660 D661 H666 L667 L668 | I478-I664 HydrophobicContact CG2-CG1 4.08Å; I478-I664 HydrophobicContact CG2-CG2 4.33Å; F518-I664 HydrophobicContact CE1-CD1 3.9Å; F518-I664 HydrophobicContact CZ-CD1 4.38Å; L660-I664 HydrophobicContact CD1-CD1 4.21Å; L660-I664 HydrophobicContact CD1-CG1 4.43Å; L660-I664 HydrophobicContact CG-CD1 4.05Å; L660-I664 WeakPolarHBondContact O-CG1 3.42Å; L660-I664 PolarHBondContact O-N 3.1Å; D661-I664 PolarHBondContact O-N 3.5Å; I664-H666 VanDerWaalsContact C-N 3.32Å; I664-H666 PolarHBondContact O-N 3.35Å; I664-L667 PolarHBondContact O-N 3.18Å; I664-L668 HydrophobicContact CG2-CD1 3.96Å; I664-L668 HydrophobicContact CG2-CG 4.39Å; I664-L668 WeakPolarHBondContact O-CG 3.47Å; I664-L668 PolarHBondContact O-N 2.55Å |
| 665 | N | 84.4 | Confident | 70.4 | Confident | 70 Ų | 70 | 79 Ų | 79 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 178.4 | -76.8 | -41.9 | 0 | 0 | 0 | 112.2 | D661 Q662 L668 Q669 | D661-N665 VanDerWaalsContact O-CB 3.24Å; D661-N665 WeakPolarHBondContact O-CB 3.38Å; D661-N665 PolarHBondContact O-N 3.35Å; D661-N665 PolarHBondContact O-ND2 3.01Å; Q662-N665 PolarHBondContact O-N 2.98Å; N665-L668 PolarHBondContact O-N 2.84Å; N665-Q669 WeakPolarHBondContact O-CB 3.47Å; N665-Q669 VanDerWaalsContact O-CG 3.25Å; N665-Q669 WeakPolarHBondContact O-CG 3.07Å; N665-Q669 PolarHBondContact O-N 3.03Å |
| 666 | H | 84.1 | Confident | 72.4 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.1 | 179.6 | -88.6 | 0 | 0 | 0 | 111.6 | Q662 Y663 I664 L668 Q669 S670 | Q662-H666 WeakPolarHBondContact O-CB 3.48Å; Q662-H666 PolarHBondContact O-N 2.76Å; Y663-H666 PolarHBondContact O-N 2.95Å; I664-H666 VanDerWaalsContact C-N 3.32Å; I664-H666 PolarHBondContact O-N 3.35Å; H666-L668 VanDerWaalsContact C-N 3.32Å; H666-L668 PolarHBondContact O-N 3.29Å; H666-Q669 PolarHBondContact O-N 3.02Å; H666-S670 PolarHBondContact O-N 3.28Å; H666-S670 PolarHBondContact O-OG 3.43Å |
| 667 | L | 81.3 | Confident | 74.1 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 176.7 | -69.9 | 175.1 | 0 | 0 | 0 | 112.9 | I478 H481 Y663 I664 S670 T671 | I478-L667 HydrophobicContact CD1-CB 3.71Å; I478-L667 HydrophobicContact CD1-CD1 4.08Å; H481-L667 HydrophobicContact CB-CD1 3.69Å; Y663-L667 HydrophobicContact CD1-CD1 4.04Å; Y663-L667 HydrophobicContact CE1-CD1 3.54Å; Y663-L667 HydrophobicContact CE1-CG 4.48Å; Y663-L667 HydrophobicContact CE2-CD1 4.25Å; Y663-L667 HydrophobicContact CE2-CG 4.41Å; Y663-L667 WeakPolarHBondContact O-CG 3.25Å; Y663-L667 PolarHBondContact O-N 3.4Å; I664-L667 PolarHBondContact O-N 3.18Å; L667-S670 PolarHBondContact O-OG 2.91Å; L667-T671 PolarHBondContact O-OG1 2.94Å |
| 668 | L | 81.1 | Confident | 75.2 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 175.1 | -68.4 | 172.3 | 0 | 0 | 0 | 111.1 | P475 I478 I664 N665 H666 S670 T671 | P475-L668 HydrophobicContact CG-CD2 4.27Å; I478-L668 HydrophobicContact CD1-CD2 4.17Å; I478-L668 HydrophobicContact CD1-CG 4.43Å; I478-L668 HydrophobicContact CG1-CD2 4.36Å; I664-L668 HydrophobicContact CG2-CD1 3.96Å; I664-L668 HydrophobicContact CG2-CG 4.39Å; I664-L668 WeakPolarHBondContact O-CG 3.47Å; I664-L668 PolarHBondContact O-N 2.55Å; N665-L668 PolarHBondContact O-N 2.84Å; H666-L668 VanDerWaalsContact C-N 3.32Å; H666-L668 PolarHBondContact O-N 3.29Å; L668-S670 PolarHBondContact O-N 3.4Å; L668-T671 PolarHBondContact O-N 3.43Å; L668-T671 VanDerWaalsContact O-N 3.16Å; L668-T671 PolarHBondContact O-OG1 2.73Å |
| 669 | Q | 74.8 | Confident | 75.4 | Confident | 134 Ų | 134 | 65.9 Ų | 65.9 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | -178.8 | -75.5 | 177.1 | 7.6 | 0 | 0 | 112.9 | N665 H666 T671 S672 | N665-Q669 WeakPolarHBondContact O-CB 3.47Å; N665-Q669 VanDerWaalsContact O-CG 3.25Å; N665-Q669 WeakPolarHBondContact O-CG 3.07Å; N665-Q669 PolarHBondContact O-N 3.03Å; H666-Q669 PolarHBondContact O-N 3.02Å; Q669-T671 PolarHBondContact O-N 3.32Å; Q669-S672 PolarHBondContact O-N 3.17Å; Q669-S672 VanDerWaalsContact O-N 3.12Å; Q669-S672 PolarHBondContact O-OG 3.19Å |
| 670 | S | 66.1 | Low | 75.3 | Confident | 86 Ų | 86 | 65.1 Ų | 65.1 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.2 | 176.2 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | H666 L667 L668 | H666-S670 PolarHBondContact O-N 3.28Å; H666-S670 PolarHBondContact O-OG 3.43Å; L667-S670 PolarHBondContact O-OG 2.91Å; L668-S670 PolarHBondContact O-N 3.4Å |
| 671 | T | 60.9 | Low | 74.5 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 0.3 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | R477 H528 L667 L668 Q669 | R477-T671 PolarHBondContact NH2-OG1 3.26Å; H528-T671 PolarHBondContact ND1-O 3.46Å; L667-T671 PolarHBondContact O-OG1 2.94Å; L668-T671 PolarHBondContact O-N 3.43Å; L668-T671 VanDerWaalsContact O-N 3.16Å; L668-T671 PolarHBondContact O-OG1 2.73Å; Q669-T671 PolarHBondContact O-N 3.32Å |
| 672 | S | 61.3 | Low | 73.1 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 128.2 | -179.5 | 62 | 0 | 0 | 0 | 0 | 112.2 | Q669 R674 | Q669-S672 PolarHBondContact O-N 3.17Å; Q669-S672 VanDerWaalsContact O-N 3.12Å; Q669-S672 PolarHBondContact O-OG 3.19Å; S672-R674 PolarHBondContact O-N 3.41Å |
| 673 | L | 58.2 | Low | 71.2 | Confident | 115 Ų | 115 | 77 Ų | 77 | 60% | 0.602 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 116.8 | 174.5 | -85 | 154.6 | 0 | 0 | 0 | 109.4 | ||
| 674 | R | 66.1 | Low | 69.2 | Low | 150 Ų | 150 | 82.8 Ų | 82.8 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 137.6 | 170.2 | -66.7 | -179.2 | -179.2 | -171.2 | 3.6 | 109.1 | S672 Y676 | S672-R674 PolarHBondContact O-N 3.41Å; R674-Y676 HydrophobicContact CB-CD2 4.24Å; R674-Y676 HydrophobicContact CB-CE1 4.14Å; R674-Y676 HydrophobicContact CB-CE2 3.42Å; R674-Y676 VanDerWaalsContact CB-CE2 3.42Å; R674-Y676 WeakPolarHBondContact CB-OH 3.43Å; R674-Y676 WeakPolarHBondContact CD-OH 3.42Å; R674-Y676 WeakPolarHBondContact O-CD2 3.32Å |
| 675 | S | 69 | Low | 67.4 | Low | 105 Ų | 105 | 90 Ų | 90 | 73% | 0.734 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 116.6 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 676 | Y | 76.8 | Confident | 65.3 | Low | 53 Ų | 53 | 93.5 Ų | 93.5 | 21% | 0.208 | 50% | 0.499 | C | S | . | . | trans | -127.8 | -25.7 | -178.6 | -53.3 | -67.2 | 0 | 0 | 0 | 113.3 | R674 V801 N805 E809 | R674-Y676 HydrophobicContact CB-CD2 4.24Å; R674-Y676 HydrophobicContact CB-CE1 4.14Å; R674-Y676 HydrophobicContact CB-CE2 3.42Å; R674-Y676 VanDerWaalsContact CB-CE2 3.42Å; R674-Y676 WeakPolarHBondContact CB-OH 3.43Å; R674-Y676 WeakPolarHBondContact CD-OH 3.42Å; R674-Y676 WeakPolarHBondContact O-CD2 3.32Å; Y676-V801 HydrophobicContact CD1-CG1 4.42Å; Y676-V801 HydrophobicContact CD1-CG2 3.44Å; Y676-V801 VanDerWaalsContact CD1-CG2 3.44Å; Y676-V801 HydrophobicContact CD2-CG1 4.13Å; Y676-V801 HydrophobicContact CD2-CG2 4.33Å; Y676-V801 HydrophobicContact CE1-CG2 3.68Å; Y676-V801 HydrophobicContact CE2-CG2 4.49Å; Y676-V801 HydrophobicContact CG-CG1 3.88Å; Y676-V801 HydrophobicContact CG-CG2 3.77Å; Y676-N805 HydrophobicContact CD2-CB 4.27Å; Y676-N805 HydrophobicContact CE2-CB 4.24Å; Y676-E809 WeakPolarHBondContact CA-OE2 3.25Å; Y676-E809 PolarHBondContact N-OE2 3.36Å | ||
| 677 | L | 78.3 | Confident | 63.3 | Low | 12 Ų | 12 | 98.1 Ų | 98.1 | 6% | 0.063 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -74.6 | 136.1 | -179 | -82.4 | 169.5 | 0 | 0 | 0 | 111.6 | L780 L806 E809 L810 K813 | L677-L780 HydrophobicContact CD2-CD1 4.44Å; L677-L806 VanDerWaalsContact CD1-O 3.32Å; L677-L806 WeakPolarHBondContact CD1-O 3.47Å; L677-L806 HydrophobicContact CD2-CB 4.12Å; L677-L806 HydrophobicContact CD2-CD2 3.87Å; L677-L806 HydrophobicContact CD2-CG 4.41Å; L677-L806 HydrophobicContact CG-CB 4.23Å; L677-L806 HydrophobicContact CG-CD2 3.83Å; L677-E809 WeakPolarHBondContact CB-OE1 3.46Å; L677-E809 HydrophobicContact CD1-CB 4.11Å; L677-E809 HydrophobicContact CD1-CG 4.2Å; L677-E809 PolarHBondContact N-OE1 3.37Å; L677-E809 PolarHBondContact N-OE2 3.03Å; L677-L810 HydrophobicContact CD1-CB 3.82Å; L677-L810 HydrophobicContact CD1-CD1 4.3Å; L677-K813 VanDerWaalsContact CB-NZ 3.28Å; L677-K813 PolarHBondContact O-NZ 3.45Å |
| 678 | P | 75.1 | Confident | 61.6 | Low | 20 Ų | 20 | 101.9 Ų | 101.9 | 13% | 0.13 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 147.7 | 173 | -22.9 | 32.7 | 0 | 0 | 0 | 112.9 | K768 Q776 | P678-K768 HydrophobicContact CB-CB 4.47Å; P678-K768 HydrophobicContact CB-CG 4.3Å; P678-K768 HydrophobicContact CG-CB 4.36Å; P678-K768 HydrophobicContact CG-CG 3.75Å; P678-Q776 PolarHBondContact O-NE2 3.02Å |
| 679 | P | 74.5 | Confident | 59.9 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 150.9 | 170.6 | 29.1 | -32.9 | 0 | 0 | 0 | 111.2 | ||
| 680 | L | 76.6 | Confident | 58.5 | Low | 67 Ų | 67 | 96.6 Ų | 96.6 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 139 | 178.7 | -65.1 | 173.6 | 0 | 0 | 0 | 111.9 | L773 | L680-L773 HydrophobicContact CD1-CD2 4.08Å; L680-L773 HydrophobicContact CD1-CG 4.39Å; L680-L773 HydrophobicContact CD2-CD2 4.26Å; L680-L773 HydrophobicContact CG-CD2 4.41Å |
| 681 | C | 63.8 | Low | 57.2 | Low | 44 Ų | 44 | 94.6 Ų | 94.6 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 130 | -178.5 | -163.2 | 0 | 0 | 0 | 0 | 111.5 | N683 C770 | C681-N683 PolarHBondContact O-N 3.42Å; C681-C770 PolarHBondContact N-O 3.45Å |
| 682 | K | 52.4 | Low | 55.9 | Low | 200 Ų | 200 | 97.6 Ų | 97.6 | 87% | 0.87 | 52% | 0.52 | S | S | * | . | trans | -95.8 | 36.4 | -176 | -65.8 | -174.3 | 177.8 | -179.2 | 0 | 114 | ||||
| 683 | N | 43.9 | Very low | 54.6 | Low | 127 Ų | 127 | 101.3 Ų | 101.3 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | trans | -78 | 135.5 | 179.9 | -73.1 | -16.3 | 0 | 0 | 0 | 111 | C681 E685 | C681-N683 PolarHBondContact O-N 3.42Å; N683-E685 PolarHBondContact O-N 2.95Å | ||
| 684 | T | 40.5 | Very low | 53.6 | Low | 152 Ų | 152 | 98.5 Ų | 98.5 | 93% | 0.933 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -79.2 | 6 | -169.8 | -11.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 685 | E | 45.4 | Very low | 52.4 | Low | 153 Ų | 153 | 93.2 Ų | 93.2 | 72% | 0.715 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -109.4 | 114.3 | 169.5 | -66.2 | -175.1 | 168.2 | 0 | 0 | 106.7 | N683 R687 | N683-E685 PolarHBondContact O-N 2.95Å; E685-R687 PolarHBondContact O-N 3.05Å |
| 686 | D | 40.4 | Very low | 50.9 | Low | 144 Ų | 144 | 88.3 Ų | 88.3 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | trans | -64.3 | 70.6 | 174.6 | -75.5 | -34.1 | 0 | 0 | 0 | 110.4 | H688 | D686-H688 VanDerWaalsContact C-N 3.3Å; D686-H688 PolarHBondContact O-N 2.78Å; D686-H688 VanDerWaalsContact O-N 3.15Å | ||
| 687 | R | 42.7 | Very low | 48.9 | Very low | 206 Ų | 206 | 93.1 Ų | 93.1 | 78% | 0.777 | 49% | 0.486 | S | S | * | . | trans | -79.6 | 86.3 | 163.9 | -99.5 | -179.9 | 149.8 | -179.7 | -6.1 | 106.8 | E685 V689 | E685-R687 PolarHBondContact O-N 3.05Å; R687-V689 PolarHBondContact O-N 2.79Å | ||
| 688 | H | 45.4 | Very low | 47 | Very low | 100 Ų | 100 | 95.8 Ų | 95.8 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | trans | -57.7 | 121.6 | 161.5 | -74.2 | -76.9 | 0 | 0 | 0 | 108.3 | D686 F690 | D686-H688 VanDerWaalsContact C-N 3.3Å; D686-H688 PolarHBondContact O-N 2.78Å; D686-H688 VanDerWaalsContact O-N 3.15Å; H688-F690 WeakPolarHBondContact CB-O 3.39Å; H688-F690 PolarHBondContact O-N 3.2Å | ||
| 689 | V | 46.6 | Very low | 45.5 | Very low | 40 Ų | 40 | 95.5 Ų | 95.5 | 24% | 0.242 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -64.7 | -30.7 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | R687 | R687-V689 PolarHBondContact O-N 2.79Š|
| 690 | F | 45.3 | Very low | 43.9 | Very low | 31 Ų | 31 | 92.2 Ų | 92.2 | 14% | 0.136 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -124.1 | 117.4 | 173.3 | -55.1 | -70.4 | 0 | 0 | 0 | 110.8 | H688 A692 W750 D775 D778 I779 | H688-F690 WeakPolarHBondContact CB-O 3.39Å; H688-F690 PolarHBondContact O-N 3.2Å; F690-A692 PolarHBondContact O-N 2.77Å; F690-W750 HydrophobicContact CD1-CH2 4.15Å; F690-W750 HydrophobicContact CD1-CZ3 4.41Å; F690-W750 HydrophobicContact CE1-CE3 4.46Å; F690-W750 AromaticContact CE1-CH2 3.55Å; F690-W750 HydrophobicContact CE1-CH2 3.55Å; F690-W750 AromaticContact CE1-CZ3 3.4Å; F690-W750 HydrophobicContact CE1-CZ3 3.4Å; F690-W750 VanDerWaalsContact CE1-CZ3 3.4Å; F690-W750 HydrophobicContact CZ-CH2 4.46Å; F690-W750 HydrophobicContact CZ-CZ3 4Å; F690-D775 HydrophobicContact CD2-CB 4.12Å; F690-D775 WeakPolarHBondContact CD2-OD1 3.43Å; F690-D775 HydrophobicContact CE2-CB 4.39Å; F690-D778 HydrophobicContact CD2-CB 4.41Å; F690-D778 HydrophobicContact CE2-CB 4.4Å; F690-I779 HydrophobicContact CE2-CD1 4.27Å; F690-I779 HydrophobicContact CE2-CG1 3.84Å; F690-I779 HydrophobicContact CZ-CG1 3.97Å |
| 691 | S | 36.9 | Very low | 42.2 | Very low | 44 Ų | 44 | 91.9 Ų | 91.9 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | trans | -57.6 | 136.9 | 169.6 | 156.3 | 0 | 0 | 0 | 0 | 110 | I693 H694 | S691-I693 PolarHBondContact O-N 3.46Å; S691-H694 PolarHBondContact O-CD2 2.85Å; S691-H694 PolarHBondContact O-N 3Å | ||
| 692 | A | 33.8 | Very low | 41.2 | Very low | 106 Ų | 106 | 91.9 Ų | 91.9 | 88% | 0.876 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 3.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | F690 | F690-A692 PolarHBondContact O-N 2.77Š|
| 693 | I | 33.8 | Very low | 40.8 | Very low | 147 Ų | 147 | 83.4 Ų | 83.4 | 75% | 0.754 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -10.1 | -173.8 | -60.3 | 170.8 | 0 | 0 | 0 | 112.3 | S691 S695 | S691-I693 PolarHBondContact O-N 3.46Å; I693-S695 PolarHBondContact O-N 3.44Å |
| 694 | H | 38.2 | Very low | 40.9 | Very low | 56 Ų | 56 | 79.7 Ų | 79.7 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | trans | -84 | 104.3 | -175 | -63.8 | -63.3 | 0 | 0 | 0 | 113.1 | S691 D698 | S691-H694 PolarHBondContact O-CD2 2.85Å; S691-H694 PolarHBondContact O-N 3Å; H694-D698 IonicContact ND1-OD2 3.68Å; H694-D698 PolarHBondContact ND1-OD2 3.08Å | ||
| 695 | S | 41 | Very low | 41 | Very low | 38 Ų | 38 | 80.6 Ų | 80.6 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | trans | -62.6 | 141.5 | 166.3 | 161.6 | 0 | 0 | 0 | 0 | 109.9 | I693 R697 D698 R727 | I693-S695 PolarHBondContact O-N 3.44Å; S695-R697 PolarHBondContact O-N 3.47Å; S695-R697 WeakPolarHBondContact OG-CB 3.45Å; S695-R697 PolarHBondContact OG-N 2.89Å; S695-R697 VanDerWaalsContact OG-N 3.17Å; S695-D698 PolarHBondContact O-N 3.28Å; S695-R727 PolarHBondContact OG-O 3.48Å | ||
| 696 | T | 37.6 | Very low | 40.9 | Very low | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.8 | -4 | 174.3 | -16.3 | 0 | 0 | 0 | 0 | 113.8 | D698 I699 L700 R727 | T696-D698 VanDerWaalsContact C-N 3.25Å; T696-D698 PolarHBondContact O-N 3.31Å; T696-I699 PolarHBondContact O-N 2.95Å; T696-L700 HydrophobicContact CG2-CD1 3.62Å; T696-L700 HydrophobicContact CG2-CG 4.09Å; T696-L700 WeakPolarHBondContact O-CB 3.39Å; T696-L700 VanDerWaalsContact O-CG 3.31Å; T696-L700 WeakPolarHBondContact O-CG 3.43Å; T696-L700 PolarHBondContact O-N 3.07Å; T696-R727 HydrophobicContact CG2-CB 3.76Å; T696-R727 HydrophobicContact CG2-CG 3.65Å; T696-R727 WeakPolarHBondContact OG1-CD 3.42Å; T696-R727 WeakPolarHBondContact OG1-CG 3.21Å; T696-R727 PolarHBondContact OG1-NE 3.11Å; T696-R727 PolarHBondContact OG1-NH1 3.43Å |
| 697 | R | 35.1 | Very low | 40.8 | Very low | 153 Ų | 153 | 75.3 Ų | 75.3 | 58% | 0.577 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -51.8 | -40.8 | 159.2 | -179.6 | -178.5 | 158.1 | 158 | -3 | 112.8 | S695 S701 | S695-R697 PolarHBondContact O-N 3.47Å; S695-R697 WeakPolarHBondContact OG-CB 3.45Å; S695-R697 PolarHBondContact OG-N 2.89Å; S695-R697 VanDerWaalsContact OG-N 3.17Å; R697-S701 WeakPolarHBondContact O-CB 3.29Å; R697-S701 PolarHBondContact O-N 3.31Å |
| 698 | D | 38.8 | Very low | 40.5 | Very low | 68 Ų | 68 | 68.8 Ų | 68.8 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.2 | -38.6 | -179.5 | -63.3 | -18.9 | 0 | 0 | 0 | 110.8 | H694 S695 T696 V702 | H694-D698 IonicContact ND1-OD2 3.68Å; H694-D698 PolarHBondContact ND1-OD2 3.08Å; S695-D698 PolarHBondContact O-N 3.28Å; T696-D698 VanDerWaalsContact C-N 3.25Å; T696-D698 PolarHBondContact O-N 3.31Å; D698-V702 VanDerWaalsContact O-CG2 3.31Å; D698-V702 WeakPolarHBondContact O-CG2 3.32Å; D698-V702 PolarHBondContact O-N 3.39Å |
| 699 | I | 43.3 | Very low | 40.1 | Very low | 15 Ų | 15 | 70.2 Ų | 70.2 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.4 | -56.2 | 176.7 | 0 | 0 | 0 | 110.9 | T696 M703 W750 I782 | T696-I699 PolarHBondContact O-N 2.95Å; I699-M703 HydrophobicContact CG2-CE 4.38Å; I699-M703 WeakPolarHBondContact O-CG 3.35Å; I699-M703 PolarHBondContact O-N 2.89Å; I699-W750 HydrophobicContact CD1-CH2 4.18Å; I699-W750 HydrophobicContact CG1-CH2 3.91Å; I699-W750 HydrophobicContact CG1-CZ2 3.77Å; I699-I782 HydrophobicContact CG2-CD1 4.32Å; I699-I782 HydrophobicContact CG2-CG1 4.11Å |
| 700 | L | 39.6 | Very low | 39.3 | Very low | 42 Ų | 42 | 77.4 Ų | 77.4 | 22% | 0.22 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -79.5 | -33.6 | -177.3 | -69.5 | 172 | 0 | 0 | 0 | 113.8 | T696 V702 M703 A704 H726 | T696-L700 HydrophobicContact CG2-CD1 3.62Å; T696-L700 HydrophobicContact CG2-CG 4.09Å; T696-L700 WeakPolarHBondContact O-CB 3.39Å; T696-L700 VanDerWaalsContact O-CG 3.31Å; T696-L700 WeakPolarHBondContact O-CG 3.43Å; T696-L700 PolarHBondContact O-N 3.07Å; L700-V702 PolarHBondContact O-N 2.79Å; L700-M703 PolarHBondContact O-N 3.3Å; L700-A704 WeakPolarHBondContact O-CB 3.48Å; L700-A704 PolarHBondContact O-N 2.85Å; L700-H726 HydrophobicContact CD1-CB 3.43Å; L700-H726 VanDerWaalsContact CD1-CB 3.43Å |
| 701 | S | 42.5 | Very low | 38.6 | Very low | 60 Ų | 60 | 82.3 Ų | 82.3 | 42% | 0.42 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56 | -41 | 171.8 | 165.6 | 0 | 0 | 0 | 0 | 111.7 | R697 K705 | R697-S701 WeakPolarHBondContact O-CB 3.29Å; R697-S701 PolarHBondContact O-N 3.31Å; S701-K705 PolarHBondContact O-N 3.34Å |
| 702 | V | 42.1 | Very low | 38.2 | Very low | 44 Ų | 44 | 85.7 Ų | 85.7 | 27% | 0.267 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.2 | -37.9 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | D698 L700 K705 A706 | D698-V702 VanDerWaalsContact O-CG2 3.31Å; D698-V702 WeakPolarHBondContact O-CG2 3.32Å; D698-V702 PolarHBondContact O-N 3.39Å; L700-V702 PolarHBondContact O-N 2.79Å; V702-K705 PolarHBondContact O-N 2.86Å; V702-A706 PolarHBondContact O-N 3.05Å |
| 703 | M | 43 | Very low | 37.8 | Very low | 22 Ų | 22 | 89.8 Ų | 89.8 | 11% | 0.108 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 175.5 | -76.2 | -164.7 | 179.1 | 0 | 0 | 114.1 | I699 L700 K705 A706 K707 I782 V785 I786 | I699-M703 HydrophobicContact CG2-CE 4.38Å; I699-M703 WeakPolarHBondContact O-CG 3.35Å; I699-M703 PolarHBondContact O-N 2.89Å; L700-M703 PolarHBondContact O-N 3.3Å; M703-K705 VanDerWaalsContact C-N 3.26Å; M703-K705 PolarHBondContact O-N 3.34Å; M703-A706 PolarHBondContact O-N 3.22Å; M703-K707 PolarHBondContact O-N 3.34Å; M703-I782 HydrophobicContact CE-CB 4.4Å; M703-I782 HydrophobicContact CE-CG1 4.37Å; M703-I782 HydrophobicContact CE-CG2 3.74Å; M703-V785 HydrophobicContact SD-CG1 4.09Å; M703-I786 HydrophobicContact CE-CD1 3.65Å; M703-I786 HydrophobicContact CE-CG1 3.62Å; M703-I786 HydrophobicContact SD-CG1 4.33Å |
| 704 | A | 47 | Very low | 37.3 | Very low | 50 Ų | 50 | 89 Ų | 89 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L700 | L700-A704 WeakPolarHBondContact O-CB 3.48Å; L700-A704 PolarHBondContact O-N 2.85Å |
| 705 | K | 43.5 | Very low | 36.8 | Very low | 170 Ų | 170 | 91 Ų | 91 | 74% | 0.739 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.6 | -37.5 | 172.1 | -73.9 | 179.1 | 178.1 | 177.6 | 0 | 112.7 | S701 V702 M703 G708 | S701-K705 PolarHBondContact O-N 3.34Å; V702-K705 PolarHBondContact O-N 2.86Å; M703-K705 VanDerWaalsContact C-N 3.26Å; M703-K705 PolarHBondContact O-N 3.34Å; K705-G708 PolarHBondContact O-N 2.98Å |
| 706 | A | 41.4 | Very low | 35.8 | Very low | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.8 | -30.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V702 M703 | V702-A706 PolarHBondContact O-N 3.05Å; M703-A706 PolarHBondContact O-N 3.22Å |
| 707 | K | 39.4 | Very low | 35.2 | Very low | 141 Ų | 141 | 103.4 Ų | 103.4 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 4.2 | 177.9 | -72.2 | -171.3 | 176.4 | -177.9 | 0 | 115.3 | M703 L709 | M703-K707 PolarHBondContact O-N 3.34Å; K707-L709 PolarHBondContact O-N 2.62Å |
| 708 | G | 35.7 | Very low | 34.5 | Very low | 68 Ų | 68 | 104.1 Ų | 104.1 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 26.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K705 E710 | K705-G708 PolarHBondContact O-N 2.98Å; G708-E710 PolarHBondContact O-N 3.32Å |
| 709 | L | 38.4 | Very low | 34.1 | Very low | 131 Ų | 131 | 106.4 Ų | 106.4 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | trans | -90.7 | 98.5 | 177.9 | -75.8 | 159.8 | 0 | 0 | 0 | 111 | K707 | K707-L709 PolarHBondContact O-N 2.62Š| ||
| 710 | E | 28.2 | Very low | 33.1 | Very low | 191 Ų | 191 | 111.8 Ų | 111.8 | 89% | 0.893 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.6 | 165.3 | -74.6 | -167.6 | 163 | 0 | 0 | 110.1 | G708 | G708-E710 PolarHBondContact O-N 3.32Š|
| 711 | V | 31.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 116.3 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 712 | P | 27.8 | Very low | 32 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.8 | -179.6 | -3.9 | 19.8 | 0 | 0 | 0 | 111.2 | ||
| 713 | F | 25.8 | Very low | 31.1 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 116.1 | 173.8 | -160.5 | -94.2 | 0 | 0 | 0 | 109.7 | ||
| 714 | V | 22.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -119.3 | 124.8 | 168.1 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 715 | P | 27.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 62% | 0.623 | 73% | 0.733 | S | S | * | * | trans | -90.5 | 124.7 | -176.5 | 33.1 | -28.5 | 0 | 0 | 0 | 111 | ||||
| 716 | M | 20.8 | Very low | 28.9 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 88% | 0.882 | 72% | 0.718 | S | S | * | * | trans | -164.4 | 105.7 | 146.2 | -102.7 | -154.8 | -73.5 | 0 | 0 | 112.4 | ||||
| 717 | T | 24.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | 27.4 | 106.3 | 142.4 | 54.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 718 | L | 21.4 | Very low | 28.3 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 71% | 0.711 | S | S | * | * | -165.4 | 146 | 125.3 | -100.5 | 139.9 | 0 | 0 | 0 | 109 | T720 | L718-T720 PolarHBondContact O-N 2.85Š| |||
| 719 | P | 29.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -90.7 | 102.2 | -156.3 | 33.8 | -29.6 | 0 | 0 | 0 | 112.2 | ||||
| 720 | T | 23.9 | Very low | 28.3 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | -156.8 | 127.6 | 156.1 | -17.2 | 0 | 0 | 0 | 0 | 108.8 | L718 V722 | L718-T720 PolarHBondContact O-N 2.85Å; T720-V722 PolarHBondContact O-N 3.45Å; T720-V722 VanDerWaalsContact O-N 3.08Å | ||
| 721 | K | 29 | Very low | 29.1 | Very low | 217 Ų | 217 | 117.9 Ų | 117.9 | 94% | 0.943 | 65% | 0.647 | S | S | * | * | trans | -62 | 105.7 | -179.8 | -66.6 | 175 | 178.2 | 176 | 0 | 110.1 | ||||
| 722 | V | 28 | Very low | 30 | Very low | 119 Ų | 119 | 112.3 Ų | 112.3 | 72% | 0.721 | 61% | 0.613 | S | S | * | * | trans | -143 | 119.8 | 168 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | T720 | T720-V722 PolarHBondContact O-N 3.45Å; T720-V722 VanDerWaalsContact O-N 3.08Å | ||
| 723 | L | 23.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 107.8 Ų | 107.8 | 90% | 0.901 | 58% | 0.583 | S | S | * | * | trans | 167.2 | 81.4 | 141.4 | -86.1 | 170 | 0 | 0 | 0 | 109.1 | ||||
| 724 | S | 24.3 | Very low | 31.4 | Very low | 56 Ų | 56 | 106.4 Ų | 106.4 | 39% | 0.392 | 59% | 0.585 | S | S | . | * | trans | -163.1 | 122.9 | 154.8 | 68.2 | 0 | 0 | 0 | 0 | 108.2 | K728 | S724-K728 VanDerWaalsContact O-CD 3.27Å; S724-K728 WeakPolarHBondContact O-CD 3.49Å; S724-K728 WeakPolarHBondContact O-CE 3.5Å; S724-K728 PolarHBondContact O-NZ 3.2Å; S724-K728 WeakPolarHBondContact OG-CE 3.46Å | ||
| 725 | A | 30.6 | Very low | 31.7 | Very low | 66 Ų | 66 | 103.7 Ų | 103.7 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | trans | -167.5 | 130.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 726 | H | 33.2 | Very low | 31.8 | Very low | 94 Ų | 94 | 105.5 Ų | 105.5 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | S | Bend | -162.5 | 11.1 | 99.2 | -77.8 | 23.8 | 0 | 0 | 0 | 111.7 | L700 Q883 | L700-H726 HydrophobicContact CD1-CB 3.43Å; L700-H726 VanDerWaalsContact CD1-CB 3.43Å; H726-Q883 VanDerWaalsContact CD2-CD 3.41Å; H726-Q883 PolarHBondContact CD2-NE2 3.28Å; H726-Q883 VanDerWaalsContact CD2-NE2 3.3Å; H726-Q883 PolarHBondContact CD2-OE1 3.4Å; H726-Q883 PolarHBondContact CE1-NE2 2.67Å; H726-Q883 VanDerWaalsContact CE1-NE2 3.31Å; H726-Q883 PolarHBondContact CE1-OE1 3.11Å; H726-Q883 PolarHBondContact ND1-OE1 3.41Å; H726-Q883 VanDerWaalsContact NE2-CD 3.29Å; H726-Q883 PolarHBondContact NE2-NE2 3.04Å; H726-Q883 PolarHBondContact NE2-OE1 3.34Å; H726-Q883 VanDerWaalsContact NE2-OE1 3.08Å | |
| 727 | R | 32.6 | Very low | 32.1 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 31% | 0.313 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -135.8 | 79.3 | 139 | -109.8 | -155.8 | -159.7 | 140 | 4.6 | 103.9 | S695 T696 D778 | S695-R727 PolarHBondContact OG-O 3.48Å; T696-R727 HydrophobicContact CG2-CB 3.76Å; T696-R727 HydrophobicContact CG2-CG 3.65Å; T696-R727 WeakPolarHBondContact OG1-CD 3.42Å; T696-R727 WeakPolarHBondContact OG1-CG 3.21Å; T696-R727 PolarHBondContact OG1-NE 3.11Å; T696-R727 PolarHBondContact OG1-NH1 3.43Å; R727-D778 IonicContact NH2-OD1 3.34Å |
| 728 | K | 35.7 | Very low | 32.1 | Very low | 121 Ų | 121 | 102.7 Ų | 102.7 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | trans | -69.5 | 140 | 155.4 | -95.5 | 175.8 | 164.3 | 159.7 | 0 | 104.5 | S724 L730 | S724-K728 VanDerWaalsContact O-CD 3.27Å; S724-K728 WeakPolarHBondContact O-CD 3.49Å; S724-K728 WeakPolarHBondContact O-CE 3.5Å; S724-K728 PolarHBondContact O-NZ 3.2Å; S724-K728 WeakPolarHBondContact OG-CE 3.46Å; K728-L730 PolarHBondContact O-N 3.12Å | ||
| 729 | S | 35.6 | Very low | 32.3 | Very low | 42 Ų | 42 | 103.5 Ų | 103.5 | 29% | 0.294 | 57% | 0.573 | S | S | . | * | trans | -38.2 | 134.5 | 152.1 | 53.6 | 0 | 0 | 0 | 0 | 108.3 | N731 E937 | S729-N731 PolarHBondContact O-N 3.05Å; S729-N731 PolarHBondContact OG-ND2 3.49Å; S729-E937 VanDerWaalsContact CB-OE1 3.27Å; S729-E937 WeakPolarHBondContact CB-OE1 3.26Å; S729-E937 WeakPolarHBondContact CB-OE2 3.23Å; S729-E937 WeakPolarHBondContact OG-CG 3.26Å; S729-E937 PolarHBondContact OG-OE1 3.09Å; S729-E937 PolarHBondContact OG-OE2 3.45Å | ||
| 730 | L | 39 | Very low | 32.2 | Very low | 48 Ų | 48 | 105.9 Ų | 105.9 | 25% | 0.251 | 58% | 0.579 | S | S | . | * | trans | -62.1 | 85.5 | 175.7 | -77.3 | 158 | 0 | 0 | 0 | 107 | K728 L732 I887 S940 M944 | K728-L730 PolarHBondContact O-N 3.12Å; L730-L732 PolarHBondContact O-N 3.25Å; L730-I887 HydrophobicContact CD2-CD1 3.71Å; L730-I887 HydrophobicContact CD2-CG1 4.19Å; L730-S940 WeakPolarHBondContact O-CB 3.41Å; L730-S940 PolarHBondContact O-OG 3.35Å; L730-M944 HydrophobicContact CD1-CG 3.87Å | ||
| 731 | N | 43.4 | Very low | 32.3 | Very low | 75 Ų | 75 | 108.6 Ų | 108.6 | 40% | 0.401 | 58% | 0.583 | S | S | . | * | trans | -85.3 | 72.7 | 171.4 | -88.1 | -45.8 | 0 | 0 | 0 | 105.9 | S729 V733 E937 | S729-N731 PolarHBondContact O-N 3.05Å; S729-N731 PolarHBondContact OG-ND2 3.49Å; N731-V733 PolarHBondContact O-N 3Å; N731-E937 PolarHBondContact ND2-OE1 2.95Å; N731-E937 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 732 | L | 51.7 | Low | 32.2 | Very low | 17 Ų | 17 | 108.3 Ų | 108.3 | 9% | 0.089 | 58% | 0.581 | C | S | . | * | trans | -67 | -14.3 | 165.7 | -67.6 | 172.7 | 0 | 0 | 0 | 110.7 | L730 I921 Q922 A925 L943 | L730-L732 PolarHBondContact O-N 3.25Å; L732-I921 HydrophobicContact CD1-CG2 4.09Å; L732-Q922 HydrophobicContact CB-CG 4.32Å; L732-Q922 WeakPolarHBondContact O-CG 3.47Å; L732-Q922 PolarHBondContact O-NE2 3.46Å; L732-A925 HydrophobicContact CB-CB 3.69Å; L732-A925 HydrophobicContact CD1-CB 3.45Å; L732-A925 VanDerWaalsContact CD1-CB 3.45Å; L732-A925 HydrophobicContact CG-CB 4.2Å; L732-L943 HydrophobicContact CD1-CD2 4.36Å | ||
| 733 | V | 42.7 | Very low | 32 | Very low | 21 Ų | 21 | 108.8 Ų | 108.8 | 13% | 0.127 | 58% | 0.584 | C | S | . | * | S | Bend | trans | -120.4 | 113.1 | -178.8 | -165.7 | 0 | 0 | 0 | 0 | 109 | N731 S735 T926 A929 | N731-V733 PolarHBondContact O-N 3Å; V733-S735 PolarHBondContact O-N 2.8Å; V733-T926 HydrophobicContact CG1-CG2 4.29Å; V733-A929 HydrophobicContact CG2-CB 4.44Å |
| 734 | D | 39.1 | Very low | 32.2 | Very low | 162 Ų | 162 | 106.2 Ų | 106.2 | 87% | 0.866 | 58% | 0.578 | S | S | * | * | trans | -68.2 | 115 | 169.7 | -90.5 | -31.8 | 0 | 0 | 0 | 108.7 | ||||
| 735 | S | 31.1 | Very low | 32.5 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | trans | -124.5 | 134.3 | 169.6 | -66.8 | 0 | 0 | 0 | 0 | 110 | V733 Q737 | V733-S735 PolarHBondContact O-N 2.8Å; S735-Q737 PolarHBondContact O-N 2.71Å; S735-Q737 VanDerWaalsContact O-N 3.09Å | ||
| 736 | P | 28.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 86% | 0.864 | 60% | 0.602 | S | S | * | * | trans | -72.8 | 101.1 | 172.3 | 26.5 | -26.9 | 0 | 0 | 0 | 109.2 | ||||
| 737 | Q | 26.6 | Very low | 32.4 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | trans | -80.4 | 136.8 | 174.2 | -75.4 | -174.2 | -11.4 | 0 | 0 | 111.5 | S735 | S735-Q737 PolarHBondContact O-N 2.71Å; S735-Q737 VanDerWaalsContact O-N 3.09Å | ||
| 738 | P | 26.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | trans | -68.3 | 142.8 | 163.5 | 28.2 | -30.5 | 0 | 0 | 0 | 110.3 | L740 | P738-L740 PolarHBondContact O-N 3.02Š| ||
| 739 | L | 25.2 | Very low | 33.3 | Very low | 185 Ų | 185 | 121.2 Ų | 121.2 | 97% | 0.969 | 65% | 0.649 | S | S | * | * | trans | -55.3 | 104.8 | 179.2 | -74.9 | 151.3 | 0 | 0 | 0 | 111.2 | ||||
| 740 | L | 26.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 134.6 | 169.2 | -98.2 | 154.7 | 0 | 0 | 0 | 110.5 | P738 | P738-L740 PolarHBondContact O-N 3.02Š|
| 741 | E | 25.6 | Very low | 35.4 | Very low | 186 Ų | 186 | 120.3 Ų | 120.3 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.3 | -178.2 | -70.8 | 178.1 | 142.9 | 0 | 0 | 112.8 | V743 | E741-V743 PolarHBondContact O-N 3.17Š|
| 742 | K | 26.4 | Very low | 36.3 | Very low | 210 Ų | 210 | 122.8 Ų | 122.8 | 91% | 0.913 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123 | 175.6 | -75.4 | 179.2 | 172.7 | -175.9 | 0 | 111 | ||
| 743 | V | 24.3 | Very low | 37 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 149.2 | 163.2 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | E741 | E741-V743 PolarHBondContact O-N 3.17Š|
| 744 | P | 27.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 136.1 | -176.1 | -13.1 | 28.3 | 0 | 0 | 0 | 112.6 | S746 | P744-S746 PolarHBondContact O-N 3.17Š|
| 745 | E | 29.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -67 | 121.9 | 172.7 | -70.7 | 173.5 | 165 | 0 | 0 | 110.3 | ||
| 746 | S | 29.1 | Very low | 39.5 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | trans | -90.9 | 111.5 | 161.6 | 56.6 | 0 | 0 | 0 | 0 | 108.8 | P744 F748 | P744-S746 PolarHBondContact O-N 3.17Å; S746-F748 PolarHBondContact O-N 3.24Å | ||
| 747 | D | 32.3 | Very low | 41.2 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | trans | -64.2 | 111.2 | 176.9 | -81.3 | -36.9 | 0 | 0 | 0 | 112.1 | ||||
| 748 | F | 41.1 | Very low | 43.3 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | trans | -90.5 | 125.9 | 165.7 | -108.4 | -95 | 0 | 0 | 0 | 110.1 | S746 | S746-F748 PolarHBondContact O-N 3.24Š| ||
| 749 | Q | 47.8 | Very low | 45.8 | Very low | 181 Ų | 181 | 117.4 Ų | 117.4 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | trans | -98.2 | 110.9 | -176.4 | -118.5 | 167.8 | 0.1 | 0 | 0 | 110.9 | ||||
| 750 | W | 56.8 | Low | 48.4 | Very low | 48 Ų | 48 | 109.1 Ų | 109.1 | 18% | 0.182 | 56% | 0.558 | C | S | . | * | trans | -60.9 | 150.3 | 173.6 | -57.3 | 92.8 | 0 | 0 | 0 | 111.8 | F690 I699 R752 I782 | F690-W750 HydrophobicContact CD1-CH2 4.15Å; F690-W750 HydrophobicContact CD1-CZ3 4.41Å; F690-W750 HydrophobicContact CE1-CE3 4.46Å; F690-W750 AromaticContact CE1-CH2 3.55Å; F690-W750 HydrophobicContact CE1-CH2 3.55Å; F690-W750 AromaticContact CE1-CZ3 3.4Å; F690-W750 HydrophobicContact CE1-CZ3 3.4Å; F690-W750 VanDerWaalsContact CE1-CZ3 3.4Å; F690-W750 HydrophobicContact CZ-CH2 4.46Å; F690-W750 HydrophobicContact CZ-CZ3 4Å; I699-W750 HydrophobicContact CD1-CH2 4.18Å; I699-W750 HydrophobicContact CG1-CH2 3.91Å; I699-W750 HydrophobicContact CG1-CZ2 3.77Å; W750-R752 PolarHBondContact O-N 2.69Å; W750-I782 HydrophobicContact CE3-CD1 4.29Å; W750-I782 HydrophobicContact CH2-CD1 3.9Å; W750-I782 HydrophobicContact CZ3-CD1 3.48Å; W750-I782 VanDerWaalsContact CZ3-CD1 3.48Å | ||
| 751 | P | 61.2 | Low | 50.9 | Low | 23 Ų | 23 | 108.3 Ų | 108.3 | 15% | 0.149 | 55% | 0.55 | C | S | . | . | trans | -57.1 | 116.3 | 169.1 | -18.2 | 30.4 | 0 | 0 | 0 | 108.6 | D759 K762 L763 | P751-D759 HydrophobicContact CB-CB 4.13Å; P751-D759 PolarHBondContact O-N 3.36Å; P751-K762 HydrophobicContact CB-CB 3.72Å; P751-K762 HydrophobicContact CB-CD 3.84Å; P751-K762 HydrophobicContact CB-CG 4.45Å; P751-K762 HydrophobicContact CG-CB 4.31Å; P751-L763 HydrophobicContact CG-CD2 4.47Å | ||
| 752 | R | 61.2 | Low | 53.4 | Low | 127 Ų | 127 | 103.7 Ų | 103.7 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -106.1 | 144.2 | 175.4 | -68.8 | 179.1 | -172 | -117.9 | 6.9 | 109.9 | W750 G756 D757 | W750-R752 PolarHBondContact O-N 2.69Å; R752-G756 PolarHBondContact NH1-O 3.47Å; R752-D757 CarbonylContact C-O 3.58Å; R752-D757 WeakPolarHBondContact CA-O 3.5Å |
| 753 | D | 66.9 | Low | 55.9 | Low | 51 Ų | 51 | 93.7 Ų | 93.7 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | trans | -78.5 | 177.4 | 168.9 | 66.6 | 14.4 | 0 | 0 | 0 | 110.2 | H755 G756 D757 D759 | D753-H755 PolarHBondContact O-N 3.35Å; D753-H755 WeakPolarHBondContact OD1-CA 3.15Å; D753-H755 WeakPolarHBondContact OD1-CB 3.32Å; D753-H755 PolarHBondContact OD1-N 2.68Å; D753-G756 PolarHBondContact O-N 2.94Å; D753-G756 PolarHBondContact OD1-N 2.75Å; D753-D757 PolarHBondContact N-O 3.24Å; D753-D757 PolarHBondContact OD1-N 2.66Å; D753-D759 HydrophobicContact CB-CB 4.28Å | ||
| 754 | D | 58.5 | Low | 58.6 | Low | 167 Ų | 167 | 88.1 Ų | 88.1 | 89% | 0.893 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10 | -179.1 | -63.6 | -27 | 0 | 0 | 0 | 113.2 | ||
| 755 | H | 51.1 | Low | 61 | Low | 164 Ų | 164 | 88.1 Ų | 88.1 | 76% | 0.759 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -4.7 | 177.9 | -58.8 | -55.4 | 0 | 0 | 0 | 113.3 | D753 D757 | D753-H755 PolarHBondContact O-N 3.35Å; D753-H755 WeakPolarHBondContact OD1-CA 3.15Å; D753-H755 WeakPolarHBondContact OD1-CB 3.32Å; D753-H755 PolarHBondContact OD1-N 2.68Å; H755-D757 VanDerWaalsContact C-N 3.35Å |
| 756 | G | 57.2 | Low | 63.4 | Low | 28 Ų | 28 | 82.2 Ų | 82.2 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 86 | 4.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R752 D753 | R752-G756 PolarHBondContact NH1-O 3.47Å; D753-G756 PolarHBondContact O-N 2.94Å; D753-G756 PolarHBondContact OD1-N 2.75Å |
| 757 | D | 63.6 | Low | 65.8 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -85.7 | 165.1 | 174.1 | -75.6 | -38.5 | 0 | 0 | 0 | 111 | R752 D753 H755 D759 | R752-D757 CarbonylContact C-O 3.58Å; R752-D757 WeakPolarHBondContact CA-O 3.5Å; D753-D757 PolarHBondContact N-O 3.24Å; D753-D757 PolarHBondContact OD1-N 2.66Å; H755-D757 VanDerWaalsContact C-N 3.35Å; D757-D759 PolarHBondContact O-N 3.02Å |
| 758 | V | 70.7 | Confident | 67.9 | Low | 28 Ų | 28 | 76.2 Ų | 76.2 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 118.4 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | C760 L763 I782 I786 | V758-C760 PolarHBondContact O-N 3.1Å; V758-C760 VanDerWaalsContact O-N 3.07Å; V758-C760 PolarHBondContact O-SG 2.9Å; V758-L763 HydrophobicContact CG1-CD1 3.48Å; V758-L763 VanDerWaalsContact CG1-CD1 3.48Å; V758-L763 HydrophobicContact CG1-CG 4.33Å; V758-I782 HydrophobicContact CG1-CG2 4.47Å; V758-I786 HydrophobicContact CB-CD1 3.94Å; V758-I786 HydrophobicContact CG1-CD1 3.97Å; V758-I786 HydrophobicContact CG2-CD1 4.42Å |
| 759 | D | 79.1 | Confident | 69.7 | Low | 24 Ų | 24 | 75.5 Ų | 75.5 | 13% | 0.128 | 37% | 0.369 | C | S | . | . | trans | -74 | 98.5 | -179.4 | -171.2 | -26.9 | 0 | 0 | 0 | 110.5 | P751 D753 D757 E761 K762 L763 | P751-D759 HydrophobicContact CB-CB 4.13Å; P751-D759 PolarHBondContact O-N 3.36Å; D753-D759 HydrophobicContact CB-CB 4.28Å; D757-D759 PolarHBondContact O-N 3.02Å; D759-E761 VanDerWaalsContact C-N 3.3Å; D759-E761 PolarHBondContact O-N 2.78Å; D759-E761 PolarHBondContact OD1-N 3.27Å; D759-E761 VanDerWaalsContact OD1-N 3.12Å; D759-K762 HydrophobicContact CB-CB 4.12Å; D759-K762 HydrophobicContact CB-CD 4.24Å; D759-K762 HydrophobicContact CB-CG 4.32Å; D759-K762 PolarHBondContact O-N 3.01Å; D759-K762 PolarHBondContact OD1-N 2.82Å; D759-K762 WeakPolarHBondContact OD2-CD 3.49Å; D759-K762 VanDerWaalsContact OD2-CE 3.29Å; D759-K762 WeakPolarHBondContact OD2-CE 3.4Å; D759-K762 VanDerWaalsContact OD2-CG 3.29Å; D759-K762 WeakPolarHBondContact OD2-CG 3.48Å; D759-K762 IonicContact OD2-NZ 2.93Å; D759-K762 PolarHBondContact OD2-NZ 3.29Å; D759-L763 WeakPolarHBondContact O-CG 3.35Å; D759-L763 PolarHBondContact O-N 2.83Å; D759-L763 VanDerWaalsContact O-N 3.11Å | ||
| 760 | C | 79.3 | Confident | 71.1 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.3 | -26.6 | -177.1 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | V758 V764 L783 K787 W791 | V758-C760 PolarHBondContact O-N 3.1Å; V758-C760 VanDerWaalsContact O-N 3.07Å; V758-C760 PolarHBondContact O-SG 2.9Å; C760-V764 WeakPolarHBondContact O-CG2 3.32Å; C760-V764 PolarHBondContact O-N 3.33Å; C760-V764 VanDerWaalsContact O-N 3.13Å; C760-L783 HydrophobicContact CB-CD2 3.95Å; C760-K787 WeakPolarHBondContact SG-CE 3.32Å; C760-W791 HydrophobicContact CB-CH2 4.18Å; C760-W791 HydrophobicContact CB-CZ2 4.47Å |
| 761 | E | 78.2 | Confident | 72 | Confident | 149 Ų | 149 | 66.6 Ų | 66.6 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -72.9 | -43.4 | 177.8 | -65.7 | -173.4 | 171.8 | 0 | 0 | 110.3 | D759 L763 V764 E765 | D759-E761 VanDerWaalsContact C-N 3.3Å; D759-E761 PolarHBondContact O-N 2.78Å; D759-E761 PolarHBondContact OD1-N 3.27Å; D759-E761 VanDerWaalsContact OD1-N 3.12Å; E761-L763 VanDerWaalsContact C-N 3.33Å; E761-L763 PolarHBondContact O-N 2.97Å; E761-V764 PolarHBondContact O-N 3.06Å; E761-V764 VanDerWaalsContact O-N 3.16Å; E761-E765 PolarHBondContact O-N 2.76Å |
| 762 | K | 78.4 | Confident | 72.8 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 172.1 | -73.6 | -175.7 | -172.5 | 114.1 | 0 | 113.1 | P751 D759 V764 E765 Q766 | P751-K762 HydrophobicContact CB-CB 3.72Å; P751-K762 HydrophobicContact CB-CD 3.84Å; P751-K762 HydrophobicContact CB-CG 4.45Å; P751-K762 HydrophobicContact CG-CB 4.31Å; D759-K762 HydrophobicContact CB-CB 4.12Å; D759-K762 HydrophobicContact CB-CD 4.24Å; D759-K762 HydrophobicContact CB-CG 4.32Å; D759-K762 PolarHBondContact O-N 3.01Å; D759-K762 PolarHBondContact OD1-N 2.82Å; D759-K762 WeakPolarHBondContact OD2-CD 3.49Å; D759-K762 VanDerWaalsContact OD2-CE 3.29Å; D759-K762 WeakPolarHBondContact OD2-CE 3.4Å; D759-K762 VanDerWaalsContact OD2-CG 3.29Å; D759-K762 WeakPolarHBondContact OD2-CG 3.48Å; D759-K762 IonicContact OD2-NZ 2.93Å; D759-K762 PolarHBondContact OD2-NZ 3.29Å; K762-V764 VanDerWaalsContact C-N 3.34Å; K762-E765 WeakPolarHBondContact O-CB 3.38Å; K762-E765 PolarHBondContact O-N 2.88Å; K762-Q766 WeakPolarHBondContact O-CG 3.23Å; K762-Q766 PolarHBondContact O-N 2.81Å |
| 763 | L | 78.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 173.2 | -76.6 | 177.1 | 0 | 0 | 0 | 112.1 | P751 V758 D759 E761 E765 Q766 L767 I779 I782 L783 | P751-L763 HydrophobicContact CG-CD2 4.47Å; V758-L763 HydrophobicContact CG1-CD1 3.48Å; V758-L763 VanDerWaalsContact CG1-CD1 3.48Å; V758-L763 HydrophobicContact CG1-CG 4.33Å; D759-L763 WeakPolarHBondContact O-CG 3.35Å; D759-L763 PolarHBondContact O-N 2.83Å; D759-L763 VanDerWaalsContact O-N 3.11Å; E761-L763 VanDerWaalsContact C-N 3.33Å; E761-L763 PolarHBondContact O-N 2.97Å; L763-E765 VanDerWaalsContact C-N 3.32Å; L763-Q766 PolarHBondContact O-N 3.01Å; L763-L767 PolarHBondContact O-N 3.18Å; L763-I779 HydrophobicContact CB-CG2 4.16Å; L763-I779 HydrophobicContact CD2-CG2 4.49Å; L763-I782 HydrophobicContact CD1-CG2 3.65Å; L763-L783 HydrophobicContact CB-CD2 4.28Å; L763-L783 HydrophobicContact CD1-CD2 4.28Å |
| 764 | V | 82.2 | Confident | 74.2 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 174 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | C760 E761 K762 L767 L783 W791 T793 L795 | C760-V764 WeakPolarHBondContact O-CG2 3.32Å; C760-V764 PolarHBondContact O-N 3.33Å; C760-V764 VanDerWaalsContact O-N 3.13Å; E761-V764 PolarHBondContact O-N 3.06Å; E761-V764 VanDerWaalsContact O-N 3.16Å; K762-V764 VanDerWaalsContact C-N 3.34Å; V764-L767 WeakPolarHBondContact O-CB 3.14Å; V764-L767 PolarHBondContact O-N 2.65Å; V764-L783 HydrophobicContact CG2-CD1 3.91Å; V764-W791 HydrophobicContact CG2-CH2 3.97Å; V764-W791 HydrophobicContact CG2-CZ3 3.83Å; V764-T793 HydrophobicContact CG2-CG2 4.49Å; V764-L795 HydrophobicContact CG1-CD1 4.14Å; V764-L795 HydrophobicContact CG1-CD2 3.69Å; V764-L795 HydrophobicContact CG1-CG 3.66Å |
| 765 | E | 78.7 | Confident | 75.1 | Confident | 119 Ų | 119 | 54.9 Ų | 54.9 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 170.6 | -68.4 | -172.8 | 150.4 | 0 | 0 | 112 | E761 K762 L763 L767 K768 | E761-E765 PolarHBondContact O-N 2.76Å; K762-E765 WeakPolarHBondContact O-CB 3.38Å; K762-E765 PolarHBondContact O-N 2.88Å; L763-E765 VanDerWaalsContact C-N 3.32Å; E765-L767 PolarHBondContact O-N 3.2Å; E765-K768 VanDerWaalsContact O-CB 3.29Å; E765-K768 WeakPolarHBondContact O-CB 3.38Å; E765-K768 PolarHBondContact O-N 3.35Å |
| 766 | Q | 79.6 | Confident | 76.6 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -24.7 | 178.1 | -75.3 | -180 | -12.9 | 0 | 0 | 113.8 | K762 L763 K768 D769 C770 I779 | K762-Q766 WeakPolarHBondContact O-CG 3.23Å; K762-Q766 PolarHBondContact O-N 2.81Å; L763-Q766 PolarHBondContact O-N 3.01Å; Q766-K768 PolarHBondContact O-N 3.31Å; Q766-K768 VanDerWaalsContact O-N 3.13Å; Q766-D769 PolarHBondContact O-N 2.83Å; Q766-C770 PolarHBondContact O-N 3.39Å; Q766-C770 PolarHBondContact O-SG 3.34Å; Q766-C770 VanDerWaalsContact O-SG 3.39Å; Q766-I779 HydrophobicContact CB-CD1 4.04Å |
| 767 | L | 79.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.8 | 172 | -72.8 | 172.3 | 0 | 0 | 0 | 112.9 | L763 V764 E765 D769 Q776 I779 L780 L783 L795 L806 | L763-L767 PolarHBondContact O-N 3.18Å; V764-L767 WeakPolarHBondContact O-CB 3.14Å; V764-L767 PolarHBondContact O-N 2.65Å; E765-L767 PolarHBondContact O-N 3.2Å; L767-D769 VanDerWaalsContact C-N 3.34Å; L767-Q776 HydrophobicContact CD2-CB 4.4Å; L767-Q776 HydrophobicContact CD2-CG 4.46Å; L767-I779 HydrophobicContact CD1-CG2 4.45Å; L767-I779 HydrophobicContact CD2-CB 3.82Å; L767-I779 HydrophobicContact CD2-CD1 4.17Å; L767-I779 HydrophobicContact CD2-CG2 3.65Å; L767-I779 HydrophobicContact CG-CB 4.5Å; L767-I779 HydrophobicContact CG-CG2 3.82Å; L767-L780 HydrophobicContact CD1-CD2 4.01Å; L767-L780 HydrophobicContact CD2-CD2 4.38Å; L767-L780 HydrophobicContact CD2-CG 4.28Å; L767-L783 HydrophobicContact CD1-CD1 4.48Å; L767-L795 HydrophobicContact CD1-CD1 4.24Å; L767-L806 HydrophobicContact CD1-CD1 4.38Å |
| 768 | K | 76.5 | Confident | 78.5 | Confident | 118 Ų | 118 | 42.9 Ų | 42.9 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.9 | 177.1 | -60.4 | 174 | -177.7 | 170 | 0 | 112.9 | P678 E765 Q766 | P678-K768 HydrophobicContact CB-CB 4.47Å; P678-K768 HydrophobicContact CB-CG 4.3Å; P678-K768 HydrophobicContact CG-CB 4.36Å; P678-K768 HydrophobicContact CG-CG 3.75Å; E765-K768 VanDerWaalsContact O-CB 3.29Å; E765-K768 WeakPolarHBondContact O-CB 3.38Å; E765-K768 PolarHBondContact O-N 3.35Å; Q766-K768 PolarHBondContact O-N 3.31Å; Q766-K768 VanDerWaalsContact O-N 3.13Å |
| 769 | D | 77.8 | Confident | 79 | Confident | 112 Ų | 112 | 41.5 Ų | 41.5 | 60% | 0.599 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -0.4 | -173.7 | -65.2 | -31.9 | 0 | 0 | 0 | 113.3 | Q766 L767 | Q766-D769 PolarHBondContact O-N 2.83Å; L767-D769 VanDerWaalsContact C-N 3.34Å |
| 770 | C | 78.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -62.4 | 136.9 | 179.7 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | C681 Q766 D775 Q776 | C681-C770 PolarHBondContact N-O 3.45Å; Q766-C770 PolarHBondContact O-N 3.39Å; Q766-C770 PolarHBondContact O-SG 3.34Å; Q766-C770 VanDerWaalsContact O-SG 3.39Å; C770-D775 HydrophobicContact CB-CB 4.17Å; C770-Q776 HydrophobicContact CB-CG 3.58Å | ||
| 771 | S | 74.3 | Confident | 79.2 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 30% | 0.301 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -93.2 | -20.7 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 772 | N | 78.4 | Confident | 79.3 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -142.6 | 165.5 | -178.9 | 62.9 | 70.6 | 0 | 0 | 0 | 112.1 | Q774 D775 | N772-Q774 VanDerWaalsContact C-N 3.3Å; N772-Q774 PolarHBondContact O-N 2.97Å; N772-Q774 WeakPolarHBondContact OD1-CA 3.35Å; N772-Q774 VanDerWaalsContact OD1-CB 3.29Å; N772-Q774 WeakPolarHBondContact OD1-CB 3.43Å; N772-Q774 PolarHBondContact OD1-N 3.17Å; N772-Q774 VanDerWaalsContact OD1-N 3.09Å; N772-D775 VanDerWaalsContact ND2-CG 3.32Å; N772-D775 PolarHBondContact ND2-OD2 2.72Å; N772-D775 PolarHBondContact OD1-N 3.25Å |
| 773 | L | 81.1 | Confident | 79.4 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.6 | -25.8 | -179 | -62.7 | -175 | 0 | 0 | 0 | 113 | L680 Q776 A777 L810 K813 A814 N817 L822 | L680-L773 HydrophobicContact CD1-CD2 4.08Å; L680-L773 HydrophobicContact CD1-CG 4.39Å; L680-L773 HydrophobicContact CD2-CD2 4.26Å; L680-L773 HydrophobicContact CG-CD2 4.41Å; L773-Q776 PolarHBondContact O-N 2.98Å; L773-A777 PolarHBondContact O-N 3.23Å; L773-L810 HydrophobicContact CB-CD1 4.19Å; L773-L810 HydrophobicContact CD2-CD1 3.81Å; L773-L810 HydrophobicContact CG-CD1 4.46Å; L773-K813 HydrophobicContact CD1-CB 4.17Å; L773-K813 HydrophobicContact CD2-CB 4.19Å; L773-K813 HydrophobicContact CD2-CD 4.45Å; L773-A814 HydrophobicContact CD1-CB 4.36Å; L773-N817 HydrophobicContact CD1-CB 4.44Å; L773-N817 VanDerWaalsContact CD1-ND2 3.28Å; L773-N817 WeakPolarHBondContact CD1-ND2 3.23Å; L773-L822 HydrophobicContact CB-CD2 3.71Å |
| 774 | Q | 76.6 | Confident | 79.7 | Confident | 73 Ų | 73 | 33.4 Ų | 33.4 | 34% | 0.341 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.4 | -45 | 178.2 | -176.8 | 62.5 | 49.6 | 0 | 0 | 110.9 | N772 Q776 A777 D778 | N772-Q774 VanDerWaalsContact C-N 3.3Å; N772-Q774 PolarHBondContact O-N 2.97Å; N772-Q774 WeakPolarHBondContact OD1-CA 3.35Å; N772-Q774 VanDerWaalsContact OD1-CB 3.29Å; N772-Q774 WeakPolarHBondContact OD1-CB 3.43Å; N772-Q774 PolarHBondContact OD1-N 3.17Å; N772-Q774 VanDerWaalsContact OD1-N 3.09Å; Q774-Q776 VanDerWaalsContact C-N 3.32Å; Q774-Q776 PolarHBondContact O-N 3.13Å; Q774-A777 WeakPolarHBondContact O-CB 3.43Å; Q774-A777 PolarHBondContact O-N 2.96Å; Q774-A777 VanDerWaalsContact O-N 3.09Å; Q774-D778 PolarHBondContact NE2-OD1 2.86Å; Q774-D778 PolarHBondContact NE2-OD2 3.42Å; Q774-D778 VanDerWaalsContact NE2-OD2 3.11Å; Q774-D778 PolarHBondContact O-N 3.41Å |
| 775 | D | 77.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.5 | -67.5 | -16.8 | 0 | 0 | 0 | 111.3 | F690 C770 N772 A777 D778 I779 | F690-D775 HydrophobicContact CD2-CB 4.12Å; F690-D775 WeakPolarHBondContact CD2-OD1 3.43Å; F690-D775 HydrophobicContact CE2-CB 4.39Å; C770-D775 HydrophobicContact CB-CB 4.17Å; N772-D775 VanDerWaalsContact ND2-CG 3.32Å; N772-D775 PolarHBondContact ND2-OD2 2.72Å; N772-D775 PolarHBondContact OD1-N 3.25Å; D775-A777 VanDerWaalsContact C-N 3.34Å; D775-A777 PolarHBondContact O-N 3.01Å; D775-D778 PolarHBondContact O-N 3.39Å; D775-I779 WeakPolarHBondContact O-CG1 3.4Å; D775-I779 PolarHBondContact O-N 3.49Å; D775-I779 VanDerWaalsContact O-N 3.1Å |
| 776 | Q | 82.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 174.3 | -68.7 | -171.8 | -30.2 | 0 | 0 | 111.3 | P678 L767 C770 L773 Q774 L780 L810 | P678-Q776 PolarHBondContact O-NE2 3.02Å; L767-Q776 HydrophobicContact CD2-CB 4.4Å; L767-Q776 HydrophobicContact CD2-CG 4.46Å; C770-Q776 HydrophobicContact CB-CG 3.58Å; L773-Q776 PolarHBondContact O-N 2.98Å; Q774-Q776 VanDerWaalsContact C-N 3.32Å; Q774-Q776 PolarHBondContact O-N 3.13Å; Q776-L780 WeakPolarHBondContact O-CB 3.5Å; Q776-L780 VanDerWaalsContact O-CG 3.24Å; Q776-L780 WeakPolarHBondContact O-CG 3.36Å; Q776-L780 PolarHBondContact O-N 2.82Å; Q776-L810 HydrophobicContact CB-CD1 4.12Å; Q776-L810 HydrophobicContact CB-CD2 4.22Å |
| 777 | A | 82 | Confident | 79.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L773 Q774 D775 L780 Y781 L810 L822 | L773-A777 PolarHBondContact O-N 3.23Å; Q774-A777 WeakPolarHBondContact O-CB 3.43Å; Q774-A777 PolarHBondContact O-N 2.96Å; Q774-A777 VanDerWaalsContact O-N 3.09Å; D775-A777 VanDerWaalsContact C-N 3.34Å; D775-A777 PolarHBondContact O-N 3.01Å; A777-L780 PolarHBondContact O-N 2.94Å; A777-Y781 VanDerWaalsContact O-CB 3.3Å; A777-Y781 WeakPolarHBondContact O-CB 3.49Å; A777-Y781 PolarHBondContact O-N 3.31Å; A777-L810 HydrophobicContact CB-CD2 3.7Å; A777-L822 HydrophobicContact CB-CD1 3.57Å |
| 778 | D | 78.1 | Confident | 79.8 | Confident | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 179.5 | -72.5 | -42.7 | 0 | 0 | 0 | 111.2 | F690 R727 Q774 D775 Y781 I782 | F690-D778 HydrophobicContact CD2-CB 4.41Å; F690-D778 HydrophobicContact CE2-CB 4.4Å; R727-D778 IonicContact NH2-OD1 3.34Å; Q774-D778 PolarHBondContact NE2-OD1 2.86Å; Q774-D778 PolarHBondContact NE2-OD2 3.42Å; Q774-D778 VanDerWaalsContact NE2-OD2 3.11Å; Q774-D778 PolarHBondContact O-N 3.41Å; D775-D778 PolarHBondContact O-N 3.39Å; D778-Y781 PolarHBondContact O-N 3.13Å; D778-I782 WeakPolarHBondContact O-CG1 3.4Å; D778-I782 PolarHBondContact O-N 2.81Å; D778-I782 VanDerWaalsContact O-N 3.11Å |
| 779 | I | 80.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -48.2 | 172.9 | -66.6 | 169.6 | 0 | 0 | 0 | 111.1 | F690 L763 Q766 L767 D775 Y781 I782 L783 | F690-I779 HydrophobicContact CE2-CD1 4.27Å; F690-I779 HydrophobicContact CE2-CG1 3.84Å; F690-I779 HydrophobicContact CZ-CG1 3.97Å; L763-I779 HydrophobicContact CB-CG2 4.16Å; L763-I779 HydrophobicContact CD2-CG2 4.49Å; Q766-I779 HydrophobicContact CB-CD1 4.04Å; L767-I779 HydrophobicContact CD1-CG2 4.45Å; L767-I779 HydrophobicContact CD2-CB 3.82Å; L767-I779 HydrophobicContact CD2-CD1 4.17Å; L767-I779 HydrophobicContact CD2-CG2 3.65Å; L767-I779 HydrophobicContact CG-CB 4.5Å; L767-I779 HydrophobicContact CG-CG2 3.82Å; D775-I779 WeakPolarHBondContact O-CG1 3.4Å; D775-I779 PolarHBondContact O-N 3.49Å; D775-I779 VanDerWaalsContact O-N 3.1Å; I779-Y781 VanDerWaalsContact C-N 3.27Å; I779-Y781 PolarHBondContact O-N 3.06Å; I779-I782 WeakPolarHBondContact O-CB 3.21Å; I779-I782 PolarHBondContact O-N 2.96Å; I779-I782 VanDerWaalsContact O-N 3.17Å; I779-L783 HydrophobicContact CG2-CD1 4.14Å; I779-L783 HydrophobicContact CG2-CG 4.49Å; I779-L783 WeakPolarHBondContact O-CG 3.41Å; I779-L783 PolarHBondContact O-N 3.39Å |
| 780 | L | 83.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -33.1 | 179.2 | -70.1 | 178.3 | 0 | 0 | 0 | 112.2 | L677 L767 Q776 A777 L783 Y784 L806 L807 L810 | L677-L780 HydrophobicContact CD2-CD1 4.44Å; L767-L780 HydrophobicContact CD1-CD2 4.01Å; L767-L780 HydrophobicContact CD2-CD2 4.38Å; L767-L780 HydrophobicContact CD2-CG 4.28Å; Q776-L780 WeakPolarHBondContact O-CB 3.5Å; Q776-L780 VanDerWaalsContact O-CG 3.24Å; Q776-L780 WeakPolarHBondContact O-CG 3.36Å; Q776-L780 PolarHBondContact O-N 2.82Å; A777-L780 PolarHBondContact O-N 2.94Å; L780-L783 HydrophobicContact CD2-CD1 4.36Å; L780-L783 PolarHBondContact O-N 3.38Å; L780-Y784 VanDerWaalsContact O-CB 3.24Å; L780-Y784 WeakPolarHBondContact O-CB 3.46Å; L780-Y784 PolarHBondContact O-N 2.96Å; L780-L806 HydrophobicContact CD1-CB 3.94Å; L780-L806 HydrophobicContact CD2-CB 3.76Å; L780-L806 HydrophobicContact CD2-CD1 3.67Å; L780-L806 HydrophobicContact CD2-CG 4.4Å; L780-L807 HydrophobicContact CB-CD2 3.7Å; L780-L807 HydrophobicContact CB-CG 4.2Å; L780-L807 HydrophobicContact CD1-CD2 3.92Å; L780-L807 HydrophobicContact CD1-CG 4.21Å; L780-L807 HydrophobicContact CG-CD2 4.47Å; L780-L810 HydrophobicContact CD1-CB 4.39Å; L780-L810 HydrophobicContact CD1-CD2 3.88Å |
| 781 | Y | 81.1 | Confident | 81 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 15% | 0.153 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 172.5 | 172 | -109.2 | 0 | 0 | 0 | 111.7 | A777 D778 I779 L783 Y784 V785 Y825 L829 | A777-Y781 VanDerWaalsContact O-CB 3.3Å; A777-Y781 WeakPolarHBondContact O-CB 3.49Å; A777-Y781 PolarHBondContact O-N 3.31Å; D778-Y781 PolarHBondContact O-N 3.13Å; I779-Y781 VanDerWaalsContact C-N 3.27Å; I779-Y781 PolarHBondContact O-N 3.06Å; Y781-L783 PolarHBondContact O-N 3.41Å; Y781-Y784 WeakPolarHBondContact O-CB 3.34Å; Y781-Y784 PolarHBondContact O-N 3.09Å; Y781-V785 HydrophobicContact CD2-CG2 4.07Å; Y781-V785 HydrophobicContact CE1-CG2 4.2Å; Y781-V785 HydrophobicContact CE2-CG2 3.64Å; Y781-V785 WeakPolarHBondContact O-CG2 3.34Å; Y781-V785 PolarHBondContact O-N 2.68Å; Y781-Y825 WeakPolarHBondContact CD2-OH 3.35Å; Y781-Y825 WeakPolarHBondContact CE2-OH 3.49Å; Y781-L829 HydrophobicContact CD2-CD1 4.16Å; Y781-L829 HydrophobicContact CD2-CD2 3.61Å; Y781-L829 HydrophobicContact CE2-CD2 3.96Å |
| 782 | I | 78.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 176.4 | -69.8 | 165.9 | 0 | 0 | 0 | 110.2 | I699 M703 W750 V758 L763 D778 I779 Y784 V785 I786 | I699-I782 HydrophobicContact CG2-CD1 4.32Å; I699-I782 HydrophobicContact CG2-CG1 4.11Å; M703-I782 HydrophobicContact CE-CB 4.4Å; M703-I782 HydrophobicContact CE-CG1 4.37Å; M703-I782 HydrophobicContact CE-CG2 3.74Å; W750-I782 HydrophobicContact CE3-CD1 4.29Å; W750-I782 HydrophobicContact CH2-CD1 3.9Å; W750-I782 HydrophobicContact CZ3-CD1 3.48Å; W750-I782 VanDerWaalsContact CZ3-CD1 3.48Å; V758-I782 HydrophobicContact CG1-CG2 4.47Å; L763-I782 HydrophobicContact CD1-CG2 3.65Å; D778-I782 WeakPolarHBondContact O-CG1 3.4Å; D778-I782 PolarHBondContact O-N 2.81Å; D778-I782 VanDerWaalsContact O-N 3.11Å; I779-I782 WeakPolarHBondContact O-CB 3.21Å; I779-I782 PolarHBondContact O-N 2.96Å; I779-I782 VanDerWaalsContact O-N 3.17Å; I782-Y784 VanDerWaalsContact C-N 3.33Å; I782-Y784 PolarHBondContact O-N 2.99Å; I782-V785 PolarHBondContact O-N 2.76Å; I782-I786 HydrophobicContact CG2-CD1 3.64Å; I782-I786 HydrophobicContact CG2-CG1 4.41Å; I782-I786 VanDerWaalsContact O-CG1 3.32Å; I782-I786 WeakPolarHBondContact O-CG1 3.41Å; I782-I786 PolarHBondContact O-N 2.86Å |
| 783 | L | 82 | Confident | 81.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.4 | -68.1 | 174.3 | 0 | 0 | 0 | 111.8 | C760 L763 V764 L767 I779 L780 Y781 V785 I786 K787 W791 V803 | C760-L783 HydrophobicContact CB-CD2 3.95Å; L763-L783 HydrophobicContact CB-CD2 4.28Å; L763-L783 HydrophobicContact CD1-CD2 4.28Å; V764-L783 HydrophobicContact CG2-CD1 3.91Å; L767-L783 HydrophobicContact CD1-CD1 4.48Å; I779-L783 HydrophobicContact CG2-CD1 4.14Å; I779-L783 HydrophobicContact CG2-CG 4.49Å; I779-L783 WeakPolarHBondContact O-CG 3.41Å; I779-L783 PolarHBondContact O-N 3.39Å; L780-L783 HydrophobicContact CD2-CD1 4.36Å; L780-L783 PolarHBondContact O-N 3.38Å; Y781-L783 PolarHBondContact O-N 3.41Å; L783-V785 PolarHBondContact O-N 3.1Å; L783-I786 PolarHBondContact O-N 3.45Å; L783-K787 WeakPolarHBondContact O-CB 3.37Å; L783-K787 PolarHBondContact O-N 3.49Å; L783-W791 HydrophobicContact CD1-CZ3 4.44Å; L783-W791 HydrophobicContact CD2-CZ3 3.95Å; L783-V803 HydrophobicContact CB-CG1 4.44Å; L783-V803 HydrophobicContact CB-CG2 4.09Å |
| 784 | Y | 83.3 | Confident | 81.6 | Confident | 61 Ų | 61 | 35.9 Ų | 35.9 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 176 | 179.1 | -84.6 | 0 | 0 | 0 | 112 | L780 Y781 I782 G788 P789 L807 L829 | L780-Y784 VanDerWaalsContact O-CB 3.24Å; L780-Y784 WeakPolarHBondContact O-CB 3.46Å; L780-Y784 PolarHBondContact O-N 2.96Å; Y781-Y784 WeakPolarHBondContact O-CB 3.34Å; Y781-Y784 PolarHBondContact O-N 3.09Å; I782-Y784 VanDerWaalsContact C-N 3.33Å; I782-Y784 PolarHBondContact O-N 2.99Å; Y784-G788 WeakPolarHBondContact O-CA 3.28Å; Y784-G788 PolarHBondContact O-N 3.45Å; Y784-P789 HydrophobicContact CD2-CB 4.07Å; Y784-P789 HydrophobicContact CE2-CB 3.76Å; Y784-P789 HydrophobicContact CE2-CG 4.11Å; Y784-L807 HydrophobicContact CD2-CD1 3.93Å; Y784-L829 HydrophobicContact CD1-CD2 4.41Å |
| 785 | V | 78.2 | Confident | 81.6 | Confident | 50 Ų | 50 | 34.3 Ų | 34.3 | 30% | 0.303 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.2 | -36 | -178.7 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | M703 Y781 I782 L783 | M703-V785 HydrophobicContact SD-CG1 4.09Å; Y781-V785 HydrophobicContact CD2-CG2 4.07Å; Y781-V785 HydrophobicContact CE1-CG2 4.2Å; Y781-V785 HydrophobicContact CE2-CG2 3.64Å; Y781-V785 WeakPolarHBondContact O-CG2 3.34Å; Y781-V785 PolarHBondContact O-N 2.68Å; I782-V785 PolarHBondContact O-N 2.76Å; L783-V785 PolarHBondContact O-N 3.1Å |
| 786 | I | 78.9 | Confident | 80.9 | Confident | 59 Ų | 59 | 36.1 Ų | 36.1 | 30% | 0.303 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -81.9 | -50.8 | -178 | -62.1 | 172.9 | 0 | 0 | 0 | 111.4 | M703 V758 I782 L783 | M703-I786 HydrophobicContact CE-CD1 3.65Å; M703-I786 HydrophobicContact CE-CG1 3.62Å; M703-I786 HydrophobicContact SD-CG1 4.33Å; V758-I786 HydrophobicContact CB-CD1 3.94Å; V758-I786 HydrophobicContact CG1-CD1 3.97Å; V758-I786 HydrophobicContact CG2-CD1 4.42Å; I782-I786 HydrophobicContact CG2-CD1 3.64Å; I782-I786 HydrophobicContact CG2-CG1 4.41Å; I782-I786 VanDerWaalsContact O-CG1 3.32Å; I782-I786 WeakPolarHBondContact O-CG1 3.41Å; I782-I786 PolarHBondContact O-N 2.86Å; L783-I786 PolarHBondContact O-N 3.45Å |
| 787 | K | 83.1 | Confident | 79.9 | Confident | 103 Ų | 103 | 39.7 Ų | 39.7 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -106.3 | -17.3 | -168.3 | -61.2 | -68.2 | -175.9 | 177.7 | 0 | 113.8 | C760 L783 W791 | C760-K787 WeakPolarHBondContact SG-CE 3.32Å; L783-K787 WeakPolarHBondContact O-CB 3.37Å; L783-K787 PolarHBondContact O-N 3.49Å; K787-W791 HydrophobicContact CB-CB 3.61Å; K787-W791 HydrophobicContact CB-CD2 3.74Å; K787-W791 HydrophobicContact CB-CE3 4.23Å; K787-W791 HydrophobicContact CB-CG 3.44Å; K787-W791 VanDerWaalsContact CB-CG 3.44Å; K787-W791 HydrophobicContact CD-CG 4.48Å; K787-W791 HydrophobicContact CG-CD2 3.86Å; K787-W791 HydrophobicContact CG-CE3 4.29Å; K787-W791 HydrophobicContact CG-CG 4.01Å |
| 788 | G | 82.1 | Confident | 78.6 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | trans | 88.6 | 168.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y784 S790 W791 | Y784-G788 WeakPolarHBondContact O-CA 3.28Å; Y784-G788 PolarHBondContact O-N 3.45Å; G788-S790 PolarHBondContact O-N 3.21Å; G788-W791 PolarHBondContact O-N 3.47Å | ||
| 789 | P | 84.6 | Confident | 77.9 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -32.2 | -174.9 | 21.9 | -31.5 | 0 | 0 | 0 | 114.7 | Y784 W791 T802 V803 Q804 | Y784-P789 HydrophobicContact CD2-CB 4.07Å; Y784-P789 HydrophobicContact CE2-CB 3.76Å; Y784-P789 HydrophobicContact CE2-CG 4.11Å; P789-W791 VanDerWaalsContact C-N 3.32Å; P789-T802 WeakPolarHBondContact O-CB 3.43Å; P789-V803 PolarHBondContact O-N 3.44Å; P789-Q804 HydrophobicContact CB-CB 4.15Å; P789-Q804 WeakPolarHBondContact O-CB 3.48Å; P789-Q804 PolarHBondContact O-N 2.89Å |
| 790 | S | 86.4 | Confident | 77.7 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 3.3 | -175.1 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | G788 D792 R800 | G788-S790 PolarHBondContact O-N 3.21Å; S790-D792 PolarHBondContact O-N 3.48Å; S790-R800 PolarHBondContact O-NH2 3.2Å |
| 791 | W | 87.3 | Confident | 77.7 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | trans | -68.6 | 129.2 | 177.3 | -175.3 | 69.5 | 0 | 0 | 0 | 110.9 | C760 V764 L783 K787 G788 P789 T793 T802 V803 | C760-W791 HydrophobicContact CB-CH2 4.18Å; C760-W791 HydrophobicContact CB-CZ2 4.47Å; V764-W791 HydrophobicContact CG2-CH2 3.97Å; V764-W791 HydrophobicContact CG2-CZ3 3.83Å; L783-W791 HydrophobicContact CD1-CZ3 4.44Å; L783-W791 HydrophobicContact CD2-CZ3 3.95Å; K787-W791 HydrophobicContact CB-CB 3.61Å; K787-W791 HydrophobicContact CB-CD2 3.74Å; K787-W791 HydrophobicContact CB-CE3 4.23Å; K787-W791 HydrophobicContact CB-CG 3.44Å; K787-W791 VanDerWaalsContact CB-CG 3.44Å; K787-W791 HydrophobicContact CD-CG 4.48Å; K787-W791 HydrophobicContact CG-CD2 3.86Å; K787-W791 HydrophobicContact CG-CE3 4.29Å; K787-W791 HydrophobicContact CG-CG 4.01Å; G788-W791 PolarHBondContact O-N 3.47Å; P789-W791 VanDerWaalsContact C-N 3.32Å; W791-T793 HydrophobicContact CE3-CG2 3.91Å; W791-T793 HydrophobicContact CZ3-CG2 3.82Å; W791-T802 CarbonylContact O-C 3.5Å; W791-T802 WeakPolarHBondContact O-CA 3.49Å; W791-V803 HydrophobicContact CB-CG2 4.27Å; W791-V803 HydrophobicContact CE3-CG2 3.82Å; W791-V803 PolarHBondContact O-N 2.83Å | ||
| 792 | D | 84.9 | Confident | 78 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 126.2 | 178.1 | -170.3 | 3.8 | 0 | 0 | 0 | 110.5 | S790 N794 R800 V801 | S790-D792 PolarHBondContact O-N 3.48Å; D792-N794 PolarHBondContact OD1-N 3.45Å; D792-N794 PolarHBondContact OD2-OD1 3.17Å; D792-R800 HydrophobicContact CB-CG 4.11Å; D792-R800 WeakPolarHBondContact OD2-CG 3.23Å; D792-V801 PolarHBondContact OD1-N 3.13Å; D792-V801 VanDerWaalsContact OD1-O 3.08Å |
| 793 | T | 82.6 | Confident | 78.3 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | trans | -87.9 | -8.8 | -178.9 | 61.5 | 0 | 0 | 0 | 0 | 113 | V764 W791 L795 V801 V803 L806 | V764-T793 HydrophobicContact CG2-CG2 4.49Å; W791-T793 HydrophobicContact CE3-CG2 3.91Å; W791-T793 HydrophobicContact CZ3-CG2 3.82Å; T793-L795 PolarHBondContact O-N 2.98Å; T793-V801 PolarHBondContact N-O 3.36Å; T793-V801 PolarHBondContact OG1-O 3.08Å; T793-V803 HydrophobicContact CG2-CG2 3.96Å; T793-L806 HydrophobicContact CG2-CD1 3.55Å | ||
| 794 | N | 79.2 | Confident | 78.5 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | 55.9 | 15.8 | -177.1 | -65.1 | -44.9 | 0 | 0 | 0 | 115 | D792 S796 G797 | D792-N794 PolarHBondContact OD1-N 3.45Å; D792-N794 PolarHBondContact OD2-OD1 3.17Å; N794-S796 VanDerWaalsContact C-N 3.26Å; N794-S796 PolarHBondContact O-N 3.46Å; N794-G797 PolarHBondContact O-N 2.9Å | ||
| 795 | L | 75.7 | Confident | 78.6 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26.1 | -175.2 | -86.2 | 165.7 | 0 | 0 | 0 | 114.1 | V764 L767 T793 L806 | V764-L795 HydrophobicContact CG1-CD1 4.14Å; V764-L795 HydrophobicContact CG1-CD2 3.69Å; V764-L795 HydrophobicContact CG1-CG 3.66Å; L767-L795 HydrophobicContact CD1-CD1 4.24Å; T793-L795 PolarHBondContact O-N 2.98Å; L795-L806 HydrophobicContact CD1-CD1 3.62Å; L795-L806 HydrophobicContact CD1-CD2 3.85Å; L795-L806 HydrophobicContact CD1-CG 4.39Å |
| 796 | S | 64.3 | Low | 79 | Confident | 43 Ų | 43 | 60 Ų | 60 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -3.4 | -175.6 | 85.9 | 0 | 0 | 0 | 0 | 115.3 | N794 Q798 H799 V801 | N794-S796 VanDerWaalsContact C-N 3.26Å; N794-S796 PolarHBondContact O-N 3.46Å; S796-Q798 PolarHBondContact O-N 3.42Å; S796-H799 PolarHBondContact OG-N 3.09Å; S796-H799 PolarHBondContact OG-O 2.46Å; S796-V801 WeakPolarHBondContact OG-CG2 3.47Å |
| 797 | G | 61 | Low | 79.4 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 78% | 0.784 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 64.7 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | N794 | N794-G797 PolarHBondContact O-N 2.9Š|
| 798 | Q | 55 | Low | 79.6 | Confident | 182 Ų | 182 | 54.1 Ų | 54.1 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -107.4 | -20.5 | -175.2 | -68.6 | -179.9 | -13.8 | 0 | 0 | 113.5 | S796 | S796-Q798 PolarHBondContact O-N 3.42Š|
| 799 | H | 62.8 | Low | 79.9 | Confident | 106 Ų | 106 | 54 Ų | 54 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -125.5 | 140.5 | 177.8 | -65.7 | 77.2 | 0 | 0 | 0 | 110.5 | S796 V801 | S796-H799 PolarHBondContact OG-N 3.09Å; S796-H799 PolarHBondContact OG-O 2.46Å; H799-V801 PolarHBondContact O-N 3.07Å |
| 800 | R | 76.7 | Confident | 80 | Confident | 167 Ų | 167 | 51.9 Ų | 51.9 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | trans | -62.3 | 117.1 | 172.5 | -175 | 173.2 | -173.7 | -169.9 | -3.2 | 108.8 | S790 D792 T802 | S790-R800 PolarHBondContact O-NH2 3.2Å; D792-R800 HydrophobicContact CB-CG 4.11Å; D792-R800 WeakPolarHBondContact OD2-CG 3.23Å; R800-T802 HydrophobicContact CG-CG2 4.46Å | ||
| 801 | V | 82.7 | Confident | 80 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -119.3 | 104.9 | -179.2 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | Y676 D792 T793 S796 H799 N805 L806 | Y676-V801 HydrophobicContact CD1-CG1 4.42Å; Y676-V801 HydrophobicContact CD1-CG2 3.44Å; Y676-V801 VanDerWaalsContact CD1-CG2 3.44Å; Y676-V801 HydrophobicContact CD2-CG1 4.13Å; Y676-V801 HydrophobicContact CD2-CG2 4.33Å; Y676-V801 HydrophobicContact CE1-CG2 3.68Å; Y676-V801 HydrophobicContact CE2-CG2 4.49Å; Y676-V801 HydrophobicContact CG-CG1 3.88Å; Y676-V801 HydrophobicContact CG-CG2 3.77Å; D792-V801 PolarHBondContact OD1-N 3.13Å; D792-V801 VanDerWaalsContact OD1-O 3.08Å; T793-V801 PolarHBondContact N-O 3.36Å; T793-V801 PolarHBondContact OG1-O 3.08Å; S796-V801 WeakPolarHBondContact OG-CG2 3.47Å; H799-V801 PolarHBondContact O-N 3.07Å; V801-N805 HydrophobicContact CG1-CB 4.35Å; V801-L806 HydrophobicContact CG1-CD2 3.61Å; V801-L806 HydrophobicContact CG1-CG 3.92Å | ||
| 802 | T | 87.8 | Confident | 79.8 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 159.5 | -176.8 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | P789 W791 R800 Q804 N805 L806 | P789-T802 WeakPolarHBondContact O-CB 3.43Å; W791-T802 CarbonylContact O-C 3.5Å; W791-T802 WeakPolarHBondContact O-CA 3.49Å; R800-T802 HydrophobicContact CG-CG2 4.46Å; T802-Q804 PolarHBondContact O-N 3.48Å; T802-N805 PolarHBondContact N-OD1 3.21Å; T802-N805 WeakPolarHBondContact O-CB 3.42Å; T802-N805 PolarHBondContact O-N 2.94Å; T802-N805 VanDerWaalsContact OG1-CG 3.31Å; T802-N805 PolarHBondContact OG1-N 2.89Å; T802-N805 PolarHBondContact OG1-OD1 3Å; T802-N805 VanDerWaalsContact OG1-OD1 3.12Å; T802-L806 PolarHBondContact O-N 3.48Å; T802-L806 VanDerWaalsContact O-N 3.13Å |
| 803 | V | 85.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.2 | -38.3 | 170.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | L783 P789 W791 T793 L806 L807 | L783-V803 HydrophobicContact CB-CG1 4.44Å; L783-V803 HydrophobicContact CB-CG2 4.09Å; P789-V803 PolarHBondContact O-N 3.44Å; W791-V803 HydrophobicContact CB-CG2 4.27Å; W791-V803 HydrophobicContact CE3-CG2 3.82Å; W791-V803 PolarHBondContact O-N 2.83Å; T793-V803 HydrophobicContact CG2-CG2 3.96Å; V803-L806 PolarHBondContact O-N 2.92Å; V803-L807 HydrophobicContact CG1-CD1 4.05Å; V803-L807 HydrophobicContact CG1-CG 4.39Å; V803-L807 WeakPolarHBondContact O-CB 3.34Å; V803-L807 WeakPolarHBondContact O-CG 3.33Å; V803-L807 PolarHBondContact O-N 3.17Å |
| 804 | Q | 86.4 | Confident | 80 | Confident | 61 Ų | 61 | 48 Ų | 48 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 175.3 | -177.5 | 168.9 | -14.8 | 0 | 0 | 113.5 | D639 P789 T802 S808 L830 | D639-Q804 PolarHBondContact OD2-OE1 3.46Å; P789-Q804 HydrophobicContact CB-CB 4.15Å; P789-Q804 WeakPolarHBondContact O-CB 3.48Å; P789-Q804 PolarHBondContact O-N 2.89Å; T802-Q804 PolarHBondContact O-N 3.48Å; Q804-S808 WeakPolarHBondContact O-CB 3.28Å; Q804-S808 PolarHBondContact O-N 3.45Å; Q804-S808 PolarHBondContact O-OG 2.85Å; Q804-L830 HydrophobicContact CG-CD2 4.05Å |
| 805 | N | 85.9 | Confident | 80.2 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 173.7 | -60.1 | 142.4 | 0 | 0 | 0 | 111.1 | Y676 V801 T802 S808 E809 | Y676-N805 HydrophobicContact CD2-CB 4.27Å; Y676-N805 HydrophobicContact CE2-CB 4.24Å; V801-N805 HydrophobicContact CG1-CB 4.35Å; T802-N805 PolarHBondContact N-OD1 3.21Å; T802-N805 WeakPolarHBondContact O-CB 3.42Å; T802-N805 PolarHBondContact O-N 2.94Å; T802-N805 VanDerWaalsContact OG1-CG 3.31Å; T802-N805 PolarHBondContact OG1-N 2.89Å; T802-N805 PolarHBondContact OG1-OD1 3Å; T802-N805 VanDerWaalsContact OG1-OD1 3.12Å; N805-S808 PolarHBondContact O-N 3.34Å; N805-E809 PolarHBondContact O-N 3.43Å |
| 806 | L | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 177.7 | -60.1 | 175.8 | 0 | 0 | 0 | 111.9 | L677 L767 L780 T793 L795 V801 T802 V803 S808 E809 L810 | L677-L806 VanDerWaalsContact CD1-O 3.32Å; L677-L806 WeakPolarHBondContact CD1-O 3.47Å; L677-L806 HydrophobicContact CD2-CB 4.12Å; L677-L806 HydrophobicContact CD2-CD2 3.87Å; L677-L806 HydrophobicContact CD2-CG 4.41Å; L677-L806 HydrophobicContact CG-CB 4.23Å; L677-L806 HydrophobicContact CG-CD2 3.83Å; L767-L806 HydrophobicContact CD1-CD1 4.38Å; L780-L806 HydrophobicContact CD1-CB 3.94Å; L780-L806 HydrophobicContact CD2-CB 3.76Å; L780-L806 HydrophobicContact CD2-CD1 3.67Å; L780-L806 HydrophobicContact CD2-CG 4.4Å; T793-L806 HydrophobicContact CG2-CD1 3.55Å; L795-L806 HydrophobicContact CD1-CD1 3.62Å; L795-L806 HydrophobicContact CD1-CD2 3.85Å; L795-L806 HydrophobicContact CD1-CG 4.39Å; V801-L806 HydrophobicContact CG1-CD2 3.61Å; V801-L806 HydrophobicContact CG1-CG 3.92Å; T802-L806 PolarHBondContact O-N 3.48Å; T802-L806 VanDerWaalsContact O-N 3.13Å; V803-L806 PolarHBondContact O-N 2.92Å; L806-S808 VanDerWaalsContact C-N 3.29Å; L806-S808 PolarHBondContact O-N 3.47Å; L806-E809 PolarHBondContact O-N 3.41Å; L806-L810 WeakPolarHBondContact O-CB 3.1Å; L806-L810 PolarHBondContact O-N 3.22Å |
| 807 | L | 87.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 174.4 | -75.8 | 170.6 | 0 | 0 | 0 | 112.1 | L780 Y784 V803 L810 Y811 I826 L829 L830 | L780-L807 HydrophobicContact CB-CD2 3.7Å; L780-L807 HydrophobicContact CB-CG 4.2Å; L780-L807 HydrophobicContact CD1-CD2 3.92Å; L780-L807 HydrophobicContact CD1-CG 4.21Å; L780-L807 HydrophobicContact CG-CD2 4.47Å; Y784-L807 HydrophobicContact CD2-CD1 3.93Å; V803-L807 HydrophobicContact CG1-CD1 4.05Å; V803-L807 HydrophobicContact CG1-CG 4.39Å; V803-L807 WeakPolarHBondContact O-CB 3.34Å; V803-L807 WeakPolarHBondContact O-CG 3.33Å; V803-L807 PolarHBondContact O-N 3.17Å; L807-L810 PolarHBondContact O-N 3.45Å; L807-Y811 WeakPolarHBondContact O-CB 3.43Å; L807-Y811 PolarHBondContact O-N 3.46Å; L807-I826 HydrophobicContact CD2-CG2 4.41Å; L807-I826 WeakPolarHBondContact O-CG2 3.25Å; L807-L829 HydrophobicContact CD1-CB 4.5Å; L807-L829 HydrophobicContact CD2-CD1 4.2Å; L807-L830 HydrophobicContact CB-CD1 4.49Å; L807-L830 HydrophobicContact CB-CD2 3.69Å; L807-L830 HydrophobicContact CB-CG 4.16Å; L807-L830 HydrophobicContact CD1-CD2 4.41Å |
| 808 | S | 86.9 | Confident | 82.4 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.5 | -37.5 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | Q804 N805 L806 Y811 G812 | Q804-S808 WeakPolarHBondContact O-CB 3.28Å; Q804-S808 PolarHBondContact O-N 3.45Å; Q804-S808 PolarHBondContact O-OG 2.85Å; N805-S808 PolarHBondContact O-N 3.34Å; L806-S808 VanDerWaalsContact C-N 3.29Å; L806-S808 PolarHBondContact O-N 3.47Å; S808-Y811 WeakPolarHBondContact O-CB 3.46Å; S808-G812 PolarHBondContact O-N 3.42Å |
| 809 | E | 86.9 | Confident | 83.8 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.1 | -42.7 | 171.8 | -175.2 | -174.7 | 164.2 | 0 | 0 | 111.7 | Y676 L677 N805 L806 Y811 G812 K813 | Y676-E809 WeakPolarHBondContact CA-OE2 3.25Å; Y676-E809 PolarHBondContact N-OE2 3.36Å; L677-E809 WeakPolarHBondContact CB-OE1 3.46Å; L677-E809 HydrophobicContact CD1-CB 4.11Å; L677-E809 HydrophobicContact CD1-CG 4.2Å; L677-E809 PolarHBondContact N-OE1 3.37Å; L677-E809 PolarHBondContact N-OE2 3.03Å; N805-E809 PolarHBondContact O-N 3.43Å; L806-E809 PolarHBondContact O-N 3.41Å; E809-Y811 VanDerWaalsContact C-N 3.29Å; E809-Y811 PolarHBondContact O-N 3.49Å; E809-G812 WeakPolarHBondContact O-CA 3.44Å; E809-G812 PolarHBondContact O-N 3.14Å; E809-K813 PolarHBondContact O-N 3.16Å; E809-K813 WeakPolarHBondContact OE1-CE 3.37Å; E809-K813 IonicContact OE1-NZ 2.78Å; E809-K813 PolarHBondContact OE1-NZ 3.09Å |
| 810 | L | 87.1 | Confident | 85 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 177.5 | -170.2 | 61.5 | 0 | 0 | 0 | 111.4 | L677 L773 Q776 A777 L780 L806 L807 G812 K813 A814 I826 | L677-L810 HydrophobicContact CD1-CB 3.82Å; L677-L810 HydrophobicContact CD1-CD1 4.3Å; L773-L810 HydrophobicContact CB-CD1 4.19Å; L773-L810 HydrophobicContact CD2-CD1 3.81Å; L773-L810 HydrophobicContact CG-CD1 4.46Å; Q776-L810 HydrophobicContact CB-CD1 4.12Å; Q776-L810 HydrophobicContact CB-CD2 4.22Å; A777-L810 HydrophobicContact CB-CD2 3.7Å; L780-L810 HydrophobicContact CD1-CB 4.39Å; L780-L810 HydrophobicContact CD1-CD2 3.88Å; L806-L810 WeakPolarHBondContact O-CB 3.1Å; L806-L810 PolarHBondContact O-N 3.22Å; L807-L810 PolarHBondContact O-N 3.45Å; L810-G812 VanDerWaalsContact C-N 3.3Å; L810-G812 PolarHBondContact O-N 3.35Å; L810-K813 PolarHBondContact O-N 3.08Å; L810-A814 WeakPolarHBondContact O-CB 3.26Å; L810-A814 PolarHBondContact O-N 3.42Å; L810-I826 HydrophobicContact CB-CD1 4.28Å; L810-I826 HydrophobicContact CD2-CD1 3.85Å; L810-I826 HydrophobicContact CG-CD1 3.68Å |
| 811 | Y | 87.9 | Confident | 85.3 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.4 | -46.2 | 170.9 | 170.2 | -90.8 | 0 | 0 | 0 | 111.6 | F530 Y531 L807 S808 E809 G815 I823 S827 L830 K832 | F530-Y811 VanDerWaalsContact C-OH 3.31Å; F530-Y811 WeakPolarHBondContact CA-OH 3.46Å; Y531-Y811 WeakPolarHBondContact CA-OH 3.29Å; Y531-Y811 WeakPolarHBondContact CB-OH 3.31Å; Y531-Y811 HydrophobicContact CD1-CE2 4.05Å; Y531-Y811 PolarHBondContact N-OH 2.78Å; L807-Y811 WeakPolarHBondContact O-CB 3.43Å; L807-Y811 PolarHBondContact O-N 3.46Å; S808-Y811 WeakPolarHBondContact O-CB 3.46Å; E809-Y811 VanDerWaalsContact C-N 3.29Å; E809-Y811 PolarHBondContact O-N 3.49Å; Y811-G815 PolarHBondContact O-N 2.74Å; Y811-I823 HydrophobicContact CD2-CG2 4.2Å; Y811-I823 HydrophobicContact CE2-CG2 3.81Å; Y811-S827 VanDerWaalsContact CE2-OG 3.28Å; Y811-S827 WeakPolarHBondContact CE2-OG 2.97Å; Y811-L830 HydrophobicContact CG-CD1 4.48Å; Y811-K832 HydrophobicContact CD2-CD 4.21Å; Y811-K832 HydrophobicContact CE1-CD 4.44Å; Y811-K832 HydrophobicContact CE2-CD 3.81Å; Y811-K832 VanDerWaalsContact CZ-NZ 3.34Å |
| 812 | G | 83 | Confident | 85.4 | Confident | 19 Ų | 19 | 30.6 Ų | 30.6 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S808 E809 L810 G815 L816 | S808-G812 PolarHBondContact O-N 3.42Å; E809-G812 WeakPolarHBondContact O-CA 3.44Å; E809-G812 PolarHBondContact O-N 3.14Å; L810-G812 VanDerWaalsContact C-N 3.3Å; L810-G812 PolarHBondContact O-N 3.35Å; G812-G815 PolarHBondContact O-N 3.02Å; G812-L816 WeakPolarHBondContact O-CG 3.28Å; G812-L816 PolarHBondContact O-N 3.43Å |
| 813 | K | 84.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 29.7 Ų | 29.7 | 24% | 0.235 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.4 | -70.1 | -179.9 | -178 | 170.2 | 0 | 112.3 | L677 L773 E809 L810 G815 L816 N817 | L677-K813 VanDerWaalsContact CB-NZ 3.28Å; L677-K813 PolarHBondContact O-NZ 3.45Å; L773-K813 HydrophobicContact CD1-CB 4.17Å; L773-K813 HydrophobicContact CD2-CB 4.19Å; L773-K813 HydrophobicContact CD2-CD 4.45Å; E809-K813 PolarHBondContact O-N 3.16Å; E809-K813 WeakPolarHBondContact OE1-CE 3.37Å; E809-K813 IonicContact OE1-NZ 2.78Å; E809-K813 PolarHBondContact OE1-NZ 3.09Å; L810-K813 PolarHBondContact O-N 3.08Å; K813-G815 VanDerWaalsContact C-N 3.26Å; K813-G815 PolarHBondContact O-N 3.4Å; K813-L816 PolarHBondContact O-N 2.89Å; K813-N817 PolarHBondContact O-N 2.98Å; K813-N817 VanDerWaalsContact O-N 3.1Å |
| 814 | A | 85.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L773 L810 N817 Q818 E819 L822 I823 I826 | L773-A814 HydrophobicContact CD1-CB 4.36Å; L810-A814 WeakPolarHBondContact O-CB 3.26Å; L810-A814 PolarHBondContact O-N 3.42Å; A814-N817 CarbonylContact O-C 3.43Å; A814-N817 PolarHBondContact O-N 3.35Å; A814-Q818 PolarHBondContact O-N 2.86Å; A814-E819 PolarHBondContact O-N 3.34Å; A814-E819 VanDerWaalsContact O-N 3.1Å; A814-L822 HydrophobicContact CB-CD2 4.14Å; A814-L822 HydrophobicContact CB-CG 4.25Å; A814-I823 HydrophobicContact CB-CG1 3.68Å; A814-I823 WeakPolarHBondContact O-CD1 3.32Å; A814-I826 HydrophobicContact CB-CD1 4.16Å |
| 815 | G | 83.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L534 Y811 G812 K813 N817 Q818 | L534-G815 VanDerWaalsContact CD1-CA 3.45Å; Y811-G815 PolarHBondContact O-N 2.74Å; G812-G815 PolarHBondContact O-N 3.02Å; K813-G815 VanDerWaalsContact C-N 3.26Å; K813-G815 PolarHBondContact O-N 3.4Å; G815-N817 VanDerWaalsContact C-N 3.27Å; G815-N817 PolarHBondContact O-N 3.4Å; G815-Q818 PolarHBondContact O-N 3.44Å; G815-Q818 VanDerWaalsContact O-N 3.1Å |
| 816 | L | 80.5 | Confident | 85.4 | Confident | 126 Ų | 126 | 25.4 Ų | 25.4 | 66% | 0.66 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -62.8 | -33.4 | 177.2 | -69.5 | 170.6 | 0 | 0 | 0 | 112.6 | T569 G812 K813 Q818 | T569-L816 HydrophobicContact CG2-CD2 4.43Å; G812-L816 WeakPolarHBondContact O-CG 3.28Å; G812-L816 PolarHBondContact O-N 3.43Å; K813-L816 PolarHBondContact O-N 2.89Å; L816-Q818 VanDerWaalsContact C-N 3.33Å |
| 817 | N | 82.6 | Confident | 85.5 | Confident | 80 Ų | 80 | 25.4 Ų | 25.4 | 43% | 0.428 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.7 | 176.3 | -71.8 | 2.8 | 0 | 0 | 0 | 113.9 | L773 K813 A814 G815 E819 | L773-N817 HydrophobicContact CD1-CB 4.44Å; L773-N817 VanDerWaalsContact CD1-ND2 3.28Å; L773-N817 WeakPolarHBondContact CD1-ND2 3.23Å; K813-N817 PolarHBondContact O-N 2.98Å; K813-N817 VanDerWaalsContact O-N 3.1Å; A814-N817 CarbonylContact O-C 3.43Å; A814-N817 PolarHBondContact O-N 3.35Å; G815-N817 VanDerWaalsContact C-N 3.27Å; G815-N817 PolarHBondContact O-N 3.4Å; N817-E819 VanDerWaalsContact C-N 3.26Å; N817-E819 HydrophobicContact CB-CG 3.98Å; N817-E819 PolarHBondContact ND2-OE1 3.17Å; N817-E819 PolarHBondContact O-N 2.94Å |
| 818 | Q | 83.4 | Confident | 85.4 | Confident | 57 Ų | 57 | 25.4 Ų | 25.4 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 36.5 | -175.1 | -60 | -179.8 | -19.8 | 0 | 0 | 113.6 | A814 G815 L816 W820 | A814-Q818 PolarHBondContact O-N 2.86Å; G815-Q818 PolarHBondContact O-N 3.44Å; G815-Q818 VanDerWaalsContact O-N 3.1Å; L816-Q818 VanDerWaalsContact C-N 3.33Å; Q818-W820 VanDerWaalsContact C-N 3.33Å; Q818-W820 HydrophobicContact CB-CH2 4.41Å; Q818-W820 HydrophobicContact CB-CZ2 3.81Å; Q818-W820 HydrophobicContact CG-CH2 4.27Å; Q818-W820 HydrophobicContact CG-CZ2 3.93Å; Q818-W820 PolarHBondContact O-N 3.27Å; Q818-W820 PolarHBondContact O-NE1 2.89Å |
| 819 | E | 84.6 | Confident | 85.2 | Confident | 57 Ų | 57 | 24 Ų | 24 | 27% | 0.266 | 12% | 0.124 | S | C | . | . | trans | -81.5 | 75.3 | 176.5 | -69.9 | 176.9 | -149.3 | 0 | 0 | 110.5 | A814 N817 G821 L822 I823 | A814-E819 PolarHBondContact O-N 3.34Å; A814-E819 VanDerWaalsContact O-N 3.1Å; N817-E819 VanDerWaalsContact C-N 3.26Å; N817-E819 HydrophobicContact CB-CG 3.98Å; N817-E819 PolarHBondContact ND2-OE1 3.17Å; N817-E819 PolarHBondContact O-N 2.94Å; E819-G821 PolarHBondContact O-N 2.77Å; E819-L822 HydrophobicContact CB-CB 4Å; E819-L822 WeakPolarHBondContact O-CB 2.86Å; E819-L822 PolarHBondContact O-N 2.82Å; E819-L822 WeakPolarHBondContact OE2-CD2 3.34Å; E819-I823 VanDerWaalsContact O-CG1 3.3Å; E819-I823 WeakPolarHBondContact O-CG1 3.47Å; E819-I823 PolarHBondContact O-N 3.09Å | ||
| 820 | W | 88.3 | Confident | 85.2 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 9% | 0.087 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.6 | -42.2 | -167.4 | -55.4 | 117.6 | 0 | 0 | 0 | 115.4 | Y531 L534 D535 Q818 L822 I823 R824 P948 | Y531-W820 HydrophobicContact CD2-CE3 4.3Å; Y531-W820 HydrophobicContact CD2-CZ3 4.23Å; L534-W820 HydrophobicContact CB-CH2 4.19Å; L534-W820 HydrophobicContact CB-CZ3 4.32Å; D535-W820 HydrophobicContact CB-CH2 3.79Å; D535-W820 HydrophobicContact CB-CZ2 4.12Å; Q818-W820 VanDerWaalsContact C-N 3.33Å; Q818-W820 HydrophobicContact CB-CH2 4.41Å; Q818-W820 HydrophobicContact CB-CZ2 3.81Å; Q818-W820 HydrophobicContact CG-CH2 4.27Å; Q818-W820 HydrophobicContact CG-CZ2 3.93Å; Q818-W820 PolarHBondContact O-N 3.27Å; Q818-W820 PolarHBondContact O-NE1 2.89Å; W820-L822 VanDerWaalsContact C-N 3.33Å; W820-L822 PolarHBondContact O-N 2.94Å; W820-I823 HydrophobicContact CE3-CD1 3.77Å; W820-I823 HydrophobicContact CZ3-CD1 4.05Å; W820-I823 PolarHBondContact O-N 3.47Å; W820-R824 WeakPolarHBondContact O-CB 3.5Å; W820-R824 WeakPolarHBondContact O-CG 3.21Å; W820-R824 PolarHBondContact O-N 2.77Å; W820-P948 HydrophobicContact CE3-CG 4.25Å; W820-P948 HydrophobicContact CZ3-CG 4.11Å |
| 821 | G | 83.9 | Confident | 85.1 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E819 Y825 M944 N945 | E819-G821 PolarHBondContact O-N 2.77Å; G821-Y825 WeakPolarHBondContact O-CB 3.25Å; G821-Y825 PolarHBondContact O-N 2.95Å; G821-Y825 VanDerWaalsContact O-N 3.09Å; G821-M944 VanDerWaalsContact CA-O 3.24Å; G821-M944 WeakPolarHBondContact CA-O 3.42Å; G821-M944 PolarHBondContact N-O 2.64Å; G821-N945 WeakPolarHBondContact CA-OD1 3.31Å; G821-N945 PolarHBondContact N-OD1 3.2Å |
| 822 | L | 83.6 | Confident | 84.9 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.2 | -42.5 | 177.5 | -173.9 | 57.4 | 0 | 0 | 0 | 111.8 | L773 A777 A814 E819 W820 R824 Y825 I826 | L773-L822 HydrophobicContact CB-CD2 3.71Å; A777-L822 HydrophobicContact CB-CD1 3.57Å; A814-L822 HydrophobicContact CB-CD2 4.14Å; A814-L822 HydrophobicContact CB-CG 4.25Å; E819-L822 HydrophobicContact CB-CB 4Å; E819-L822 WeakPolarHBondContact O-CB 2.86Å; E819-L822 PolarHBondContact O-N 2.82Å; E819-L822 WeakPolarHBondContact OE2-CD2 3.34Å; W820-L822 VanDerWaalsContact C-N 3.33Å; W820-L822 PolarHBondContact O-N 2.94Å; L822-R824 PolarHBondContact O-N 2.82Å; L822-Y825 HydrophobicContact CD1-CD1 4.36Å; L822-Y825 WeakPolarHBondContact O-CB 3.18Å; L822-Y825 PolarHBondContact O-N 2.94Å; L822-I826 HydrophobicContact CD1-CD1 4.05Å; L822-I826 HydrophobicContact CD1-CG1 4.24Å; L822-I826 HydrophobicContact CD2-CD1 4.42Å; L822-I826 HydrophobicContact CG-CD1 3.78Å; L822-I826 HydrophobicContact CG-CG1 4.41Å; L822-I826 WeakPolarHBondContact O-CG1 3.31Å; L822-I826 PolarHBondContact O-N 2.68Å |
| 823 | I | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.3 | -63.2 | 162 | 0 | 0 | 0 | 110.7 | Y531 Y811 A814 E819 W820 Y825 I826 S827 | Y531-I823 HydrophobicContact CD1-CG2 3.39Å; Y531-I823 HydrophobicContact CD2-CG2 4.02Å; Y531-I823 HydrophobicContact CE1-CG2 3.97Å; Y531-I823 HydrophobicContact CG-CG2 3.4Å; Y811-I823 HydrophobicContact CD2-CG2 4.2Å; Y811-I823 HydrophobicContact CE2-CG2 3.81Å; A814-I823 HydrophobicContact CB-CG1 3.68Å; A814-I823 WeakPolarHBondContact O-CD1 3.32Å; E819-I823 VanDerWaalsContact O-CG1 3.3Å; E819-I823 WeakPolarHBondContact O-CG1 3.47Å; E819-I823 PolarHBondContact O-N 3.09Å; W820-I823 HydrophobicContact CE3-CD1 3.77Å; W820-I823 HydrophobicContact CZ3-CD1 4.05Å; W820-I823 PolarHBondContact O-N 3.47Å; I823-Y825 VanDerWaalsContact C-N 3.3Å; I823-Y825 PolarHBondContact O-N 3.25Å; I823-I826 PolarHBondContact O-N 3.21Å; I823-S827 VanDerWaalsContact O-CB 3.23Å; I823-S827 WeakPolarHBondContact O-CB 3.38Å; I823-S827 PolarHBondContact O-N 3.28Å; I823-S827 PolarHBondContact O-OG 3.01Å |
| 824 | R | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.5 | -79.1 | 177.5 | -178.9 | 107.7 | 5.1 | 111.6 | Y531 W820 L822 G828 V889 E893 M944 L946 | Y531-R824 HydrophobicContact CE2-CG 4.49Å; Y531-R824 VanDerWaalsContact OH-CG 3.28Å; Y531-R824 WeakPolarHBondContact OH-CG 3.27Å; W820-R824 WeakPolarHBondContact O-CB 3.5Å; W820-R824 WeakPolarHBondContact O-CG 3.21Å; W820-R824 PolarHBondContact O-N 2.77Å; L822-R824 PolarHBondContact O-N 2.82Å; R824-G828 PolarHBondContact O-N 3.26Å; R824-V889 HydrophobicContact CG-CG1 4.38Å; R824-E893 IonicContact CZ-OE1 2.86Å; R824-E893 IonicContact CZ-OE2 3.13Å; R824-E893 IonicContact NE-OE1 3.1Å; R824-E893 PolarHBondContact NE-OE1 3.38Å; R824-E893 IonicContact NE-OE2 2.66Å; R824-E893 IonicContact NH2-OE1 3.42Å; R824-E893 PolarHBondContact NH2-OE1 2.98Å; R824-E893 IonicContact NH2-OE2 2.79Å; R824-E893 PolarHBondContact NH2-OE2 3.44Å; R824-M944 HydrophobicContact CB-CE 3.88Å; R824-M944 HydrophobicContact CG-CE 4.35Å; R824-M944 PolarHBondContact NH1-O 2.82Å; R824-L946 PolarHBondContact NH1-O 3.11Å; R824-L946 PolarHBondContact NH2-O 2.71Å; R824-L946 VanDerWaalsContact NH2-O 3.11Å |
| 825 | Y | 84.2 | Confident | 84.6 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -50.7 | 178.3 | 179.4 | -115.7 | 0 | 0 | 0 | 112.4 | Y781 G821 L822 I823 S827 G828 L829 I885 | Y781-Y825 WeakPolarHBondContact CD2-OH 3.35Å; Y781-Y825 WeakPolarHBondContact CE2-OH 3.49Å; G821-Y825 WeakPolarHBondContact O-CB 3.25Å; G821-Y825 PolarHBondContact O-N 2.95Å; G821-Y825 VanDerWaalsContact O-N 3.09Å; L822-Y825 HydrophobicContact CD1-CD1 4.36Å; L822-Y825 WeakPolarHBondContact O-CB 3.18Å; L822-Y825 PolarHBondContact O-N 2.94Å; I823-Y825 VanDerWaalsContact C-N 3.3Å; I823-Y825 PolarHBondContact O-N 3.25Å; Y825-S827 VanDerWaalsContact C-N 3.32Å; Y825-S827 PolarHBondContact O-N 3.44Å; Y825-G828 WeakPolarHBondContact O-CA 3.43Å; Y825-G828 PolarHBondContact O-N 3.24Å; Y825-G828 VanDerWaalsContact O-N 3.1Å; Y825-L829 HydrophobicContact CD1-CD1 4.32Å; Y825-L829 HydrophobicContact CE1-CD1 3.87Å; Y825-L829 PolarHBondContact O-N 3.31Å; Y825-L829 VanDerWaalsContact O-N 3.09Å; Y825-I885 HydrophobicContact CD2-CD1 4.09Å; Y825-I885 HydrophobicContact CD2-CG1 4.33Å; Y825-I885 HydrophobicContact CE2-CD1 3.87Å; Y825-I885 HydrophobicContact CE2-CG1 4.37Å |
| 826 | I | 86.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 178.3 | -61.2 | 163.8 | 0 | 0 | 0 | 110.9 | L807 L810 A814 L822 I823 G828 L829 L830 | L807-I826 HydrophobicContact CD2-CG2 4.41Å; L807-I826 WeakPolarHBondContact O-CG2 3.25Å; L810-I826 HydrophobicContact CB-CD1 4.28Å; L810-I826 HydrophobicContact CD2-CD1 3.85Å; L810-I826 HydrophobicContact CG-CD1 3.68Å; A814-I826 HydrophobicContact CB-CD1 4.16Å; L822-I826 HydrophobicContact CD1-CD1 4.05Å; L822-I826 HydrophobicContact CD1-CG1 4.24Å; L822-I826 HydrophobicContact CD2-CD1 4.42Å; L822-I826 HydrophobicContact CG-CD1 3.78Å; L822-I826 HydrophobicContact CG-CG1 4.41Å; L822-I826 WeakPolarHBondContact O-CG1 3.31Å; L822-I826 PolarHBondContact O-N 2.68Å; I823-I826 PolarHBondContact O-N 3.21Å; I826-G828 VanDerWaalsContact C-N 3.26Å; I826-G828 PolarHBondContact O-N 3.48Å; I826-L829 PolarHBondContact O-N 3.11Å; I826-L829 VanDerWaalsContact O-N 3.14Å; I826-L830 HydrophobicContact CG2-CD1 3.92Å; I826-L830 HydrophobicContact CG2-CG 4.28Å; I826-L830 WeakPolarHBondContact O-CB 3.05Å; I826-L830 WeakPolarHBondContact O-CG 3.26Å; I826-L830 PolarHBondContact O-N 3.21Å |
| 827 | S | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 174 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | Y531 Y811 I823 Y825 R831 K832 | Y531-S827 WeakPolarHBondContact CE1-OG 3.04Å; Y811-S827 VanDerWaalsContact CE2-OG 3.28Å; Y811-S827 WeakPolarHBondContact CE2-OG 2.97Å; I823-S827 VanDerWaalsContact O-CB 3.23Å; I823-S827 WeakPolarHBondContact O-CB 3.38Å; I823-S827 PolarHBondContact O-N 3.28Å; I823-S827 PolarHBondContact O-OG 3.01Å; Y825-S827 VanDerWaalsContact C-N 3.32Å; Y825-S827 PolarHBondContact O-N 3.44Å; S827-R831 PolarHBondContact O-N 3.48Å; S827-R831 VanDerWaalsContact O-N 3.07Å; S827-K832 PolarHBondContact O-N 3.34Å |
| 828 | G | 85.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R824 Y825 I826 R831 | R824-G828 PolarHBondContact O-N 3.26Å; Y825-G828 WeakPolarHBondContact O-CA 3.43Å; Y825-G828 PolarHBondContact O-N 3.24Å; Y825-G828 VanDerWaalsContact O-N 3.1Å; I826-G828 VanDerWaalsContact C-N 3.26Å; I826-G828 PolarHBondContact O-N 3.48Å; G828-R831 PolarHBondContact O-N 3.48Å |
| 829 | L | 83.4 | Confident | 84.5 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.2 | -44 | 178.1 | -68.2 | 174 | 0 | 0 | 0 | 112.3 | Y781 Y784 L807 Y825 I826 R831 I885 | Y781-L829 HydrophobicContact CD2-CD1 4.16Å; Y781-L829 HydrophobicContact CD2-CD2 3.61Å; Y781-L829 HydrophobicContact CE2-CD2 3.96Å; Y784-L829 HydrophobicContact CD1-CD2 4.41Å; L807-L829 HydrophobicContact CD1-CB 4.5Å; L807-L829 HydrophobicContact CD2-CD1 4.2Å; Y825-L829 HydrophobicContact CD1-CD1 4.32Å; Y825-L829 HydrophobicContact CE1-CD1 3.87Å; Y825-L829 PolarHBondContact O-N 3.31Å; Y825-L829 VanDerWaalsContact O-N 3.09Å; I826-L829 PolarHBondContact O-N 3.11Å; I826-L829 VanDerWaalsContact O-N 3.14Å; L829-R831 PolarHBondContact O-N 3.45Å; L829-I885 HydrophobicContact CB-CD1 4.46Å; L829-I885 HydrophobicContact CD2-CD1 3.28Å; L829-I885 HydrophobicContact CG-CD1 3.57Å |
| 830 | L | 85.5 | Confident | 84.6 | Confident | 31 Ų | 31 | 27 Ų | 27 | 16% | 0.162 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -3.9 | 176.6 | -69.6 | 175.8 | 0 | 0 | 0 | 113.3 | Q804 L807 Y811 I826 K832 | Q804-L830 HydrophobicContact CG-CD2 4.05Å; L807-L830 HydrophobicContact CB-CD1 4.49Å; L807-L830 HydrophobicContact CB-CD2 3.69Å; L807-L830 HydrophobicContact CB-CG 4.16Å; L807-L830 HydrophobicContact CD1-CD2 4.41Å; Y811-L830 HydrophobicContact CG-CD1 4.48Å; I826-L830 HydrophobicContact CG2-CD1 3.92Å; I826-L830 HydrophobicContact CG2-CG 4.28Å; I826-L830 WeakPolarHBondContact O-CB 3.05Å; I826-L830 WeakPolarHBondContact O-CG 3.26Å; I826-L830 PolarHBondContact O-N 3.21Å; L830-K832 HydrophobicContact CB-CG 3.94Å; L830-K832 PolarHBondContact O-N 3.21Å |
| 831 | R | 85.8 | Confident | 84.6 | Confident | 164 Ų | 164 | 26 Ų | 26 | 62% | 0.619 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.5 | -172.9 | -64 | -172.6 | 171 | -151.7 | -2.8 | 113 | S827 G828 L829 K833 Y878 | S827-R831 PolarHBondContact O-N 3.48Å; S827-R831 VanDerWaalsContact O-N 3.07Å; G828-R831 PolarHBondContact O-N 3.48Å; L829-R831 PolarHBondContact O-N 3.45Å; R831-K833 PolarHBondContact O-N 3.04Å; R831-Y878 WeakPolarHBondContact CA-OH 3.29Å; R831-Y878 HydrophobicContact CG-CE1 4.34Å |
| 832 | K | 84.9 | Confident | 84.4 | Confident | 38 Ų | 38 | 25.6 Ų | 25.6 | 17% | 0.165 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 136.4 | 178.9 | -75.8 | -164.6 | 163.3 | -151.3 | 0 | 110.4 | H528 H529 F530 Y811 S827 L830 Q892 | H528-K832 PolarHBondContact O-NZ 3.31Å; H529-K832 PolarHBondContact O-NZ 3.33Å; F530-K832 HydrophobicContact CD2-CB 4.4Å; Y811-K832 HydrophobicContact CD2-CD 4.21Å; Y811-K832 HydrophobicContact CE1-CD 4.44Å; Y811-K832 HydrophobicContact CE2-CD 3.81Å; Y811-K832 VanDerWaalsContact CZ-NZ 3.34Å; S827-K832 PolarHBondContact O-N 3.34Å; L830-K832 HydrophobicContact CB-CG 3.94Å; L830-K832 PolarHBondContact O-N 3.21Å; K832-Q892 PolarHBondContact O-NE2 3.24Å |
| 833 | K | 84.6 | Confident | 84.3 | Confident | 93 Ų | 93 | 25.9 Ų | 25.9 | 40% | 0.404 | 12% | 0.12 | S | C | . | . | P | Polyproline II helix | trans | -103.1 | 140.3 | 174.9 | 65.2 | -178.2 | -179.2 | -178.1 | 0 | 110.1 | R831 T874 | R831-K833 PolarHBondContact O-N 3.04Å; K833-T874 HydrophobicContact CB-CG2 4.41Å |
| 834 | V | 85.2 | Confident | 84.2 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 127 | 164.2 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | F530 L532 V836 L837 Q892 V896 | F530-V834 HydrophobicContact CD1-CG2 3.81Å; F530-V834 HydrophobicContact CD2-CB 4.43Å; F530-V834 HydrophobicContact CD2-CG2 3.78Å; F530-V834 HydrophobicContact CE1-CG2 3.54Å; F530-V834 HydrophobicContact CE2-CG2 3.49Å; F530-V834 VanDerWaalsContact CE2-CG2 3.49Å; F530-V834 HydrophobicContact CG-CB 4.46Å; F530-V834 HydrophobicContact CG-CG2 3.93Å; F530-V834 HydrophobicContact CZ-CG2 3.36Å; L532-V834 HydrophobicContact CD1-CG1 4.29Å; V834-V836 VanDerWaalsContact C-N 3.35Å; V834-V836 HydrophobicContact CG1-CG2 3.94Å; V834-V836 PolarHBondContact O-N 2.87Å; V834-L837 HydrophobicContact CB-CB 4.2Å; V834-L837 WeakPolarHBondContact O-CB 3.45Å; V834-L837 PolarHBondContact O-N 2.94Å; V834-Q892 HydrophobicContact CG2-CB 3.82Å; V834-V896 HydrophobicContact CG1-CG2 3.97Å |
| 835 | E | 75.9 | Confident | 84 | Confident | 25 Ų | 25 | 26.9 Ų | 26.9 | 12% | 0.117 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -46.2 | -174.5 | -62.1 | -163.7 | 139.4 | 0 | 0 | 112.3 | H501 H529 L837 | H501-E835 IonicContact CE1-OE1 3.35Å; H501-E835 PolarHBondContact CE1-OE1 3.26Å; H501-E835 IonicContact CE1-OE2 3.2Å; H501-E835 PolarHBondContact CE1-OE2 3.3Å; H501-E835 IonicContact ND1-OE1 3.21Å; H501-E835 IonicContact ND1-OE2 3.64Å; H501-E835 PolarHBondContact ND1-OE2 2.87Å; H501-E835 IonicContact NE2-OE1 3.5Å; H529-E835 HydrophobicContact CB-CG 3.84Å; H529-E835 WeakPolarHBondContact CB-OE1 3.44Å; H529-E835 IonicContact CD2-OE1 2.71Å; H529-E835 PolarHBondContact CD2-OE1 3.44Å; H529-E835 IonicContact CE1-OE1 3.76Å; H529-E835 PolarHBondContact CE1-OE1 3.19Å; H529-E835 IonicContact CG-OE1 3.08Å; H529-E835 IonicContact ND1-OE1 2.72Å; H529-E835 PolarHBondContact ND1-OE1 3.34Å; H529-E835 VanDerWaalsContact ND1-OE1 3.14Å; H529-E835 IonicContact NE2-OE1 2.68Å; H529-E835 PolarHBondContact NE2-OE1 2.97Å; E835-L837 PolarHBondContact O-N 2.79Å |
| 836 | V | 79.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 25.9 Ų | 25.9 | 36% | 0.358 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 13 | -177.9 | -62 | 0 | 0 | 0 | 0 | 114 | V834 E839 A840 V896 | V834-V836 VanDerWaalsContact C-N 3.35Å; V834-V836 HydrophobicContact CG1-CG2 3.94Å; V834-V836 PolarHBondContact O-N 2.87Å; V836-E839 WeakPolarHBondContact CA-OE2 3.3Å; V836-A840 VanDerWaalsContact O-CB 3.24Å; V836-A840 WeakPolarHBondContact O-CB 3.14Å; V836-A840 PolarHBondContact O-N 2.98Å; V836-V896 HydrophobicContact CG2-CG1 4.41Å; V836-V896 HydrophobicContact CG2-CG2 4.29Å |
| 837 | L | 87.1 | Confident | 83 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | -173.6 | -178.4 | 65.3 | 0 | 0 | 0 | 112.3 | V834 E835 A840 C841 L873 I877 Q892 V895 | V834-L837 HydrophobicContact CB-CB 4.2Å; V834-L837 WeakPolarHBondContact O-CB 3.45Å; V834-L837 PolarHBondContact O-N 2.94Å; E835-L837 PolarHBondContact O-N 2.79Å; L837-A840 PolarHBondContact O-N 3.22Å; L837-C841 PolarHBondContact O-N 3.02Å; L837-L873 HydrophobicContact CD2-CD2 4.1Å; L837-L873 HydrophobicContact CD2-CG 4.21Å; L837-L873 HydrophobicContact CG-CD2 3.82Å; L837-L873 HydrophobicContact CG-CG 4.43Å; L837-I877 HydrophobicContact CD1-CD1 4.49Å; L837-I877 HydrophobicContact CD2-CD1 3.8Å; L837-Q892 HydrophobicContact CD1-CB 4.04Å; L837-Q892 HydrophobicContact CD1-CG 4.19Å; L837-Q892 HydrophobicContact CD2-CB 4.43Å; L837-Q892 HydrophobicContact CD2-CG 3.77Å; L837-V895 HydrophobicContact CD1-CB 4.08Å; L837-V895 HydrophobicContact CD1-CG1 3.81Å |
| 838 | A | 82.3 | Confident | 82.4 | Confident | 10 Ų | 10 | 30 Ų | 30 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.3 | -38.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | T842 P870 L873 | A838-T842 WeakPolarHBondContact O-CB 3.34Å; A838-T842 PolarHBondContact O-N 3.42Å; A838-T842 PolarHBondContact O-OG1 2.93Å; A838-P870 HydrophobicContact CB-CB 4.26Å; A838-P870 HydrophobicContact CB-CG 3.81Å; A838-L873 HydrophobicContact CB-CD2 4.44Å |
| 839 | E | 79.1 | Confident | 82.4 | Confident | 49 Ų | 49 | 31.1 Ų | 31.1 | 23% | 0.229 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 172.1 | -63 | 82.2 | 176.9 | 0 | 0 | 110.4 | V836 C841 T842 D843 | V836-E839 WeakPolarHBondContact CA-OE2 3.3Å; E839-C841 PolarHBondContact O-N 3.11Å; E839-T842 CarbonylContact O-C 3.48Å; E839-T842 WeakPolarHBondContact O-CA 3.23Å; E839-T842 WeakPolarHBondContact O-CB 3.4Å; E839-T842 PolarHBondContact O-N 3.13Å; E839-T842 VanDerWaalsContact O-N 3.08Å; E839-D843 PolarHBondContact O-N 2.88Å |
| 840 | A | 87.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V836 L837 T842 D843 L844 V895 V896 A899 | V836-A840 VanDerWaalsContact O-CB 3.24Å; V836-A840 WeakPolarHBondContact O-CB 3.14Å; V836-A840 PolarHBondContact O-N 2.98Å; L837-A840 PolarHBondContact O-N 3.22Å; A840-T842 VanDerWaalsContact C-N 3.33Å; A840-D843 PolarHBondContact O-N 2.95Å; A840-L844 WeakPolarHBondContact O-CG 3.44Å; A840-L844 PolarHBondContact O-N 3.35Å; A840-L844 VanDerWaalsContact O-N 3.09Å; A840-V895 HydrophobicContact CB-CG1 4.21Å; A840-V896 HydrophobicContact CB-CG2 4.04Å; A840-A899 HydrophobicContact CB-CB 3.55Å; A840-A899 WeakPolarHBondContact O-CB 3.46Å |
| 841 | C | 87.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 172.3 | -84 | 0 | 0 | 0 | 0 | 111.8 | L837 E839 L844 L845 L851 L873 V895 | L837-C841 PolarHBondContact O-N 3.02Å; E839-C841 PolarHBondContact O-N 3.11Å; C841-L844 PolarHBondContact O-N 3.48Å; C841-L845 WeakPolarHBondContact O-CB 3.26Å; C841-L845 WeakPolarHBondContact O-CD1 3.26Å; C841-L845 WeakPolarHBondContact O-CG 3.48Å; C841-L845 PolarHBondContact O-N 3.29Å; C841-L851 HydrophobicContact CB-CD1 4.27Å; C841-L873 HydrophobicContact CB-CD2 4.02Å; C841-V895 VanDerWaalsContact SG-CG1 3.55Å |
| 842 | T | 80.6 | Confident | 83 | Confident | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 176.6 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | Y176 A838 E839 A840 L844 L845 S846 P867 | Y176-T842 HydrophobicContact CD2-CG2 3.35Å; Y176-T842 HydrophobicContact CE2-CG2 3.45Å; Y176-T842 VanDerWaalsContact CE2-CG2 3.45Å; A838-T842 WeakPolarHBondContact O-CB 3.34Å; A838-T842 PolarHBondContact O-N 3.42Å; A838-T842 PolarHBondContact O-OG1 2.93Å; E839-T842 CarbonylContact O-C 3.48Å; E839-T842 WeakPolarHBondContact O-CA 3.23Å; E839-T842 WeakPolarHBondContact O-CB 3.4Å; E839-T842 PolarHBondContact O-N 3.13Å; E839-T842 VanDerWaalsContact O-N 3.08Å; A840-T842 VanDerWaalsContact C-N 3.33Å; T842-L844 VanDerWaalsContact C-N 3.32Å; T842-L844 PolarHBondContact O-N 3.36Å; T842-L845 PolarHBondContact O-N 3.46Å; T842-S846 VanDerWaalsContact O-CB 3.28Å; T842-S846 WeakPolarHBondContact O-CB 3.33Å; T842-S846 PolarHBondContact O-N 3.17Å; T842-P867 HydrophobicContact CG2-CG 4.39Å |
| 843 | D | 80.5 | Confident | 83.2 | Confident | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.064 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 178.1 | -75.5 | -11.4 | 0 | 0 | 0 | 110.6 | H237 E839 A840 S846 H847 A899 R903 | H237-D843 IonicContact CE1-OD1 2.73Å; H237-D843 IonicContact ND1-OD1 3.59Å; E839-D843 PolarHBondContact O-N 2.88Å; A840-D843 PolarHBondContact O-N 2.95Å; D843-S846 WeakPolarHBondContact O-CB 3.06Å; D843-S846 PolarHBondContact O-N 2.82Å; D843-S846 PolarHBondContact O-OG 3.33Å; D843-H847 PolarHBondContact O-CD2 2.71Å; D843-H847 PolarHBondContact O-N 3.04Å; D843-H847 VanDerWaalsContact O-N 3.13Å; D843-A899 HydrophobicContact CB-CB 4.36Å; D843-R903 VanDerWaalsContact OD2-CD 3.31Å; D843-R903 WeakPolarHBondContact OD2-CD 3.3Å; D843-R903 IonicContact OD2-NH1 2.65Å |
| 844 | L | 87.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 177.7 | -71.4 | 165.2 | 0 | 0 | 0 | 112.7 | A840 C841 T842 S846 H847 Q848 K849 L851 V895 L898 A899 V902 L915 | A840-L844 WeakPolarHBondContact O-CG 3.44Å; A840-L844 PolarHBondContact O-N 3.35Å; A840-L844 VanDerWaalsContact O-N 3.09Å; C841-L844 PolarHBondContact O-N 3.48Å; T842-L844 VanDerWaalsContact C-N 3.32Å; T842-L844 PolarHBondContact O-N 3.36Å; L844-S846 VanDerWaalsContact C-N 3.27Å; L844-S846 PolarHBondContact O-N 2.93Å; L844-H847 CarbonylContact O-C 3.58Å; L844-H847 PolarHBondContact O-N 2.71Å; L844-Q848 PolarHBondContact O-N 3.02Å; L844-K849 CarbonylContact C-O 3.49Å; L844-K849 HydrophobicContact CB-CB 4.45Å; L844-K849 WeakPolarHBondContact O-CA 3.48Å; L844-K849 VanDerWaalsContact O-CB 3.23Å; L844-K849 WeakPolarHBondContact O-CB 3.18Å; L844-K849 PolarHBondContact O-N 3.47Å; L844-L851 HydrophobicContact CB-CD1 4.16Å; L844-L851 HydrophobicContact CB-CD2 4.03Å; L844-L851 HydrophobicContact CB-CG 4.42Å; L844-L851 HydrophobicContact CD1-CD1 3.84Å; L844-L851 HydrophobicContact CD1-CD2 3.82Å; L844-L851 HydrophobicContact CD1-CG 4.46Å; L844-L851 HydrophobicContact CG-CD2 4.41Å; L844-V895 HydrophobicContact CD1-CG1 4.14Å; L844-L898 HydrophobicContact CD1-CB 3.95Å; L844-L898 HydrophobicContact CD2-CB 3.89Å; L844-A899 HydrophobicContact CD1-CB 4.31Å; L844-A899 HydrophobicContact CG-CB 4.15Å; L844-V902 HydrophobicContact CD2-CB 4.15Å; L844-V902 HydrophobicContact CD2-CG1 3.91Å; L844-L915 HydrophobicContact CD2-CD1 3.86Å |
| 845 | L | 82.2 | Confident | 82.8 | Confident | 22 Ų | 22 | 19 Ų | 19 | 12% | 0.115 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 177.8 | -69.3 | 166.9 | 0 | 0 | 0 | 111.5 | C841 T842 H847 Q848 K849 I864 P867 | C841-L845 WeakPolarHBondContact O-CB 3.26Å; C841-L845 WeakPolarHBondContact O-CD1 3.26Å; C841-L845 WeakPolarHBondContact O-CG 3.48Å; C841-L845 PolarHBondContact O-N 3.29Å; T842-L845 PolarHBondContact O-N 3.46Å; L845-H847 VanDerWaalsContact C-N 3.28Å; L845-H847 PolarHBondContact O-N 3.15Å; L845-Q848 WeakPolarHBondContact O-CA 3.49Å; L845-Q848 PolarHBondContact O-N 3.32Å; L845-K849 WeakPolarHBondContact CD2-O 3.43Å; L845-I864 HydrophobicContact CD1-CG2 4.24Å; L845-P867 HydrophobicContact CB-CG 4.49Å; L845-P867 HydrophobicContact CD1-CB 4.17Å; L845-P867 HydrophobicContact CD1-CG 3.81Å |
| 846 | S | 72.2 | Confident | 82.4 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 175.2 | 82.9 | 0 | 0 | 0 | 0 | 111.4 | S244 T842 D843 L844 Q848 | S244-S846 VanDerWaalsContact CB-O 3.23Å; S244-S846 WeakPolarHBondContact CB-O 3.41Å; S244-S846 PolarHBondContact OG-O 2.72Å; T842-S846 VanDerWaalsContact O-CB 3.28Å; T842-S846 WeakPolarHBondContact O-CB 3.33Å; T842-S846 PolarHBondContact O-N 3.17Å; D843-S846 WeakPolarHBondContact O-CB 3.06Å; D843-S846 PolarHBondContact O-N 2.82Å; D843-S846 PolarHBondContact O-OG 3.33Å; L844-S846 VanDerWaalsContact C-N 3.27Å; L844-S846 PolarHBondContact O-N 2.93Å; S846-Q848 PolarHBondContact O-N 3.24Å; S846-Q848 VanDerWaalsContact O-N 3.1Å |
| 847 | H | 77.7 | Confident | 81.6 | Confident | 40 Ų | 40 | 21.4 Ų | 21.4 | 19% | 0.185 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 16.7 | 173.8 | -73.5 | -72.8 | 0 | 0 | 0 | 113.4 | D843 L844 L845 K849 V902 | D843-H847 PolarHBondContact O-CD2 2.71Å; D843-H847 PolarHBondContact O-N 3.04Å; D843-H847 VanDerWaalsContact O-N 3.13Å; L844-H847 CarbonylContact O-C 3.58Å; L844-H847 PolarHBondContact O-N 2.71Å; L845-H847 VanDerWaalsContact C-N 3.28Å; L845-H847 PolarHBondContact O-N 3.15Å; H847-K849 VanDerWaalsContact C-N 3.29Å; H847-K849 HydrophobicContact CB-CG 4.26Å; H847-K849 WeakPolarHBondContact O-CE 3.37Å; H847-K849 PolarHBondContact O-N 3.5Å; H847-V902 HydrophobicContact CB-CG2 3.59Å |
| 848 | Q | 76 | Confident | 80.4 | Confident | 48 Ų | 48 | 27.6 Ų | 27.6 | 22% | 0.224 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 36.7 | 179.4 | -65.5 | 147.7 | 33.1 | 0 | 0 | 112.9 | S244 L844 L845 S846 I1118 | S244-Q848 PolarHBondContact O-NE2 3.41Å; L844-Q848 PolarHBondContact O-N 3.02Å; L845-Q848 WeakPolarHBondContact O-CA 3.49Å; L845-Q848 PolarHBondContact O-N 3.32Å; S846-Q848 PolarHBondContact O-N 3.24Å; S846-Q848 VanDerWaalsContact O-N 3.1Å; Q848-I1118 HydrophobicContact CB-CD1 4.28Å; Q848-I1118 HydrophobicContact CG-CD1 3.72Å |
| 849 | K | 85.7 | Confident | 79.6 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 10% | 0.1 | 18% | 0.175 | C | C | . | . | trans | -107.2 | 100.1 | 174.6 | -46.7 | -56.4 | 171.8 | -170.5 | 0 | 108.9 | L844 L845 H847 F909 M912 L913 L915 | L844-K849 CarbonylContact C-O 3.49Å; L844-K849 HydrophobicContact CB-CB 4.45Å; L844-K849 WeakPolarHBondContact O-CA 3.48Å; L844-K849 VanDerWaalsContact O-CB 3.23Å; L844-K849 WeakPolarHBondContact O-CB 3.18Å; L844-K849 PolarHBondContact O-N 3.47Å; L845-K849 WeakPolarHBondContact CD2-O 3.43Å; H847-K849 VanDerWaalsContact C-N 3.29Å; H847-K849 HydrophobicContact CB-CG 4.26Å; H847-K849 WeakPolarHBondContact O-CE 3.37Å; H847-K849 PolarHBondContact O-N 3.5Å; K849-F909 HydrophobicContact CD-CB 4.35Å; K849-F909 PolarHBondContact NZ-O 3.27Å; K849-M912 WeakPolarHBondContact CD-O 3.33Å; K849-M912 WeakPolarHBondContact CE-O 3.47Å; K849-M912 PolarHBondContact NZ-O 3.38Å; K849-L913 CarbonylContact C-O 3.56Å; K849-L913 WeakPolarHBondContact CA-O 3.22Å; K849-L915 HydrophobicContact CB-CD1 3.88Å; K849-L915 HydrophobicContact CB-CG 4.1Å; K849-L915 HydrophobicContact CG-CD1 4.36Å | ||
| 850 | Q | 87.1 | Confident | 79.3 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 16% | 0.164 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 146.5 | 167.4 | -67 | -173.3 | -12 | 0 | 0 | 109.3 | L913 R914 L915 | Q850-L913 PolarHBondContact N-O 3.32Å; Q850-R914 HydrophobicContact CB-CB 4.3Å; Q850-R914 HydrophobicContact CB-CG 4.14Å; Q850-R914 CarbonylContact O-C 3.18Å; Q850-R914 VanDerWaalsContact O-CA 3.25Å; Q850-R914 WeakPolarHBondContact O-CA 3.37Å; Q850-L915 PolarHBondContact O-N 3.46Å |
| 851 | L | 89.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.1 | 179.5 | -52.6 | 175.9 | 0 | 0 | 0 | 109.5 | C841 L844 I864 L915 | C841-L851 HydrophobicContact CB-CD1 4.27Å; L844-L851 HydrophobicContact CB-CD1 4.16Å; L844-L851 HydrophobicContact CB-CD2 4.03Å; L844-L851 HydrophobicContact CB-CG 4.42Å; L844-L851 HydrophobicContact CD1-CD1 3.84Å; L844-L851 HydrophobicContact CD1-CD2 3.82Å; L844-L851 HydrophobicContact CD1-CG 4.46Å; L844-L851 HydrophobicContact CG-CD2 4.41Å; L851-I864 HydrophobicContact CB-CB 4.24Å; L851-I864 HydrophobicContact CB-CD1 4.47Å; L851-I864 PolarHBondContact N-O 3.15Å; L851-I864 PolarHBondContact O-N 3.35Å; L851-L915 WeakPolarHBondContact CA-O 3.47Å; L851-L915 HydrophobicContact CD2-CB 3.86Å; L851-L915 HydrophobicContact CD2-CD1 3.92Å; L851-L915 HydrophobicContact CD2-CG 4.22Å |
| 852 | T | 89.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.2 | 162.6 | 73.9 | 0 | 0 | 0 | 0 | 110.9 | E861 K862 I863 R914 L915 R916 I917 | T852-E861 VanDerWaalsContact CB-OE1 3.29Å; T852-E861 WeakPolarHBondContact CB-OE1 2.94Å; T852-E861 HydrophobicContact CG2-CG 4.31Å; T852-E861 PolarHBondContact OG1-OE1 3.48Å; T852-K862 CarbonylContact C-O 3.58Å; T852-K862 WeakPolarHBondContact CA-O 3.42Å; T852-K862 WeakPolarHBondContact CB-O 3.42Å; T852-I863 HydrophobicContact CG2-CB 4.37Å; T852-I863 HydrophobicContact CG2-CG1 3.88Å; T852-I863 HydrophobicContact CG2-CG2 4.48Å; T852-R914 HydrophobicContact CG2-CG 3.87Å; T852-L915 PolarHBondContact N-O 3.25Å; T852-R916 HydrophobicContact CG2-CG 4.49Å; T852-R916 VanDerWaalsContact OG1-CA 3.26Å; T852-R916 WeakPolarHBondContact OG1-CA 3.27Å; T852-R916 WeakPolarHBondContact OG1-CB 3.27Å; T852-R916 WeakPolarHBondContact OG1-CG 3.43Å; T852-I917 VanDerWaalsContact O-CB 3.31Å; T852-I917 WeakPolarHBondContact O-CB 3.49Å; T852-I917 VanDerWaalsContact O-CG1 3.25Å; T852-I917 WeakPolarHBondContact O-CG1 3.31Å; T852-I917 PolarHBondContact O-N 3.37Å |
| 853 | V | 90.2 | Very high | 79.5 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.6 | 178 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | E861 K862 I864 L876 I877 A880 T891 I917 | V853-E861 CarbonylContact O-C 3.56Å; V853-E861 WeakPolarHBondContact O-CA 3.47Å; V853-K862 HydrophobicContact CG2-CB 4.1Å; V853-K862 PolarHBondContact N-O 2.84Å; V853-K862 PolarHBondContact O-N 2.96Å; V853-I864 HydrophobicContact CG1-CD1 4.06Å; V853-I864 HydrophobicContact CG2-CD1 4.33Å; V853-L876 HydrophobicContact CG2-CD2 3.24Å; V853-I877 HydrophobicContact CG1-CG1 4.22Å; V853-I877 HydrophobicContact CG2-CG1 4.39Å; V853-A880 HydrophobicContact CB-CB 4.34Å; V853-A880 HydrophobicContact CG2-CB 3.73Å; V853-T891 HydrophobicContact CB-CG2 4.06Å; V853-T891 HydrophobicContact CG1-CG2 3.64Å; V853-I917 HydrophobicContact CG1-CG1 4.37Å |
| 854 | G | 83.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 83.4 | 172.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.2 | G918 | G854-G918 WeakPolarHBondContact O-CA 3.49Š|
| 855 | L | 77.1 | Confident | 79.4 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | trans | -97.1 | 142.1 | 178.8 | -72.7 | 168.3 | 0 | 0 | 0 | 110.8 | R860 E861 G918 Q922 | L855-R860 VanDerWaalsContact O-CB 3.29Å; L855-R860 WeakPolarHBondContact O-CB 3.38Å; L855-E861 PolarHBondContact O-N 3.31Å; L855-G918 WeakPolarHBondContact CD2-O 3.5Å; L855-Q922 HydrophobicContact CD2-CB 4.46Å | ||
| 856 | P | 67.1 | Low | 78.9 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.2 | 161.2 | 176.1 | 26.9 | -32.9 | 0 | 0 | 0 | 113.3 | L919 | P856-L919 HydrophobicContact CG-CD1 4.29Å; P856-L919 HydrophobicContact CG-CD2 3.65Å; P856-L919 HydrophobicContact CG-CG 4.05Å |
| 857 | P | 63.8 | Low | 78.9 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | S | Bend | cis | -84.2 | 175 | -4.1 | 33.8 | -34.7 | 0 | 0 | 0 | 113.7 | R860 | P857-R860 PolarHBondContact O-N 3.28Š|
| 858 | E | 60.7 | Low | 78.8 | Confident | 134 Ų | 134 | 49.5 Ų | 49.5 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 142.3 | 168.4 | -68.2 | -176.2 | 177 | 0 | 0 | 110.6 | ||
| 859 | P | 65.8 | Low | 78.7 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 64% | 0.643 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.5 | 4.5 | 15.2 | 36.8 | -37.2 | 0 | 0 | 0 | 115.6 | K862 | P859-K862 VanDerWaalsContact O-CE 3.23Å; P859-K862 WeakPolarHBondContact O-CE 3.38Å; P859-K862 PolarHBondContact O-NZ 3.14Å |
| 860 | R | 73.8 | Confident | 78.3 | Confident | 155 Ų | 155 | 51.4 Ų | 51.4 | 59% | 0.585 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -38.8 | -179 | -67.9 | 180 | 75.1 | -170.9 | 3 | 112.1 | L855 P857 | L855-R860 VanDerWaalsContact O-CB 3.29Å; L855-R860 WeakPolarHBondContact O-CB 3.38Å; P857-R860 PolarHBondContact O-N 3.28Å |
| 861 | E | 84.8 | Confident | 77.8 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -76.8 | 132.3 | 169.2 | -175.1 | 176.1 | -151.6 | 0 | 0 | 110.4 | T852 V853 L855 R916 | T852-E861 VanDerWaalsContact CB-OE1 3.29Å; T852-E861 WeakPolarHBondContact CB-OE1 2.94Å; T852-E861 HydrophobicContact CG2-CG 4.31Å; T852-E861 PolarHBondContact OG1-OE1 3.48Å; V853-E861 CarbonylContact O-C 3.56Å; V853-E861 WeakPolarHBondContact O-CA 3.47Å; L855-E861 PolarHBondContact O-N 3.31Å; E861-R916 VanDerWaalsContact CD-NH2 3.33Å; E861-R916 IonicContact OE1-CZ 2.93Å; E861-R916 IonicContact OE1-NE 2.81Å; E861-R916 PolarHBondContact OE1-NE 3.07Å; E861-R916 IonicContact OE1-NH2 3.87Å; E861-R916 PolarHBondContact OE1-NH2 2.94Å; E861-R916 IonicContact OE2-CZ 3.44Å; E861-R916 IonicContact OE2-NE 3.88Å; E861-R916 IonicContact OE2-NH2 3.91Å; E861-R916 PolarHBondContact OE2-NH2 2.96Å |
| 862 | K | 86.9 | Confident | 77.5 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.3 | 176.2 | -60.4 | -60.3 | -172.7 | -168 | 0 | 110 | T852 V853 P859 L876 A880 | T852-K862 CarbonylContact C-O 3.58Å; T852-K862 WeakPolarHBondContact CA-O 3.42Å; T852-K862 WeakPolarHBondContact CB-O 3.42Å; V853-K862 HydrophobicContact CG2-CB 4.1Å; V853-K862 PolarHBondContact N-O 2.84Å; V853-K862 PolarHBondContact O-N 2.96Å; P859-K862 VanDerWaalsContact O-CE 3.23Å; P859-K862 WeakPolarHBondContact O-CE 3.38Å; P859-K862 PolarHBondContact O-NZ 3.14Å; K862-L876 HydrophobicContact CB-CD2 3.74Å; K862-L876 HydrophobicContact CB-CG 4.25Å; K862-L876 HydrophobicContact CG-CD2 4.35Å; K862-A880 HydrophobicContact CB-CB 4.33Å; K862-A880 HydrophobicContact CG-CB 3.83Å |
| 863 | I | 86.7 | Confident | 77.5 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.2 | -179.8 | -56.1 | 167.1 | 0 | 0 | 0 | 109.6 | T852 | T852-I863 HydrophobicContact CG2-CB 4.37Å; T852-I863 HydrophobicContact CG2-CG1 3.88Å; T852-I863 HydrophobicContact CG2-CG2 4.48Å |
| 864 | I | 87.6 | Confident | 77.3 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 104.4 | 170.3 | -54.4 | 166.2 | 0 | 0 | 0 | 106.5 | L845 L851 V853 A866 L868 L873 L876 | L845-I864 HydrophobicContact CD1-CG2 4.24Å; L851-I864 HydrophobicContact CB-CB 4.24Å; L851-I864 HydrophobicContact CB-CD1 4.47Å; L851-I864 PolarHBondContact N-O 3.15Å; L851-I864 PolarHBondContact O-N 3.35Å; V853-I864 HydrophobicContact CG1-CD1 4.06Å; V853-I864 HydrophobicContact CG2-CD1 4.33Å; I864-A866 WeakPolarHBondContact CG2-O 3.19Å; I864-L868 HydrophobicContact CG1-CD1 4.46Å; I864-L868 HydrophobicContact CG2-CD1 4.21Å; I864-L868 HydrophobicContact CG2-CG 4.4Å; I864-L873 HydrophobicContact CD1-CD1 3.64Å; I864-L876 HydrophobicContact CD1-CD2 4.14Å; I864-L876 HydrophobicContact CG1-CD1 4.49Å; I864-L876 HydrophobicContact CG1-CD2 4.08Å |
| 865 | S | 78.1 | Confident | 77.5 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | trans | -107.2 | -11 | -177.5 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 866 | A | 72.4 | Confident | 78.1 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -141.7 | 154.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I864 L868 | I864-A866 WeakPolarHBondContact CG2-O 3.19Å; A866-L868 PolarHBondContact O-N 3.4Å |
| 867 | P | 71.4 | Confident | 79.3 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | trans | -65.7 | 134.9 | 179.6 | -17.7 | 31.7 | 0 | 0 | 0 | 109.8 | K177 T842 L845 | K177-P867 HydrophobicContact CB-CB 3.57Å; K177-P867 HydrophobicContact CB-CG 3.49Å; K177-P867 VanDerWaalsContact CB-CG 3.49Å; K177-P867 HydrophobicContact CD-CB 4.29Å; T842-P867 HydrophobicContact CG2-CG 4.39Å; L845-P867 HydrophobicContact CB-CG 4.49Å; L845-P867 HydrophobicContact CD1-CB 4.17Å; L845-P867 HydrophobicContact CD1-CG 3.81Å | ||
| 868 | L | 76.4 | Confident | 80.4 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | trans | -107.2 | 152.1 | -176.8 | -64.6 | 175 | 0 | 0 | 0 | 110.3 | I864 A866 L873 L876 | I864-L868 HydrophobicContact CG1-CD1 4.46Å; I864-L868 HydrophobicContact CG2-CD1 4.21Å; I864-L868 HydrophobicContact CG2-CG 4.4Å; A866-L868 PolarHBondContact O-N 3.4Å; L868-L873 HydrophobicContact CB-CB 4.12Å; L868-L873 HydrophobicContact CD1-CD1 4.44Å; L868-L876 HydrophobicContact CD1-CD1 3.85Å | ||
| 869 | P | 73.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | trans | -52.8 | 144.5 | 166.9 | -24.5 | 34 | 0 | 0 | 0 | 111.2 | E871 E872 L873 | P869-E871 PolarHBondContact O-N 3.4Å; P869-E871 VanDerWaalsContact O-N 3.12Å; P869-E872 HydrophobicContact CB-CB 4.44Å; P869-E872 HydrophobicContact CB-CG 4.29Å; P869-E872 WeakPolarHBondContact CD-OE2 3.46Å; P869-E872 HydrophobicContact CG-CG 4.32Å; P869-E872 PolarHBondContact O-N 3.1Å; P869-E872 VanDerWaalsContact O-N 3.13Å; P869-L873 WeakPolarHBondContact O-CB 3.37Å; P869-L873 PolarHBondContact O-N 3.23Å | ||
| 870 | P | 76.9 | Confident | 82.6 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.8 | -37.1 | -175.4 | -26.5 | 32 | 0 | 0 | 0 | 114.5 | A838 T874 | A838-P870 HydrophobicContact CB-CB 4.26Å; A838-P870 HydrophobicContact CB-CG 3.81Å; P870-T874 WeakPolarHBondContact O-CB 3.4Å; P870-T874 PolarHBondContact O-N 3.1Å; P870-T874 PolarHBondContact O-OG1 3.13Å |
| 871 | E | 78.1 | Confident | 82.9 | Confident | 152 Ų | 152 | 51.3 Ų | 51.3 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70 | -45.5 | 179.9 | -65.2 | 177.5 | -177.2 | 0 | 0 | 112.1 | P869 T874 K875 | P869-E871 PolarHBondContact O-N 3.4Å; P869-E871 VanDerWaalsContact O-N 3.12Å; E871-T874 PolarHBondContact O-N 3.1Å; E871-K875 WeakPolarHBondContact O-CB 3.28Å; E871-K875 PolarHBondContact O-N 3.34Å |
| 872 | E | 84.1 | Confident | 82.3 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.8 | -66.4 | -172.3 | 178.9 | 0 | 0 | 111.2 | P869 K875 L876 | P869-E872 HydrophobicContact CB-CB 4.44Å; P869-E872 HydrophobicContact CB-CG 4.29Å; P869-E872 WeakPolarHBondContact CD-OE2 3.46Å; P869-E872 HydrophobicContact CG-CG 4.32Å; P869-E872 PolarHBondContact O-N 3.1Å; P869-E872 VanDerWaalsContact O-N 3.13Å; E872-K875 PolarHBondContact O-N 2.92Å; E872-L876 VanDerWaalsContact O-CB 3.26Å; E872-L876 WeakPolarHBondContact O-CB 3.36Å; E872-L876 PolarHBondContact O-N 3.02Å |
| 873 | L | 87.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.7 | -179.8 | 57.9 | 0 | 0 | 0 | 111.6 | L837 A838 C841 I864 L868 P869 L876 I877 | L837-L873 HydrophobicContact CD2-CD2 4.1Å; L837-L873 HydrophobicContact CD2-CG 4.21Å; L837-L873 HydrophobicContact CG-CD2 3.82Å; L837-L873 HydrophobicContact CG-CG 4.43Å; A838-L873 HydrophobicContact CB-CD2 4.44Å; C841-L873 HydrophobicContact CB-CD2 4.02Å; I864-L873 HydrophobicContact CD1-CD1 3.64Å; L868-L873 HydrophobicContact CB-CB 4.12Å; L868-L873 HydrophobicContact CD1-CD1 4.44Å; P869-L873 WeakPolarHBondContact O-CB 3.37Å; P869-L873 PolarHBondContact O-N 3.23Å; L873-L876 PolarHBondContact O-N 3.38Å; L873-I877 HydrophobicContact CD1-CD1 4.15Å; L873-I877 HydrophobicContact CG-CD1 4.17Å; L873-I877 WeakPolarHBondContact O-CG1 3.47Å; L873-I877 PolarHBondContact O-N 3.3Å |
| 874 | T | 86.9 | Confident | 80.4 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 110.2 | K833 P870 E871 L876 I877 Y878 | K833-T874 HydrophobicContact CB-CG2 4.41Å; P870-T874 WeakPolarHBondContact O-CB 3.4Å; P870-T874 PolarHBondContact O-N 3.1Å; P870-T874 PolarHBondContact O-OG1 3.13Å; E871-T874 PolarHBondContact O-N 3.1Å; T874-L876 VanDerWaalsContact C-N 3.32Å; T874-L876 PolarHBondContact O-N 3.48Å; T874-I877 PolarHBondContact O-N 2.9Å; T874-Y878 HydrophobicContact CG2-CD2 3.79Å; T874-Y878 HydrophobicContact CG2-CE2 3.74Å; T874-Y878 VanDerWaalsContact O-CD2 3.31Å; T874-Y878 WeakPolarHBondContact O-CD2 3.45Å; T874-Y878 PolarHBondContact O-N 3.28Å |
| 875 | K | 88.3 | Confident | 79.9 | Confident | 131 Ų | 131 | 57.2 Ų | 57.2 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -56.3 | -46.3 | 177.4 | -179.5 | 177.5 | 172.2 | -177.2 | 0 | 111.6 | E871 E872 I877 Y878 E879 | E871-K875 WeakPolarHBondContact O-CB 3.28Å; E871-K875 PolarHBondContact O-N 3.34Å; E872-K875 PolarHBondContact O-N 2.92Å; K875-I877 PolarHBondContact O-N 2.82Å; K875-Y878 PolarHBondContact O-N 3.12Å; K875-E879 WeakPolarHBondContact CE-OE1 3.29Å; K875-E879 HydrophobicContact CG-CG 4.44Å; K875-E879 WeakPolarHBondContact CG-OE1 3.44Å; K875-E879 WeakPolarHBondContact O-CB 3.32Å; K875-E879 VanDerWaalsContact O-CG 3.31Å; K875-E879 WeakPolarHBondContact O-CG 3.45Å; K875-E879 PolarHBondContact O-N 3.09Å |
| 876 | L | 90.1 | Very high | 80.1 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.9 | -174.2 | 156.9 | 0 | 0 | 0 | 112 | V853 K862 I864 L868 E872 L873 T874 E879 A880 | V853-L876 HydrophobicContact CG2-CD2 3.24Å; K862-L876 HydrophobicContact CB-CD2 3.74Å; K862-L876 HydrophobicContact CB-CG 4.25Å; K862-L876 HydrophobicContact CG-CD2 4.35Å; I864-L876 HydrophobicContact CD1-CD2 4.14Å; I864-L876 HydrophobicContact CG1-CD1 4.49Å; I864-L876 HydrophobicContact CG1-CD2 4.08Å; L868-L876 HydrophobicContact CD1-CD1 3.85Å; E872-L876 VanDerWaalsContact O-CB 3.26Å; E872-L876 WeakPolarHBondContact O-CB 3.36Å; E872-L876 PolarHBondContact O-N 3.02Å; L873-L876 PolarHBondContact O-N 3.38Å; T874-L876 VanDerWaalsContact C-N 3.32Å; T874-L876 PolarHBondContact O-N 3.48Å; L876-E879 PolarHBondContact O-N 2.88Å; L876-A880 WeakPolarHBondContact O-CB 3.44Å; L876-A880 PolarHBondContact O-N 3.22Å |
| 877 | I | 90.3 | Very high | 80.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 177.2 | -69.5 | 166.4 | 0 | 0 | 0 | 111.5 | L837 V853 L873 T874 K875 A880 S881 A888 T891 Q892 | L837-I877 HydrophobicContact CD1-CD1 4.49Å; L837-I877 HydrophobicContact CD2-CD1 3.8Å; V853-I877 HydrophobicContact CG1-CG1 4.22Å; V853-I877 HydrophobicContact CG2-CG1 4.39Å; L873-I877 HydrophobicContact CD1-CD1 4.15Å; L873-I877 HydrophobicContact CG-CD1 4.17Å; L873-I877 WeakPolarHBondContact O-CG1 3.47Å; L873-I877 PolarHBondContact O-N 3.3Å; T874-I877 PolarHBondContact O-N 2.9Å; K875-I877 PolarHBondContact O-N 2.82Å; I877-A880 PolarHBondContact O-N 2.88Å; I877-S881 WeakPolarHBondContact O-CB 3.46Å; I877-S881 PolarHBondContact O-N 2.9Å; I877-S881 PolarHBondContact O-OG 3.41Å; I877-A888 HydrophobicContact CG2-CB 4.09Å; I877-A888 WeakPolarHBondContact CG2-O 3.31Å; I877-T891 HydrophobicContact CG2-CG2 3.98Å; I877-Q892 HydrophobicContact CD1-CG 4.04Å; I877-Q892 HydrophobicContact CG2-CG 4.36Å |
| 878 | Y | 87.2 | Confident | 81.4 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 177.1 | -83.4 | -82.8 | 0 | 0 | 0 | 111.9 | R831 T874 K875 S881 G882 A888 | R831-Y878 WeakPolarHBondContact CA-OH 3.29Å; R831-Y878 HydrophobicContact CG-CE1 4.34Å; T874-Y878 HydrophobicContact CG2-CD2 3.79Å; T874-Y878 HydrophobicContact CG2-CE2 3.74Å; T874-Y878 VanDerWaalsContact O-CD2 3.31Å; T874-Y878 WeakPolarHBondContact O-CD2 3.45Å; T874-Y878 PolarHBondContact O-N 3.28Å; K875-Y878 PolarHBondContact O-N 3.12Å; Y878-S881 PolarHBondContact O-N 2.83Å; Y878-G882 PolarHBondContact O-N 2.89Å; Y878-A888 HydrophobicContact CD1-CB 3.63Å; Y878-A888 HydrophobicContact CD2-CB 4.46Å; Y878-A888 HydrophobicContact CE1-CB 3.67Å; Y878-A888 HydrophobicContact CE2-CB 4.48Å; Y878-A888 HydrophobicContact CG-CB 4.04Å |
| 879 | E | 87 | Confident | 82.1 | Confident | 115 Ų | 115 | 50 Ų | 50 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.1 | -75 | 175.8 | -176.1 | 0 | 0 | 112.3 | K875 L876 S881 G882 | K875-E879 WeakPolarHBondContact CE-OE1 3.29Å; K875-E879 HydrophobicContact CG-CG 4.44Å; K875-E879 WeakPolarHBondContact CG-OE1 3.44Å; K875-E879 WeakPolarHBondContact O-CB 3.32Å; K875-E879 VanDerWaalsContact O-CG 3.31Å; K875-E879 WeakPolarHBondContact O-CG 3.45Å; K875-E879 PolarHBondContact O-N 3.09Å; L876-E879 PolarHBondContact O-N 2.88Å; E879-S881 VanDerWaalsContact C-N 3.31Å; E879-S881 PolarHBondContact O-N 3.09Å; E879-G882 PolarHBondContact O-N 3.48Å |
| 880 | A | 86 | Confident | 82.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -29.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V853 K862 L876 I877 G882 | V853-A880 HydrophobicContact CB-CB 4.34Å; V853-A880 HydrophobicContact CG2-CB 3.73Å; K862-A880 HydrophobicContact CB-CB 4.33Å; K862-A880 HydrophobicContact CG-CB 3.83Å; L876-A880 WeakPolarHBondContact O-CB 3.44Å; L876-A880 PolarHBondContact O-N 3.22Å; I877-A880 PolarHBondContact O-N 2.88Å; A880-G882 PolarHBondContact O-N 2.98Å |
| 881 | S | 80.8 | Confident | 83.7 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -77.2 | -11.5 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | I877 Y878 E879 Q883 D884 A888 | I877-S881 WeakPolarHBondContact O-CB 3.46Å; I877-S881 PolarHBondContact O-N 2.9Å; I877-S881 PolarHBondContact O-OG 3.41Å; Y878-S881 PolarHBondContact O-N 2.83Å; E879-S881 VanDerWaalsContact C-N 3.31Å; E879-S881 PolarHBondContact O-N 3.09Å; S881-Q883 PolarHBondContact O-N 3.05Å; S881-D884 PolarHBondContact O-N 3.48Å; S881-A888 VanDerWaalsContact OG-CA 3.29Å; S881-A888 WeakPolarHBondContact OG-CA 3.3Å; S881-A888 WeakPolarHBondContact OG-CB 3.49Å; S881-A888 PolarHBondContact OG-N 2.87Å |
| 882 | G | 72.7 | Confident | 84.4 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 56% | 0.557 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | -118.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y878 E879 A880 | Y878-G882 PolarHBondContact O-N 2.89Å; E879-G882 PolarHBondContact O-N 3.48Å; A880-G882 PolarHBondContact O-N 2.98Å |
| 883 | Q | 63.9 | Low | 84.8 | Confident | 117 Ų | 117 | 32.2 Ų | 32.2 | 55% | 0.547 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -13.5 | -175.8 | -67.3 | 175.6 | -21.5 | 0 | 0 | 113.5 | H726 S881 I885 | H726-Q883 VanDerWaalsContact CD2-CD 3.41Å; H726-Q883 PolarHBondContact CD2-NE2 3.28Å; H726-Q883 VanDerWaalsContact CD2-NE2 3.3Å; H726-Q883 PolarHBondContact CD2-OE1 3.4Å; H726-Q883 PolarHBondContact CE1-NE2 2.67Å; H726-Q883 VanDerWaalsContact CE1-NE2 3.31Å; H726-Q883 PolarHBondContact CE1-OE1 3.11Å; H726-Q883 PolarHBondContact ND1-OE1 3.41Å; H726-Q883 VanDerWaalsContact NE2-CD 3.29Å; H726-Q883 PolarHBondContact NE2-NE2 3.04Å; H726-Q883 PolarHBondContact NE2-OE1 3.34Å; H726-Q883 VanDerWaalsContact NE2-OE1 3.08Å; S881-Q883 PolarHBondContact O-N 3.05Å; Q883-I885 PolarHBondContact O-N 3.36Å; Q883-I885 VanDerWaalsContact O-N 3.09Å |
| 884 | D | 68.4 | Low | 85.1 | Confident | 68 Ų | 68 | 32.2 Ų | 32.2 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | trans | -87.2 | 80.5 | -178.5 | -66.2 | -45.2 | 0 | 0 | 0 | 110 | S881 S886 I887 A888 | S881-D884 PolarHBondContact O-N 3.48Å; D884-S886 PolarHBondContact O-N 2.71Å; D884-S886 VanDerWaalsContact O-N 3.14Å; D884-I887 HydrophobicContact CB-CB 4.2Å; D884-I887 HydrophobicContact CB-CD1 3.67Å; D884-I887 HydrophobicContact CB-CG1 3.87Å; D884-I887 WeakPolarHBondContact O-CB 3.21Å; D884-I887 PolarHBondContact O-N 2.93Å; D884-A888 PolarHBondContact O-N 3.21Å | ||
| 885 | I | 77.9 | Confident | 85.5 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.205 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -29.1 | -177.8 | 59.2 | 178.3 | 0 | 0 | 0 | 113.6 | Y825 L829 Q883 A888 | Y825-I885 HydrophobicContact CD2-CD1 4.09Å; Y825-I885 HydrophobicContact CD2-CG1 4.33Å; Y825-I885 HydrophobicContact CE2-CD1 3.87Å; Y825-I885 HydrophobicContact CE2-CG1 4.37Å; L829-I885 HydrophobicContact CB-CD1 4.46Å; L829-I885 HydrophobicContact CD2-CD1 3.28Å; L829-I885 HydrophobicContact CG-CD1 3.57Å; Q883-I885 PolarHBondContact O-N 3.36Å; Q883-I885 VanDerWaalsContact O-N 3.09Å; I885-A888 WeakPolarHBondContact O-CB 3.41Å; I885-A888 PolarHBondContact O-N 3.21Å |
| 886 | S | 81.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -74.2 | -28.6 | 178.5 | -43.5 | 0 | 0 | 0 | 0 | 112.5 | D884 A888 V889 L890 | D884-S886 PolarHBondContact O-N 2.71Å; D884-S886 VanDerWaalsContact O-N 3.14Å; S886-A888 VanDerWaalsContact C-N 3.3Å; S886-V889 PolarHBondContact O-N 2.95Å; S886-L890 PolarHBondContact O-N 2.78Å |
| 887 | I | 84.1 | Confident | 85.8 | Confident | 27 Ų | 27 | 23.8 Ų | 23.8 | 14% | 0.138 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.3 | -33.5 | 173.5 | -64.8 | -179.7 | 0 | 0 | 0 | 110.2 | L730 D884 V889 L890 T891 | L730-I887 HydrophobicContact CD2-CD1 3.71Å; L730-I887 HydrophobicContact CD2-CG1 4.19Å; D884-I887 HydrophobicContact CB-CB 4.2Å; D884-I887 HydrophobicContact CB-CD1 3.67Å; D884-I887 HydrophobicContact CB-CG1 3.87Å; D884-I887 WeakPolarHBondContact O-CB 3.21Å; D884-I887 PolarHBondContact O-N 2.93Å; I887-V889 VanDerWaalsContact C-N 3.31Å; I887-V889 PolarHBondContact O-N 3.27Å; I887-L890 PolarHBondContact O-N 2.93Å; I887-T891 VanDerWaalsContact O-CB 3.31Å; I887-T891 WeakPolarHBondContact O-CB 3.45Å; I887-T891 PolarHBondContact O-N 2.73Å; I887-T891 PolarHBondContact O-OG1 3.31Å |
| 888 | A | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I877 Y878 S881 D884 I885 S886 T891 Q892 | I877-A888 HydrophobicContact CG2-CB 4.09Å; I877-A888 WeakPolarHBondContact CG2-O 3.31Å; Y878-A888 HydrophobicContact CD1-CB 3.63Å; Y878-A888 HydrophobicContact CD2-CB 4.46Å; Y878-A888 HydrophobicContact CE1-CB 3.67Å; Y878-A888 HydrophobicContact CE2-CB 4.48Å; Y878-A888 HydrophobicContact CG-CB 4.04Å; S881-A888 VanDerWaalsContact OG-CA 3.29Å; S881-A888 WeakPolarHBondContact OG-CA 3.3Å; S881-A888 WeakPolarHBondContact OG-CB 3.49Å; S881-A888 PolarHBondContact OG-N 2.87Å; D884-A888 PolarHBondContact O-N 3.21Å; I885-A888 WeakPolarHBondContact O-CB 3.41Å; I885-A888 PolarHBondContact O-N 3.21Å; S886-A888 VanDerWaalsContact C-N 3.3Å; A888-T891 PolarHBondContact O-N 2.83Å; A888-Q892 WeakPolarHBondContact O-CG 3.29Å; A888-Q892 PolarHBondContact O-N 3.1Å; A888-Q892 VanDerWaalsContact O-N 3.16Å |
| 889 | V | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.4 | -45.5 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 111 | F530 Y531 R824 S886 I887 T891 Q892 E893 | F530-V889 HydrophobicContact CE2-CG1 4.31Å; F530-V889 HydrophobicContact CZ-CG1 3.84Å; Y531-V889 HydrophobicContact CE1-CG1 3.95Å; Y531-V889 WeakPolarHBondContact OH-CG1 3.45Å; R824-V889 HydrophobicContact CG-CG1 4.38Å; S886-V889 PolarHBondContact O-N 2.95Å; I887-V889 VanDerWaalsContact C-N 3.31Å; I887-V889 PolarHBondContact O-N 3.27Å; V889-T891 VanDerWaalsContact C-N 3.28Å; V889-T891 PolarHBondContact O-N 2.84Å; V889-Q892 WeakPolarHBondContact O-CB 3.45Å; V889-Q892 PolarHBondContact O-N 3.38Å; V889-Q892 VanDerWaalsContact O-N 3.13Å; V889-E893 PolarHBondContact O-N 2.85Å |
| 890 | L | 90.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59 | -39.8 | 174.7 | 177.2 | 57.9 | 0 | 0 | 0 | 112.1 | S886 I887 Q892 E893 I894 I921 L943 M944 M951 | S886-L890 PolarHBondContact O-N 2.78Å; I887-L890 PolarHBondContact O-N 2.93Å; L890-Q892 VanDerWaalsContact C-N 3.31Å; L890-Q892 PolarHBondContact O-N 3.27Å; L890-E893 WeakPolarHBondContact O-CB 3.45Å; L890-E893 PolarHBondContact O-N 2.88Å; L890-I894 HydrophobicContact CD1-CD1 4.3Å; L890-I894 HydrophobicContact CD1-CG1 4.05Å; L890-I894 HydrophobicContact CG-CG1 4.38Å; L890-I894 WeakPolarHBondContact O-CG1 3.42Å; L890-I894 PolarHBondContact O-N 3.01Å; L890-I921 HydrophobicContact CD2-CD1 4.15Å; L890-I921 HydrophobicContact CD2-CG1 4.25Å; L890-I921 HydrophobicContact CD2-CG2 3.85Å; L890-I921 HydrophobicContact CG-CD1 4.01Å; L890-I921 HydrophobicContact CG-CG1 4.34Å; L890-L943 HydrophobicContact CD2-CD2 4.33Å; L890-M944 HydrophobicContact CD2-SD 4Å; L890-M951 HydrophobicContact CD1-CE 3.68Å; L890-M951 HydrophobicContact CD1-CG 4.47Å; L890-M951 HydrophobicContact CD1-SD 3.07Å; L890-M951 WeakPolarHBondContact CD1-SD 3.19Å |
| 891 | T | 92.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.4 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | V853 I877 I887 A888 V889 I894 V895 I917 | V853-T891 HydrophobicContact CB-CG2 4.06Å; V853-T891 HydrophobicContact CG1-CG2 3.64Å; I877-T891 HydrophobicContact CG2-CG2 3.98Å; I887-T891 VanDerWaalsContact O-CB 3.31Å; I887-T891 WeakPolarHBondContact O-CB 3.45Å; I887-T891 PolarHBondContact O-N 2.73Å; I887-T891 PolarHBondContact O-OG1 3.31Å; A888-T891 PolarHBondContact O-N 2.83Å; V889-T891 VanDerWaalsContact C-N 3.28Å; V889-T891 PolarHBondContact O-N 2.84Å; T891-I894 PolarHBondContact O-N 3.25Å; T891-V895 VanDerWaalsContact O-CG2 3.28Å; T891-V895 WeakPolarHBondContact O-CG2 3.2Å; T891-V895 PolarHBondContact O-N 3.17Å; T891-V895 VanDerWaalsContact O-N 3.08Å; T891-I917 HydrophobicContact CG2-CB 4.44Å; T891-I917 HydrophobicContact CG2-CG2 3.88Å |
| 892 | Q | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 174.7 | -65 | 180 | 60.5 | 0 | 0 | 111.8 | K832 V834 L837 I877 A888 V889 L890 V895 V896 | K832-Q892 PolarHBondContact O-NE2 3.24Å; V834-Q892 HydrophobicContact CG2-CB 3.82Å; L837-Q892 HydrophobicContact CD1-CB 4.04Å; L837-Q892 HydrophobicContact CD1-CG 4.19Å; L837-Q892 HydrophobicContact CD2-CB 4.43Å; L837-Q892 HydrophobicContact CD2-CG 3.77Å; I877-Q892 HydrophobicContact CD1-CG 4.04Å; I877-Q892 HydrophobicContact CG2-CG 4.36Å; A888-Q892 WeakPolarHBondContact O-CG 3.29Å; A888-Q892 PolarHBondContact O-N 3.1Å; A888-Q892 VanDerWaalsContact O-N 3.16Å; V889-Q892 WeakPolarHBondContact O-CB 3.45Å; V889-Q892 PolarHBondContact O-N 3.38Å; V889-Q892 VanDerWaalsContact O-N 3.13Å; L890-Q892 VanDerWaalsContact C-N 3.31Å; L890-Q892 PolarHBondContact O-N 3.27Å; Q892-V895 PolarHBondContact O-N 3.39Å; Q892-V896 WeakPolarHBondContact O-CG2 3.24Å; Q892-V896 PolarHBondContact O-N 3.07Å; Q892-V896 VanDerWaalsContact O-N 3.17Å |
| 893 | E | 93.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.4 | -51.5 | 175.5 | -74.7 | -175.1 | -131 | 0 | 0 | 112.2 | Y531 L532 R824 V889 L890 V895 V896 Y897 | Y531-E893 PolarHBondContact OH-OE1 3.42Å; L532-E893 HydrophobicContact CD2-CG 4.29Å; R824-E893 IonicContact CZ-OE1 2.86Å; R824-E893 IonicContact CZ-OE2 3.13Å; R824-E893 IonicContact NE-OE1 3.1Å; R824-E893 PolarHBondContact NE-OE1 3.38Å; R824-E893 IonicContact NE-OE2 2.66Å; R824-E893 IonicContact NH2-OE1 3.42Å; R824-E893 PolarHBondContact NH2-OE1 2.98Å; R824-E893 IonicContact NH2-OE2 2.79Å; R824-E893 PolarHBondContact NH2-OE2 3.44Å; V889-E893 PolarHBondContact O-N 2.85Å; L890-E893 WeakPolarHBondContact O-CB 3.45Å; L890-E893 PolarHBondContact O-N 2.88Å; E893-V895 VanDerWaalsContact C-N 3.28Å; E893-V895 PolarHBondContact O-N 3.22Å; E893-V896 PolarHBondContact O-N 2.73Å; E893-V896 VanDerWaalsContact O-N 3.08Å; E893-Y897 HydrophobicContact CB-CE2 3.78Å; E893-Y897 WeakPolarHBondContact O-CD1 3.43Å; E893-Y897 WeakPolarHBondContact O-CD2 3.36Å; E893-Y897 VanDerWaalsContact O-CG 3.23Å; E893-Y897 PolarHBondContact O-N 3.28Å; E893-Y897 PolarHBondContact OE2-OH 2.69Å |
| 894 | I | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | -177.4 | -63.2 | -61 | 0 | 0 | 0 | 110.8 | L890 T891 V896 Y897 L898 I917 I920 I921 M924 M951 L955 | L890-I894 HydrophobicContact CD1-CD1 4.3Å; L890-I894 HydrophobicContact CD1-CG1 4.05Å; L890-I894 HydrophobicContact CG-CG1 4.38Å; L890-I894 WeakPolarHBondContact O-CG1 3.42Å; L890-I894 PolarHBondContact O-N 3.01Å; T891-I894 PolarHBondContact O-N 3.25Å; I894-V896 VanDerWaalsContact C-N 3.35Å; I894-V896 PolarHBondContact O-N 3.28Å; I894-Y897 HydrophobicContact CD1-CD2 4.14Å; I894-Y897 PolarHBondContact O-N 2.77Å; I894-L898 HydrophobicContact CG2-CD1 3.85Å; I894-L898 HydrophobicContact CG2-CG 4.17Å; I894-L898 WeakPolarHBondContact O-CB 3.49Å; I894-L898 WeakPolarHBondContact O-CG 3.33Å; I894-L898 PolarHBondContact O-N 2.99Å; I894-I917 HydrophobicContact CB-CG2 4.06Å; I894-I917 HydrophobicContact CG2-CD1 4.42Å; I894-I917 HydrophobicContact CG2-CG2 3.85Å; I894-I920 HydrophobicContact CG2-CG2 4.43Å; I894-I921 HydrophobicContact CG1-CD1 4.48Å; I894-I921 HydrophobicContact CG1-CG1 4.16Å; I894-M924 HydrophobicContact CD1-CE 3.92Å; I894-M924 HydrophobicContact CD1-SD 3.77Å; I894-M951 HydrophobicContact CD1-CG 4.18Å; I894-L955 HydrophobicContact CD1-CD2 4.38Å; I894-L955 HydrophobicContact CG2-CD2 4.22Å |
| 895 | V | 94.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 174.2 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | L837 A840 C841 L844 T891 Q892 E893 L898 A899 I917 | L837-V895 HydrophobicContact CD1-CB 4.08Å; L837-V895 HydrophobicContact CD1-CG1 3.81Å; A840-V895 HydrophobicContact CB-CG1 4.21Å; C841-V895 VanDerWaalsContact SG-CG1 3.55Å; L844-V895 HydrophobicContact CD1-CG1 4.14Å; T891-V895 VanDerWaalsContact O-CG2 3.28Å; T891-V895 WeakPolarHBondContact O-CG2 3.2Å; T891-V895 PolarHBondContact O-N 3.17Å; T891-V895 VanDerWaalsContact O-N 3.08Å; Q892-V895 PolarHBondContact O-N 3.39Å; E893-V895 VanDerWaalsContact C-N 3.28Å; E893-V895 PolarHBondContact O-N 3.22Å; V895-L898 PolarHBondContact O-N 3.46Å; V895-A899 PolarHBondContact O-N 3Å; V895-I917 HydrophobicContact CG2-CD1 4.28Å; V895-I917 HydrophobicContact CG2-CG1 4.16Å |
| 896 | V | 92.3 | Very high | 88.5 | Confident | 8 Ų | 8 | 18.8 Ų | 18.8 | 5% | 0.048 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V834 V836 A840 Q892 E893 I894 L898 A899 M900 | V834-V896 HydrophobicContact CG1-CG2 3.97Å; V836-V896 HydrophobicContact CG2-CG1 4.41Å; V836-V896 HydrophobicContact CG2-CG2 4.29Å; A840-V896 HydrophobicContact CB-CG2 4.04Å; Q892-V896 WeakPolarHBondContact O-CG2 3.24Å; Q892-V896 PolarHBondContact O-N 3.07Å; Q892-V896 VanDerWaalsContact O-N 3.17Å; E893-V896 PolarHBondContact O-N 2.73Å; E893-V896 VanDerWaalsContact O-N 3.08Å; I894-V896 VanDerWaalsContact C-N 3.35Å; I894-V896 PolarHBondContact O-N 3.28Å; V896-L898 PolarHBondContact O-N 3.13Å; V896-A899 WeakPolarHBondContact O-CB 3.41Å; V896-A899 PolarHBondContact O-N 3.32Å; V896-M900 HydrophobicContact CG1-SD 4.17Å; V896-M900 VanDerWaalsContact O-CG 3.29Å; V896-M900 WeakPolarHBondContact O-CG 3.38Å; V896-M900 PolarHBondContact O-N 3.36Å |
| 897 | Y | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 178.6 | -55.9 | -22.6 | 0 | 0 | 0 | 112.3 | L532 M538 E893 I894 A899 M900 Y901 P948 M951 K952 | L532-Y897 HydrophobicContact CD2-CE1 4.06Å; L532-Y897 WeakPolarHBondContact CD2-OH 3.18Å; M538-Y897 HydrophobicContact CE-CD1 3.85Å; M538-Y897 HydrophobicContact CE-CE1 3.46Å; M538-Y897 VanDerWaalsContact CE-CE1 3.46Å; M538-Y897 HydrophobicContact SD-CE1 4.44Å; E893-Y897 HydrophobicContact CB-CE2 3.78Å; E893-Y897 WeakPolarHBondContact O-CD1 3.43Å; E893-Y897 WeakPolarHBondContact O-CD2 3.36Å; E893-Y897 VanDerWaalsContact O-CG 3.23Å; E893-Y897 PolarHBondContact O-N 3.28Å; E893-Y897 PolarHBondContact OE2-OH 2.69Å; I894-Y897 HydrophobicContact CD1-CD2 4.14Å; I894-Y897 PolarHBondContact O-N 2.77Å; Y897-A899 VanDerWaalsContact C-N 3.31Å; Y897-A899 PolarHBondContact O-N 3.36Å; Y897-M900 HydrophobicContact CD1-SD 4.06Å; Y897-M900 WeakPolarHBondContact O-CB 3.09Å; Y897-M900 PolarHBondContact O-N 2.67Å; Y897-Y901 WeakPolarHBondContact O-CD2 3.07Å; Y897-Y901 PolarHBondContact O-N 3.02Å; Y897-P948 WeakPolarHBondContact OH-CA 3.4Å; Y897-P948 WeakPolarHBondContact OH-CB 3.33Å; Y897-M951 HydrophobicContact CE2-CB 4.21Å; Y897-M951 HydrophobicContact CE2-CG 3.93Å; Y897-K952 HydrophobicContact CD1-CB 4.18Å; Y897-K952 HydrophobicContact CD1-CD 4.4Å; Y897-K952 HydrophobicContact CD1-CG 4.42Å; Y897-K952 HydrophobicContact CD2-CB 3.97Å; Y897-K952 HydrophobicContact CE1-CB 4.42Å; Y897-K952 HydrophobicContact CE2-CB 4.22Å; Y897-K952 HydrophobicContact CG-CB 3.97Å; Y897-K952 HydrophobicContact CG-CG 4.25Å |
| 898 | L | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.8 | -70.3 | 168.7 | 0 | 0 | 0 | 111 | L844 I894 V895 V896 Y901 V902 F909 L915 I917 I920 L955 L959 | L844-L898 HydrophobicContact CD1-CB 3.95Å; L844-L898 HydrophobicContact CD2-CB 3.89Å; I894-L898 HydrophobicContact CG2-CD1 3.85Å; I894-L898 HydrophobicContact CG2-CG 4.17Å; I894-L898 WeakPolarHBondContact O-CB 3.49Å; I894-L898 WeakPolarHBondContact O-CG 3.33Å; I894-L898 PolarHBondContact O-N 2.99Å; V895-L898 PolarHBondContact O-N 3.46Å; V896-L898 PolarHBondContact O-N 3.13Å; L898-Y901 PolarHBondContact O-N 3.07Å; L898-V902 PolarHBondContact O-N 3.32Å; L898-F909 HydrophobicContact CD2-CE1 3.85Å; L898-F909 HydrophobicContact CD2-CZ 4.02Å; L898-L915 HydrophobicContact CD1-CD1 4.2Å; L898-I917 HydrophobicContact CD1-CD1 3.2Å; L898-I920 HydrophobicContact CD1-CD1 4.35Å; L898-L955 HydrophobicContact CD2-CD1 4.26Å; L898-L955 HydrophobicContact CD2-CD2 3.96Å; L898-L955 HydrophobicContact CD2-CG 4.44Å; L898-L955 HydrophobicContact CG-CD2 4.03Å; L898-L959 HydrophobicContact CD2-CD1 3.7Å; L898-L959 HydrophobicContact CD2-CD2 4.41Å |
| 899 | A | 90.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A840 D843 L844 V895 V896 Y897 Y901 V902 R903 | A840-A899 HydrophobicContact CB-CB 3.55Å; A840-A899 WeakPolarHBondContact O-CB 3.46Å; D843-A899 HydrophobicContact CB-CB 4.36Å; L844-A899 HydrophobicContact CD1-CB 4.31Å; L844-A899 HydrophobicContact CG-CB 4.15Å; V895-A899 PolarHBondContact O-N 3Å; V896-A899 WeakPolarHBondContact O-CB 3.41Å; V896-A899 PolarHBondContact O-N 3.32Å; Y897-A899 VanDerWaalsContact C-N 3.31Å; Y897-A899 PolarHBondContact O-N 3.36Å; A899-Y901 VanDerWaalsContact C-N 3.32Å; A899-Y901 PolarHBondContact O-N 3.32Å; A899-V902 WeakPolarHBondContact O-CG1 3.35Å; A899-V902 PolarHBondContact O-N 3.28Å; A899-R903 WeakPolarHBondContact O-CG 3.14Å; A899-R903 PolarHBondContact O-N 2.78Å |
| 900 | M | 88.6 | Confident | 87.8 | Confident | 19 Ų | 19 | 25.2 Ų | 25.2 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 173 | -66.2 | 167.1 | 77.6 | 0 | 0 | 111.6 | M538 M542 I545 V896 Y897 A904 K952 | M538-M900 HydrophobicContact CE-CE 3.63Å; M538-M900 HydrophobicContact CE-SD 3.62Å; M542-M900 HydrophobicContact CG-CE 4.17Å; I545-M900 HydrophobicContact CD1-CB 4.19Å; I545-M900 HydrophobicContact CD1-CE 3.3Å; I545-M900 HydrophobicContact CD1-CG 4.41Å; V896-M900 HydrophobicContact CG1-SD 4.17Å; V896-M900 VanDerWaalsContact O-CG 3.29Å; V896-M900 WeakPolarHBondContact O-CG 3.38Å; V896-M900 PolarHBondContact O-N 3.36Å; Y897-M900 HydrophobicContact CD1-SD 4.06Å; Y897-M900 WeakPolarHBondContact O-CB 3.09Å; Y897-M900 PolarHBondContact O-N 2.67Å; M900-A904 WeakPolarHBondContact O-CB 3.38Å; M900-A904 PolarHBondContact O-N 3.17Å; M900-K952 HydrophobicContact CE-CD 4.07Å; M900-K952 HydrophobicContact SD-CD 4.39Å |
| 901 | Y | 89.8 | Confident | 87.1 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.3 | -38.3 | 179.4 | -74.8 | -53.7 | 0 | 0 | 0 | 113.8 | Y897 L898 A899 R903 A904 Q905 L908 K952 L955 H956 L959 | Y897-Y901 WeakPolarHBondContact O-CD2 3.07Å; Y897-Y901 PolarHBondContact O-N 3.02Å; L898-Y901 PolarHBondContact O-N 3.07Å; A899-Y901 VanDerWaalsContact C-N 3.32Å; A899-Y901 PolarHBondContact O-N 3.32Å; Y901-R903 PolarHBondContact O-N 3.32Å; Y901-A904 PolarHBondContact O-N 3.26Å; Y901-Q905 CarbonylContact O-C 3.11Å; Y901-Q905 VanDerWaalsContact O-C 3.22Å; Y901-Q905 WeakPolarHBondContact O-CA 3.46Å; Y901-Q905 PolarHBondContact O-N 2.7Å; Y901-L908 HydrophobicContact CD1-CD1 4.25Å; Y901-L908 HydrophobicContact CG-CD1 4.43Å; Y901-K952 HydrophobicContact CE2-CG 3.9Å; Y901-K952 WeakPolarHBondContact OH-CE 3.38Å; Y901-K952 WeakPolarHBondContact OH-CG 3.41Å; Y901-K952 PolarHBondContact OH-O 3.13Å; Y901-L955 HydrophobicContact CD2-CD2 4.27Å; Y901-L955 HydrophobicContact CE2-CD2 4.22Å; Y901-L955 HydrophobicContact CE2-CG 4.38Å; Y901-H956 AromaticContact CD1-CD2 3.92Å; Y901-H956 HydrophobicContact CE1-CB 4.04Å; Y901-H956 AromaticContact CE1-CD2 3.46Å; Y901-H956 VanDerWaalsContact CE1-CD2 3.46Å; Y901-H956 WeakPolarHBondContact CE1-CD2 3.21Å; Y901-H956 HydrophobicContact CE2-CB 4.25Å; Y901-H956 AromaticContact CZ-CD2 4Å; Y901-H956 WeakPolarHBondContact OH-CB 3.47Å; Y901-L959 HydrophobicContact CD2-CD1 4.32Å |
| 902 | V | 85.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 179.4 | 79.8 | 0 | 0 | 0 | 0 | 110.8 | L844 H847 L898 A899 P906 F909 | L844-V902 HydrophobicContact CD2-CB 4.15Å; L844-V902 HydrophobicContact CD2-CG1 3.91Å; H847-V902 HydrophobicContact CB-CG2 3.59Å; L898-V902 PolarHBondContact O-N 3.32Å; A899-V902 WeakPolarHBondContact O-CG1 3.35Å; A899-V902 PolarHBondContact O-N 3.28Å; V902-P906 WeakPolarHBondContact O-CA 3.33Å; V902-P906 WeakPolarHBondContact O-CD 3.42Å; V902-P906 WeakPolarHBondContact O-CG 3.47Å; V902-F909 HydrophobicContact CB-CD2 4.1Å; V902-F909 HydrophobicContact CB-CE2 3.87Å; V902-F909 HydrophobicContact CB-CZ 4.3Å; V902-F909 HydrophobicContact CG2-CD2 3.97Å; V902-F909 HydrophobicContact CG2-CE2 4.26Å; V902-F909 HydrophobicContact CG2-CG 4.36Å |
| 903 | R | 77.9 | Confident | 86.1 | Confident | 77 Ų | 77 | 28.2 Ų | 28.2 | 29% | 0.291 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.2 | -48.3 | 173.5 | -74.5 | 173.5 | 53 | -179.9 | -6.3 | 112.8 | D843 A899 Y901 | D843-R903 VanDerWaalsContact OD2-CD 3.31Å; D843-R903 WeakPolarHBondContact OD2-CD 3.3Å; D843-R903 IonicContact OD2-NH1 2.65Å; A899-R903 WeakPolarHBondContact O-CG 3.14Å; A899-R903 PolarHBondContact O-N 2.78Å; Y901-R903 PolarHBondContact O-N 3.32Å |
| 904 | A | 80.1 | Confident | 85.8 | Confident | 61 Ų | 61 | 29.2 Ų | 29.2 | 50% | 0.504 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -80.9 | -35.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M900 Y901 | M900-A904 WeakPolarHBondContact O-CB 3.38Å; M900-A904 PolarHBondContact O-N 3.17Å; Y901-A904 PolarHBondContact O-N 3.26Å |
| 905 | Q | 82.7 | Confident | 85.5 | Confident | 84 Ų | 84 | 29.3 Ų | 29.3 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | trans | -141.8 | 69.1 | -175.4 | -62.4 | -177.7 | 4 | 0 | 0 | 111.3 | Y901 S907 L908 H956 | Y901-Q905 CarbonylContact O-C 3.11Å; Y901-Q905 VanDerWaalsContact O-C 3.22Å; Y901-Q905 WeakPolarHBondContact O-CA 3.46Å; Y901-Q905 PolarHBondContact O-N 2.7Å; Q905-S907 PolarHBondContact O-N 3.11Å; Q905-L908 HydrophobicContact CB-CD1 3.87Å; Q905-L908 HydrophobicContact CB-CG 4.06Å; Q905-L908 PolarHBondContact O-N 3.43Å; Q905-L908 VanDerWaalsContact O-N 3.11Å; Q905-H956 PolarHBondContact OE1-NE2 3.11Å | ||
| 906 | P | 81.4 | Confident | 85.2 | Confident | 71 Ų | 71 | 29.6 Ų | 29.6 | 46% | 0.461 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -55.9 | -25.7 | -178.4 | -18.4 | 23.2 | 0 | 0 | 0 | 114.3 | V902 L908 F909 | V902-P906 WeakPolarHBondContact O-CA 3.33Å; V902-P906 WeakPolarHBondContact O-CD 3.42Å; V902-P906 WeakPolarHBondContact O-CG 3.47Å; P906-L908 PolarHBondContact O-N 2.9Å; P906-L908 VanDerWaalsContact O-N 3.17Å; P906-F909 PolarHBondContact O-N 3.25Å; P906-F909 VanDerWaalsContact O-N 3.1Å |
| 907 | S | 80.8 | Confident | 85 | Confident | 91 Ų | 91 | 29.2 Ų | 29.2 | 64% | 0.636 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -61.6 | -19.8 | 179.5 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | Q905 F909 V910 | Q905-S907 PolarHBondContact O-N 3.11Å; S907-F909 PolarHBondContact O-N 3.12Å; S907-V910 WeakPolarHBondContact O-CG2 3.42Å |
| 908 | L | 84.1 | Confident | 84.7 | Confident | 19 Ų | 19 | 29.4 Ų | 29.4 | 10% | 0.099 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -66.1 | -21.6 | 175 | -66.5 | 175.7 | 0 | 0 | 0 | 113 | Y901 Q905 P906 R1079 | Y901-L908 HydrophobicContact CD1-CD1 4.25Å; Y901-L908 HydrophobicContact CG-CD1 4.43Å; Q905-L908 HydrophobicContact CB-CD1 3.87Å; Q905-L908 HydrophobicContact CB-CG 4.06Å; Q905-L908 PolarHBondContact O-N 3.43Å; Q905-L908 VanDerWaalsContact O-N 3.11Å; P906-L908 PolarHBondContact O-N 2.9Å; P906-L908 VanDerWaalsContact O-N 3.17Å; L908-R1079 PolarHBondContact O-NH2 2.93Å |
| 909 | F | 86 | Confident | 84.2 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -110.8 | 16.8 | -171.5 | -58 | -92.3 | 0 | 0 | 0 | 113.7 | K849 L898 V902 P906 S907 E911 M912 L915 L959 | K849-F909 HydrophobicContact CD-CB 4.35Å; K849-F909 PolarHBondContact NZ-O 3.27Å; L898-F909 HydrophobicContact CD2-CE1 3.85Å; L898-F909 HydrophobicContact CD2-CZ 4.02Å; V902-F909 HydrophobicContact CB-CD2 4.1Å; V902-F909 HydrophobicContact CB-CE2 3.87Å; V902-F909 HydrophobicContact CB-CZ 4.3Å; V902-F909 HydrophobicContact CG2-CD2 3.97Å; V902-F909 HydrophobicContact CG2-CE2 4.26Å; V902-F909 HydrophobicContact CG2-CG 4.36Å; P906-F909 PolarHBondContact O-N 3.25Å; P906-F909 VanDerWaalsContact O-N 3.1Å; S907-F909 PolarHBondContact O-N 3.12Å; F909-E911 PolarHBondContact O-N 3.08Å; F909-M912 HydrophobicContact CD1-CE 4.32Å; F909-M912 PolarHBondContact O-N 3.27Å; F909-L915 HydrophobicContact CD1-CD1 4.08Å; F909-L915 HydrophobicContact CD1-CD2 3.92Å; F909-L915 HydrophobicContact CE1-CD1 3.83Å; F909-L915 HydrophobicContact CE1-CD2 4.16Å; F909-L959 HydrophobicContact CE1-CD1 4.3Å; F909-L959 HydrophobicContact CZ-CD1 3.99Å |
| 910 | V | 78.2 | Confident | 84.1 | Confident | 74 Ų | 74 | 29.8 Ų | 29.8 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 130.4 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | S907 M912 V1082 | S907-V910 WeakPolarHBondContact O-CG2 3.42Å; V910-M912 PolarHBondContact O-N 3.05Å; V910-M912 VanDerWaalsContact O-N 3.13Å; V910-V1082 HydrophobicContact CG1-CG2 4.06Å |
| 911 | E | 77.3 | Confident | 84 | Confident | 44 Ų | 44 | 29.1 Ų | 29.1 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 26.3 | 179.6 | -59.2 | -70.5 | 166.6 | 0 | 0 | 114.7 | F909 V1080 V1082 | F909-E911 PolarHBondContact O-N 3.08Å; E911-V1080 HydrophobicContact CB-CG2 4.02Å; E911-V1080 WeakPolarHBondContact CB-O 3.1Å; E911-V1082 HydrophobicContact CG-CB 4.4Å; E911-V1082 HydrophobicContact CG-CG2 3.97Å |
| 912 | M | 83.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -108.1 | 110.2 | 168 | -65.1 | 169.1 | 54.8 | 0 | 0 | 107.6 | K849 F909 V910 L915 L959 I1077 R1079 | K849-M912 WeakPolarHBondContact CD-O 3.33Å; K849-M912 WeakPolarHBondContact CE-O 3.47Å; K849-M912 PolarHBondContact NZ-O 3.38Å; F909-M912 HydrophobicContact CD1-CE 4.32Å; F909-M912 PolarHBondContact O-N 3.27Å; V910-M912 PolarHBondContact O-N 3.05Å; V910-M912 VanDerWaalsContact O-N 3.13Å; M912-L915 HydrophobicContact CB-CD2 4.43Å; M912-L915 HydrophobicContact CE-CD2 3.46Å; M912-L915 VanDerWaalsContact CE-CD2 3.46Å; M912-L959 HydrophobicContact CE-CD2 4.28Å; M912-I1077 HydrophobicContact CE-CB 3.75Å; M912-I1077 HydrophobicContact CE-CD1 4.13Å; M912-I1077 HydrophobicContact CE-CG1 4.06Å; M912-I1077 HydrophobicContact SD-CD1 4.08Å; M912-I1077 HydrophobicContact SD-CG1 4.29Å; M912-R1079 HydrophobicContact CG-CB 4.12Å; M912-R1079 HydrophobicContact CG-CG 4.4Å | ||
| 913 | L | 81.8 | Confident | 83.6 | Confident | 21 Ų | 21 | 32.3 Ų | 32.3 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -96 | -25.1 | 179.7 | -51.7 | 170.5 | 0 | 0 | 0 | 112.5 | K849 Q850 Y1085 A1121 E1125 | K849-L913 CarbonylContact C-O 3.56Å; K849-L913 WeakPolarHBondContact CA-O 3.22Å; Q850-L913 PolarHBondContact N-O 3.32Å; L913-Y1085 HydrophobicContact CD1-CE1 4.36Å; L913-Y1085 HydrophobicContact CD1-CE2 3.76Å; L913-Y1085 HydrophobicContact CG-CE2 4.35Å; L913-A1121 HydrophobicContact CD1-CB 3.48Å; L913-A1121 VanDerWaalsContact CD1-CB 3.48Å; L913-E1125 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 914 | R | 85.7 | Confident | 84 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.7 | 178 | -170.3 | 176.2 | -78.5 | -167.1 | -0.5 | 111.8 | Q850 T852 R916 E1125 | Q850-R914 HydrophobicContact CB-CB 4.3Å; Q850-R914 HydrophobicContact CB-CG 4.14Å; Q850-R914 CarbonylContact O-C 3.18Å; Q850-R914 VanDerWaalsContact O-CA 3.25Å; Q850-R914 WeakPolarHBondContact O-CA 3.37Å; T852-R914 HydrophobicContact CG2-CG 3.87Å; R914-R916 HydrophobicContact CG-CG 4.23Å; R914-E1125 WeakPolarHBondContact CB-OE1 2.88Å |
| 915 | L | 88 | Confident | 84.2 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 108.8 | 175.2 | -51 | 177.4 | 0 | 0 | 0 | 109 | L844 K849 Q850 L851 T852 L898 F909 M912 I917 I920 | L844-L915 HydrophobicContact CD2-CD1 3.86Å; K849-L915 HydrophobicContact CB-CD1 3.88Å; K849-L915 HydrophobicContact CB-CG 4.1Å; K849-L915 HydrophobicContact CG-CD1 4.36Å; Q850-L915 PolarHBondContact O-N 3.46Å; L851-L915 WeakPolarHBondContact CA-O 3.47Å; L851-L915 HydrophobicContact CD2-CB 3.86Å; L851-L915 HydrophobicContact CD2-CD1 3.92Å; L851-L915 HydrophobicContact CD2-CG 4.22Å; T852-L915 PolarHBondContact N-O 3.25Å; L898-L915 HydrophobicContact CD1-CD1 4.2Å; F909-L915 HydrophobicContact CD1-CD1 4.08Å; F909-L915 HydrophobicContact CD1-CD2 3.92Å; F909-L915 HydrophobicContact CE1-CD1 3.83Å; F909-L915 HydrophobicContact CE1-CD2 4.16Å; M912-L915 HydrophobicContact CB-CD2 4.43Å; M912-L915 HydrophobicContact CE-CD2 3.46Å; M912-L915 VanDerWaalsContact CE-CD2 3.46Å; L915-I917 HydrophobicContact CB-CD1 4.3Å; L915-I917 PolarHBondContact O-N 2.9Å; L915-I920 HydrophobicContact CB-CD1 4.46Å |
| 916 | R | 87.2 | Confident | 84.1 | Confident | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 90.9 | -178 | -57.6 | -180 | 77.6 | 177.5 | 6.4 | 109.6 | T852 E861 R914 G918 L919 I920 N1129 | T852-R916 HydrophobicContact CG2-CG 4.49Å; T852-R916 VanDerWaalsContact OG1-CA 3.26Å; T852-R916 WeakPolarHBondContact OG1-CA 3.27Å; T852-R916 WeakPolarHBondContact OG1-CB 3.27Å; T852-R916 WeakPolarHBondContact OG1-CG 3.43Å; E861-R916 VanDerWaalsContact CD-NH2 3.33Å; E861-R916 IonicContact OE1-CZ 2.93Å; E861-R916 IonicContact OE1-NE 2.81Å; E861-R916 PolarHBondContact OE1-NE 3.07Å; E861-R916 IonicContact OE1-NH2 3.87Å; E861-R916 PolarHBondContact OE1-NH2 2.94Å; E861-R916 IonicContact OE2-CZ 3.44Å; E861-R916 IonicContact OE2-NE 3.88Å; E861-R916 IonicContact OE2-NH2 3.91Å; E861-R916 PolarHBondContact OE2-NH2 2.96Å; R914-R916 HydrophobicContact CG-CG 4.23Å; R916-G918 VanDerWaalsContact C-N 3.29Å; R916-G918 PolarHBondContact O-N 2.81Å; R916-L919 HydrophobicContact CB-CB 4.14Å; R916-L919 HydrophobicContact CB-CD1 4.12Å; R916-L919 HydrophobicContact CB-CG 4.21Å; R916-L919 PolarHBondContact O-N 3.17Å; R916-L919 VanDerWaalsContact O-N 3.07Å; R916-I920 WeakPolarHBondContact O-CG1 3.31Å; R916-I920 PolarHBondContact O-N 3.36Å; R916-N1129 PolarHBondContact NH1-OD1 3.33Å |
| 917 | I | 90 | Very high | 84 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | -168.3 | -51.9 | -56.8 | 0 | 0 | 0 | 111.5 | T852 V853 T891 I894 V895 L898 L915 L919 I920 I921 | T852-I917 VanDerWaalsContact O-CB 3.31Å; T852-I917 WeakPolarHBondContact O-CB 3.49Å; T852-I917 VanDerWaalsContact O-CG1 3.25Å; T852-I917 WeakPolarHBondContact O-CG1 3.31Å; T852-I917 PolarHBondContact O-N 3.37Å; V853-I917 HydrophobicContact CG1-CG1 4.37Å; T891-I917 HydrophobicContact CG2-CB 4.44Å; T891-I917 HydrophobicContact CG2-CG2 3.88Å; I894-I917 HydrophobicContact CB-CG2 4.06Å; I894-I917 HydrophobicContact CG2-CD1 4.42Å; I894-I917 HydrophobicContact CG2-CG2 3.85Å; V895-I917 HydrophobicContact CG2-CD1 4.28Å; V895-I917 HydrophobicContact CG2-CG1 4.16Å; L898-I917 HydrophobicContact CD1-CD1 3.2Å; L915-I917 HydrophobicContact CB-CD1 4.3Å; L915-I917 PolarHBondContact O-N 2.9Å; I917-L919 PolarHBondContact O-N 2.73Å; I917-I920 HydrophobicContact CD1-CD1 4.44Å; I917-I920 PolarHBondContact O-N 3.3Å; I917-I921 HydrophobicContact CG2-CD1 4.1Å; I917-I921 WeakPolarHBondContact O-CG1 3.41Å; I917-I921 PolarHBondContact O-N 2.91Å |
| 918 | G | 86 | Confident | 84.1 | Confident | 5 Ų | 5 | 16.4 Ų | 16.4 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G854 L855 R916 I921 Q922 | G854-G918 WeakPolarHBondContact O-CA 3.49Å; L855-G918 WeakPolarHBondContact CD2-O 3.5Å; R916-G918 VanDerWaalsContact C-N 3.29Å; R916-G918 PolarHBondContact O-N 2.81Å; G918-I921 PolarHBondContact O-N 2.81Å; G918-Q922 PolarHBondContact O-N 3.47Å |
| 919 | L | 83.8 | Confident | 83.9 | Confident | 12 Ų | 12 | 16 Ų | 16 | 6% | 0.063 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.8 | -35.2 | 176.8 | -68.3 | -175.2 | 0 | 0 | 0 | 112 | P856 R916 I917 Q922 V923 A1076 | P856-L919 HydrophobicContact CG-CD1 4.29Å; P856-L919 HydrophobicContact CG-CD2 3.65Å; P856-L919 HydrophobicContact CG-CG 4.05Å; R916-L919 HydrophobicContact CB-CB 4.14Å; R916-L919 HydrophobicContact CB-CD1 4.12Å; R916-L919 HydrophobicContact CB-CG 4.21Å; R916-L919 PolarHBondContact O-N 3.17Å; R916-L919 VanDerWaalsContact O-N 3.07Å; I917-L919 PolarHBondContact O-N 2.73Å; L919-Q922 WeakPolarHBondContact O-CB 3.42Å; L919-Q922 PolarHBondContact O-N 3.42Å; L919-V923 WeakPolarHBondContact O-CB 3.42Å; L919-V923 VanDerWaalsContact O-CG2 3.31Å; L919-V923 WeakPolarHBondContact O-CG2 3.38Å; L919-V923 PolarHBondContact O-N 3.46Å; L919-A1076 HydrophobicContact CB-CB 4.39Å |
| 920 | I | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 174.3 | -67.8 | 168.3 | 0 | 0 | 0 | 110.1 | I894 L898 L915 R916 I917 Q922 V923 M924 L955 I1077 | I894-I920 HydrophobicContact CG2-CG2 4.43Å; L898-I920 HydrophobicContact CD1-CD1 4.35Å; L915-I920 HydrophobicContact CB-CD1 4.46Å; R916-I920 WeakPolarHBondContact O-CG1 3.31Å; R916-I920 PolarHBondContact O-N 3.36Å; I917-I920 HydrophobicContact CD1-CD1 4.44Å; I917-I920 PolarHBondContact O-N 3.3Å; I920-Q922 VanDerWaalsContact C-N 3.3Å; I920-Q922 PolarHBondContact O-N 2.74Å; I920-V923 PolarHBondContact O-N 2.78Å; I920-M924 HydrophobicContact CG2-SD 4.2Å; I920-M924 VanDerWaalsContact O-CG 3.31Å; I920-M924 WeakPolarHBondContact O-CG 3.47Å; I920-M924 PolarHBondContact O-N 3.42Å; I920-L955 HydrophobicContact CG2-CD1 3.51Å; I920-I1077 HydrophobicContact CG1-CG2 4.23Å |
| 921 | I | 87.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.7 | -68 | 166.9 | 0 | 0 | 0 | 110.8 | L732 L890 I894 I917 G918 V923 M924 A925 L943 | L732-I921 HydrophobicContact CD1-CG2 4.09Å; L890-I921 HydrophobicContact CD2-CD1 4.15Å; L890-I921 HydrophobicContact CD2-CG1 4.25Å; L890-I921 HydrophobicContact CD2-CG2 3.85Å; L890-I921 HydrophobicContact CG-CD1 4.01Å; L890-I921 HydrophobicContact CG-CG1 4.34Å; I894-I921 HydrophobicContact CG1-CD1 4.48Å; I894-I921 HydrophobicContact CG1-CG1 4.16Å; I917-I921 HydrophobicContact CG2-CD1 4.1Å; I917-I921 WeakPolarHBondContact O-CG1 3.41Å; I917-I921 PolarHBondContact O-N 2.91Å; G918-I921 PolarHBondContact O-N 2.81Å; I921-V923 PolarHBondContact O-N 3.12Å; I921-M924 WeakPolarHBondContact O-CB 3.43Å; I921-M924 PolarHBondContact O-N 3.39Å; I921-A925 PolarHBondContact O-N 3.23Å; I921-L943 HydrophobicContact CG2-CD2 4.2Å |
| 922 | Q | 83.6 | Confident | 83.6 | Confident | 65 Ų | 65 | 18.4 Ų | 18.4 | 30% | 0.304 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.5 | -163.3 | -176.7 | -6.7 | 0 | 0 | 112.3 | L732 L855 G918 L919 I920 A925 T926 | L732-Q922 HydrophobicContact CB-CG 4.32Å; L732-Q922 WeakPolarHBondContact O-CG 3.47Å; L732-Q922 PolarHBondContact O-NE2 3.46Å; L855-Q922 HydrophobicContact CD2-CB 4.46Å; G918-Q922 PolarHBondContact O-N 3.47Å; L919-Q922 WeakPolarHBondContact O-CB 3.42Å; L919-Q922 PolarHBondContact O-N 3.42Å; I920-Q922 VanDerWaalsContact C-N 3.3Å; I920-Q922 PolarHBondContact O-N 2.74Å; Q922-A925 PolarHBondContact O-N 3.06Å; Q922-T926 WeakPolarHBondContact O-CB 3.3Å; Q922-T926 PolarHBondContact O-N 3.36Å; Q922-T926 PolarHBondContact O-OG1 3.4Å |
| 923 | V | 83.3 | Confident | 83.3 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 11% | 0.109 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.7 | 165.1 | 0 | 0 | 0 | 0 | 110.9 | L919 I920 I921 A925 T926 E927 I958 L1073 A1076 | L919-V923 WeakPolarHBondContact O-CB 3.42Å; L919-V923 VanDerWaalsContact O-CG2 3.31Å; L919-V923 WeakPolarHBondContact O-CG2 3.38Å; L919-V923 PolarHBondContact O-N 3.46Å; I920-V923 PolarHBondContact O-N 2.78Å; I921-V923 PolarHBondContact O-N 3.12Å; V923-A925 PolarHBondContact O-N 3.5Å; V923-T926 PolarHBondContact O-N 3.38Å; V923-E927 HydrophobicContact CG1-CG 4.37Å; V923-E927 WeakPolarHBondContact O-CB 3.49Å; V923-E927 WeakPolarHBondContact O-CG 3.11Å; V923-E927 PolarHBondContact O-N 2.92Å; V923-I958 HydrophobicContact CG1-CD1 4.27Å; V923-I958 HydrophobicContact CG1-CG1 4.43Å; V923-I958 HydrophobicContact CG1-CG2 3.89Å; V923-L1073 HydrophobicContact CG1-CD2 3.22Å; V923-A1076 HydrophobicContact CG2-CB 3.69Å |
| 924 | M | 85.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 175.1 | -72.1 | 171.7 | 83.8 | 0 | 0 | 111.7 | I894 I920 I921 E927 L928 L943 M951 L954 L955 I958 | I894-M924 HydrophobicContact CD1-CE 3.92Å; I894-M924 HydrophobicContact CD1-SD 3.77Å; I920-M924 HydrophobicContact CG2-SD 4.2Å; I920-M924 VanDerWaalsContact O-CG 3.31Å; I920-M924 WeakPolarHBondContact O-CG 3.47Å; I920-M924 PolarHBondContact O-N 3.42Å; I921-M924 WeakPolarHBondContact O-CB 3.43Å; I921-M924 PolarHBondContact O-N 3.39Å; M924-E927 PolarHBondContact O-N 3.25Å; M924-L928 WeakPolarHBondContact O-CG 3.41Å; M924-L928 PolarHBondContact O-N 2.8Å; M924-L943 HydrophobicContact CB-CD1 3.99Å; M924-L943 HydrophobicContact CB-CD2 4.37Å; M924-L943 HydrophobicContact CE-CD1 4.25Å; M924-M951 HydrophobicContact CE-CG 3.95Å; M924-L954 HydrophobicContact CB-CD2 4.09Å; M924-L954 HydrophobicContact CE-CB 4.05Å; M924-L954 HydrophobicContact CE-CD2 3.81Å; M924-L954 HydrophobicContact CE-CG 3.91Å; M924-L954 HydrophobicContact CG-CD2 4.33Å; M924-L954 HydrophobicContact CG-CG 4.35Å; M924-L955 HydrophobicContact CE-CB 4.2Å; M924-L955 HydrophobicContact SD-CD1 4.37Å; M924-I958 HydrophobicContact CB-CD1 3.96Å; M924-I958 HydrophobicContact CG-CD1 3.17Å |
| 925 | A | 85.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L732 I921 Q922 V923 E927 L928 A929 L943 | L732-A925 HydrophobicContact CB-CB 3.69Å; L732-A925 HydrophobicContact CD1-CB 3.45Å; L732-A925 VanDerWaalsContact CD1-CB 3.45Å; L732-A925 HydrophobicContact CG-CB 4.2Å; I921-A925 PolarHBondContact O-N 3.23Å; Q922-A925 PolarHBondContact O-N 3.06Å; V923-A925 PolarHBondContact O-N 3.5Å; A925-E927 PolarHBondContact O-N 3.06Å; A925-L928 PolarHBondContact O-N 3.19Å; A925-A929 WeakPolarHBondContact O-CB 3.5Å; A925-A929 PolarHBondContact O-N 3.41Å; A925-L943 HydrophobicContact CB-CD2 4.11Å |
| 926 | T | 80.2 | Confident | 82 | Confident | 37 Ų | 37 | 26.6 Ų | 26.6 | 23% | 0.227 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | V733 Q922 V923 A929 R930 | V733-T926 HydrophobicContact CG1-CG2 4.29Å; Q922-T926 WeakPolarHBondContact O-CB 3.3Å; Q922-T926 PolarHBondContact O-N 3.36Å; Q922-T926 PolarHBondContact O-OG1 3.4Å; V923-T926 PolarHBondContact O-N 3.38Å; T926-A929 PolarHBondContact O-N 3.08Å; T926-R930 PolarHBondContact O-N 3.27Å |
| 927 | E | 79.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -37.1 | 176.6 | -75.7 | -60.7 | 141.6 | 0 | 0 | 112.6 | V923 M924 A925 R930 S931 F964 R1069 | V923-E927 HydrophobicContact CG1-CG 4.37Å; V923-E927 WeakPolarHBondContact O-CB 3.49Å; V923-E927 WeakPolarHBondContact O-CG 3.11Å; V923-E927 PolarHBondContact O-N 2.92Å; M924-E927 PolarHBondContact O-N 3.25Å; A925-E927 PolarHBondContact O-N 3.06Å; E927-R930 IonicContact OE2-CZ 3.34Å; E927-R930 IonicContact OE2-NE 2.75Å; E927-R930 PolarHBondContact OE2-NE 3.18Å; E927-R930 IonicContact OE2-NH2 2.92Å; E927-R930 PolarHBondContact OE2-NH2 3.16Å; E927-S931 VanDerWaalsContact O-CB 3.29Å; E927-S931 WeakPolarHBondContact O-CB 3.41Å; E927-S931 PolarHBondContact O-N 2.76Å; E927-S931 PolarHBondContact O-OG 3.08Å; E927-F964 HydrophobicContact CB-CZ 4.27Å; E927-R1069 VanDerWaalsContact CD-NH2 3.35Å; E927-R1069 WeakPolarHBondContact OE1-CG 3.48Å; E927-R1069 IonicContact OE1-CZ 2.67Å; E927-R1069 IonicContact OE1-NE 2.81Å; E927-R1069 PolarHBondContact OE1-NE 3.41Å; E927-R1069 IonicContact OE1-NH2 3.31Å; E927-R1069 IonicContact OE2-CZ 2.99Å; E927-R1069 VanDerWaalsContact OE2-CZ 3.26Å; E927-R1069 IonicContact OE2-NE 3.42Å; E927-R1069 PolarHBondContact OE2-NE 3.27Å; E927-R1069 IonicContact OE2-NH2 3.19Å; E927-R1069 PolarHBondContact OE2-NH2 2.98Å |
| 928 | L | 81.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 171.2 | -75 | 174.1 | 0 | 0 | 0 | 111.9 | M924 A925 R930 S931 L932 A939 L943 L946 L954 V966 | M924-L928 WeakPolarHBondContact O-CG 3.41Å; M924-L928 PolarHBondContact O-N 2.8Å; A925-L928 PolarHBondContact O-N 3.19Å; L928-R930 VanDerWaalsContact C-N 3.29Å; L928-R930 PolarHBondContact O-N 3.27Å; L928-S931 PolarHBondContact O-N 3.21Å; L928-L932 WeakPolarHBondContact O-CB 3.38Å; L928-L932 WeakPolarHBondContact O-CG 3.36Å; L928-L932 PolarHBondContact O-N 2.99Å; L928-A939 HydrophobicContact CB-CB 4.39Å; L928-L943 HydrophobicContact CD1-CB 3.79Å; L928-L943 HydrophobicContact CD1-CD1 3.58Å; L928-L943 HydrophobicContact CD1-CG 4.28Å; L928-L946 HydrophobicContact CD1-CD1 4.28Å; L928-L954 HydrophobicContact CD1-CD2 3.79Å; L928-L954 HydrophobicContact CD2-CD2 4.14Å; L928-L954 HydrophobicContact CG-CD2 3.86Å; L928-V966 HydrophobicContact CD2-CG1 4.03Å; L928-V966 HydrophobicContact CD2-CG2 4.4Å |
| 929 | A | 80.7 | Confident | 79.9 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V733 A925 T926 N933 C934 A939 | V733-A929 HydrophobicContact CG2-CB 4.44Å; A925-A929 WeakPolarHBondContact O-CB 3.5Å; A925-A929 PolarHBondContact O-N 3.41Å; T926-A929 PolarHBondContact O-N 3.08Å; A929-N933 WeakPolarHBondContact O-CA 3.4Å; A929-N933 PolarHBondContact O-N 3.09Å; A929-C934 PolarHBondContact O-N 3.42Å; A929-A939 HydrophobicContact CB-CB 3.53Å |
| 930 | R | 77.6 | Confident | 79.7 | Confident | 119 Ų | 119 | 32.9 Ų | 32.9 | 45% | 0.449 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 177.5 | -171.8 | -168.5 | 62.8 | 69.6 | 6.3 | 112.3 | T926 E927 L928 N933 | T926-R930 PolarHBondContact O-N 3.27Å; E927-R930 IonicContact OE2-CZ 3.34Å; E927-R930 IonicContact OE2-NE 2.75Å; E927-R930 PolarHBondContact OE2-NE 3.18Å; E927-R930 IonicContact OE2-NH2 2.92Å; E927-R930 PolarHBondContact OE2-NH2 3.16Å; L928-R930 VanDerWaalsContact C-N 3.29Å; L928-R930 PolarHBondContact O-N 3.27Å; R930-N933 PolarHBondContact O-OD1 3.1Å; R930-N933 VanDerWaalsContact O-OD1 3.12Å |
| 931 | S | 78.9 | Confident | 79.3 | Confident | 26 Ų | 26 | 38.7 Ų | 38.7 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76 | -32.7 | -173.9 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | E927 L928 | E927-S931 VanDerWaalsContact O-CB 3.29Å; E927-S931 WeakPolarHBondContact O-CB 3.41Å; E927-S931 PolarHBondContact O-N 2.76Å; E927-S931 PolarHBondContact O-OG 3.08Å; L928-S931 PolarHBondContact O-N 3.21Å |
| 932 | L | 77.6 | Confident | 79 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -91.2 | -3.6 | 177.5 | -63.5 | 175.8 | 0 | 0 | 0 | 113.5 | L928 C934 V966 R968 I982 | L928-L932 WeakPolarHBondContact O-CB 3.38Å; L928-L932 WeakPolarHBondContact O-CG 3.36Å; L928-L932 PolarHBondContact O-N 2.99Å; L932-C934 VanDerWaalsContact C-N 3.26Å; L932-C934 HydrophobicContact CB-CB 4.41Å; L932-C934 PolarHBondContact O-N 2.84Å; L932-V966 HydrophobicContact CD2-CG1 3.87Å; L932-V966 HydrophobicContact CG-CG1 4.23Å; L932-R968 HydrophobicContact CD2-CG 3.93Å; L932-I982 HydrophobicContact CD1-CD1 4.07Å |
| 933 | N | 78.1 | Confident | 79 | Confident | 151 Ų | 151 | 36.5 Ų | 36.5 | 81% | 0.807 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.8 | -171.8 | -71.6 | -22.8 | 0 | 0 | 0 | 112.8 | A929 R930 | A929-N933 WeakPolarHBondContact O-CA 3.4Å; A929-N933 PolarHBondContact O-N 3.09Å; R930-N933 PolarHBondContact O-OD1 3.1Å; R930-N933 VanDerWaalsContact O-OD1 3.12Å |
| 934 | C | 79.1 | Confident | 79.1 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | trans | -117.2 | 170 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | A929 L932 E938 | A929-C934 PolarHBondContact O-N 3.42Å; L932-C934 VanDerWaalsContact C-N 3.26Å; L932-C934 HydrophobicContact CB-CB 4.41Å; L932-C934 PolarHBondContact O-N 2.84Å; C934-E938 HydrophobicContact CB-CB 3.99Å; C934-E938 WeakPolarHBondContact CB-OE2 3.41Å | ||
| 935 | S | 78.3 | Confident | 79.1 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | trans | -65.2 | 155.7 | 174.5 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | E937 E938 A939 | S935-E937 PolarHBondContact O-N 3.1Å; S935-E938 PolarHBondContact O-N 2.95Å; S935-E938 VanDerWaalsContact OG-CG 3.31Å; S935-E938 WeakPolarHBondContact OG-CG 3.35Å; S935-E938 PolarHBondContact OG-N 3.45Å; S935-E938 PolarHBondContact OG-OE1 2.94Å; S935-A939 WeakPolarHBondContact O-CB 3.34Å; S935-A939 PolarHBondContact O-N 3.02Å | ||
| 936 | G | 69.8 | Low | 79.3 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -28.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S940 | G936-S940 WeakPolarHBondContact O-CB 3.28Å; G936-S940 PolarHBondContact O-N 3.33Å; G936-S940 VanDerWaalsContact O-N 3.14Å; G936-S940 PolarHBondContact O-OG 2.97Å |
| 937 | E | 70 | Confident | 79.8 | Confident | 68 Ų | 68 | 38 Ų | 38 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68 | -54.2 | 176.5 | -51.4 | -165.8 | 164.7 | 0 | 0 | 111.2 | S729 N731 S935 A939 S940 E941 | S729-E937 VanDerWaalsContact CB-OE1 3.27Å; S729-E937 WeakPolarHBondContact CB-OE1 3.26Å; S729-E937 WeakPolarHBondContact CB-OE2 3.23Å; S729-E937 WeakPolarHBondContact OG-CG 3.26Å; S729-E937 PolarHBondContact OG-OE1 3.09Å; S729-E937 PolarHBondContact OG-OE2 3.45Å; N731-E937 PolarHBondContact ND2-OE1 2.95Å; N731-E937 WeakPolarHBondContact OD1-CG 3.32Å; S935-E937 PolarHBondContact O-N 3.1Å; E937-A939 VanDerWaalsContact C-N 3.27Å; E937-A939 PolarHBondContact O-N 2.91Å; E937-S940 PolarHBondContact O-N 3.2Å; E937-E941 PolarHBondContact O-N 3.18Å |
| 938 | E | 73.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 37.4 Ų | 37.4 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.9 | -37.4 | 176.4 | -74.8 | 166.1 | -121.9 | 0 | 0 | 112 | C934 S935 S940 S942 R968 | C934-E938 HydrophobicContact CB-CB 3.99Å; C934-E938 WeakPolarHBondContact CB-OE2 3.41Å; S935-E938 PolarHBondContact O-N 2.95Å; S935-E938 VanDerWaalsContact OG-CG 3.31Å; S935-E938 WeakPolarHBondContact OG-CG 3.35Å; S935-E938 PolarHBondContact OG-N 3.45Å; S935-E938 PolarHBondContact OG-OE1 2.94Å; E938-S940 VanDerWaalsContact C-N 3.34Å; E938-S942 VanDerWaalsContact O-CB 3.23Å; E938-S942 WeakPolarHBondContact O-CB 3.37Å; E938-S942 PolarHBondContact O-N 3.22Å; E938-S942 PolarHBondContact O-OG 3.33Å; E938-R968 IonicContact OE2-NH2 3.39Å |
| 939 | A | 77.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L928 A929 S935 E937 S942 L943 | L928-A939 HydrophobicContact CB-CB 4.39Å; A929-A939 HydrophobicContact CB-CB 3.53Å; S935-A939 WeakPolarHBondContact O-CB 3.34Å; S935-A939 PolarHBondContact O-N 3.02Å; E937-A939 VanDerWaalsContact C-N 3.27Å; E937-A939 PolarHBondContact O-N 2.91Å; A939-S942 WeakPolarHBondContact O-CB 3.07Å; A939-S942 PolarHBondContact O-N 3.04Å; A939-L943 WeakPolarHBondContact O-CB 3.4Å; A939-L943 PolarHBondContact O-N 2.85Å |
| 940 | S | 79.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77 | -35.2 | -179.7 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | L730 G936 E937 E938 L943 M944 | L730-S940 WeakPolarHBondContact O-CB 3.41Å; L730-S940 PolarHBondContact O-OG 3.35Å; G936-S940 WeakPolarHBondContact O-CB 3.28Å; G936-S940 PolarHBondContact O-N 3.33Å; G936-S940 VanDerWaalsContact O-N 3.14Å; G936-S940 PolarHBondContact O-OG 2.97Å; E937-S940 PolarHBondContact O-N 3.2Å; E938-S940 VanDerWaalsContact C-N 3.34Å; S940-L943 WeakPolarHBondContact O-CB 3.28Å; S940-L943 PolarHBondContact O-N 3.38Å; S940-M944 WeakPolarHBondContact O-CG 3.35Å; S940-M944 PolarHBondContact O-N 3.47Å |
| 941 | E | 78.5 | Confident | 82 | Confident | 123 Ų | 123 | 35.5 Ų | 35.5 | 58% | 0.575 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.6 | -44.3 | 168.4 | -176.5 | 178.8 | -173.4 | 0 | 0 | 111.2 | E937 L943 M944 N945 | E937-E941 PolarHBondContact O-N 3.18Å; E941-L943 VanDerWaalsContact C-N 3.31Å; E941-L943 PolarHBondContact O-N 3.19Å; E941-M944 PolarHBondContact O-N 2.69Å; E941-N945 PolarHBondContact O-N 3Å; E941-N945 VanDerWaalsContact O-N 3.13Å; E941-N945 PolarHBondContact O-ND2 2.87Å; E941-N945 VanDerWaalsContact O-ND2 3.15Å |
| 942 | S | 80.8 | Confident | 82.6 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | E938 A939 M944 N945 L946 | E938-S942 VanDerWaalsContact O-CB 3.23Å; E938-S942 WeakPolarHBondContact O-CB 3.37Å; E938-S942 PolarHBondContact O-N 3.22Å; E938-S942 PolarHBondContact O-OG 3.33Å; A939-S942 WeakPolarHBondContact O-CB 3.07Å; A939-S942 PolarHBondContact O-N 3.04Å; S942-M944 PolarHBondContact O-N 3.48Å; S942-N945 PolarHBondContact O-N 3.49Å; S942-L946 PolarHBondContact O-N 3.15Å |
| 943 | L | 84.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 175.5 | -175.4 | 69.2 | 0 | 0 | 0 | 111.2 | L732 L890 I921 M924 A925 L928 A939 S940 E941 N945 L946 M951 L954 | L732-L943 HydrophobicContact CD1-CD2 4.36Å; L890-L943 HydrophobicContact CD2-CD2 4.33Å; I921-L943 HydrophobicContact CG2-CD2 4.2Å; M924-L943 HydrophobicContact CB-CD1 3.99Å; M924-L943 HydrophobicContact CB-CD2 4.37Å; M924-L943 HydrophobicContact CE-CD1 4.25Å; A925-L943 HydrophobicContact CB-CD2 4.11Å; L928-L943 HydrophobicContact CD1-CB 3.79Å; L928-L943 HydrophobicContact CD1-CD1 3.58Å; L928-L943 HydrophobicContact CD1-CG 4.28Å; A939-L943 WeakPolarHBondContact O-CB 3.4Å; A939-L943 PolarHBondContact O-N 2.85Å; S940-L943 WeakPolarHBondContact O-CB 3.28Å; S940-L943 PolarHBondContact O-N 3.38Å; E941-L943 VanDerWaalsContact C-N 3.31Å; E941-L943 PolarHBondContact O-N 3.19Å; L943-N945 PolarHBondContact O-N 2.65Å; L943-L946 HydrophobicContact CD1-CD1 4.12Å; L943-L946 PolarHBondContact O-N 3.25Å; L943-M951 HydrophobicContact CD1-CE 3.53Å; L943-M951 HydrophobicContact CG-CE 3.73Å; L943-M951 WeakPolarHBondContact O-CE 3.46Å; L943-L954 HydrophobicContact CD1-CD2 3.84Å |
| 944 | M | 84.8 | Confident | 83.7 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -21.5 | -179.9 | -70.5 | -57.4 | -58.9 | 0 | 0 | 113.7 | L730 G821 R824 L890 S940 E941 S942 | L730-M944 HydrophobicContact CD1-CG 3.87Å; G821-M944 VanDerWaalsContact CA-O 3.24Å; G821-M944 WeakPolarHBondContact CA-O 3.42Å; G821-M944 PolarHBondContact N-O 2.64Å; R824-M944 HydrophobicContact CB-CE 3.88Å; R824-M944 HydrophobicContact CG-CE 4.35Å; R824-M944 PolarHBondContact NH1-O 2.82Å; L890-M944 HydrophobicContact CD2-SD 4Å; S940-M944 WeakPolarHBondContact O-CG 3.35Å; S940-M944 PolarHBondContact O-N 3.47Å; E941-M944 PolarHBondContact O-N 2.69Å; S942-M944 PolarHBondContact O-N 3.48Å |
| 945 | N | 86.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 27.1 Ų | 27.1 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3.1 | 179.3 | -74.5 | -42.1 | 0 | 0 | 0 | 114.2 | G821 E941 S942 L943 | G821-N945 WeakPolarHBondContact CA-OD1 3.31Å; G821-N945 PolarHBondContact N-OD1 3.2Å; E941-N945 PolarHBondContact O-N 3Å; E941-N945 VanDerWaalsContact O-N 3.13Å; E941-N945 PolarHBondContact O-ND2 2.87Å; E941-N945 VanDerWaalsContact O-ND2 3.15Å; S942-N945 PolarHBondContact O-N 3.49Å; L943-N945 PolarHBondContact O-N 2.65Å |
| 946 | L | 88.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -64.4 | 143.4 | 174.9 | -68.7 | -178.9 | 0 | 0 | 0 | 111.5 | R824 L928 S942 L943 D950 M951 L954 I982 | R824-L946 PolarHBondContact NH1-O 3.11Å; R824-L946 PolarHBondContact NH2-O 2.71Å; R824-L946 VanDerWaalsContact NH2-O 3.11Å; L928-L946 HydrophobicContact CD1-CD1 4.28Å; S942-L946 PolarHBondContact O-N 3.15Å; L943-L946 HydrophobicContact CD1-CD1 4.12Å; L943-L946 PolarHBondContact O-N 3.25Å; L946-D950 HydrophobicContact CB-CB 4.34Å; L946-D950 HydrophobicContact CD2-CB 4.24Å; L946-M951 HydrophobicContact CB-CB 4.32Å; L946-M951 HydrophobicContact CB-CE 4.23Å; L946-M951 HydrophobicContact CD1-CE 4.29Å; L946-L954 HydrophobicContact CD1-CD2 4.01Å; L946-I982 HydrophobicContact CD2-CB 3.93Å; L946-I982 HydrophobicContact CD2-CD1 3.97Å; L946-I982 HydrophobicContact CD2-CG1 4.46Å; L946-I982 HydrophobicContact CD2-CG2 4.29Å |
| 947 | S | 91.4 | Very high | 85.5 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | trans | -61.6 | 155.2 | 168.7 | 71.4 | 0 | 0 | 0 | 0 | 110.8 | D535 F949 D950 M951 | D535-S947 WeakPolarHBondContact OD2-CB 3.34Å; S947-F949 PolarHBondContact O-N 3.01Å; S947-D950 PolarHBondContact O-N 3.3Å; S947-D950 WeakPolarHBondContact OG-CB 3.21Å; S947-D950 PolarHBondContact OG-N 3.43Å; S947-D950 PolarHBondContact OG-OD2 3.25Å; S947-M951 WeakPolarHBondContact O-CB 3.49Å; S947-M951 PolarHBondContact O-N 3.05Å | ||
| 948 | P | 92.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -47.1 | -44.2 | 170 | -32 | 37.6 | 0 | 0 | 0 | 113.9 | Y531 L532 D535 M538 W820 Y897 K952 | Y531-P948 HydrophobicContact CD2-CG 4.34Å; Y531-P948 HydrophobicContact CE2-CG 4.31Å; L532-P948 HydrophobicContact CD2-CB 3.74Å; L532-P948 HydrophobicContact CD2-CG 4.06Å; D535-P948 HydrophobicContact CB-CB 4.2Å; D535-P948 HydrophobicContact CB-CG 3.98Å; D535-P948 WeakPolarHBondContact OD2-CD 3.46Å; M538-P948 HydrophobicContact CB-CB 4.23Å; M538-P948 HydrophobicContact CG-CB 4.1Å; W820-P948 HydrophobicContact CE3-CG 4.25Å; W820-P948 HydrophobicContact CZ3-CG 4.11Å; Y897-P948 WeakPolarHBondContact OH-CA 3.4Å; Y897-P948 WeakPolarHBondContact OH-CB 3.33Å; P948-K952 WeakPolarHBondContact O-CB 3.48Å; P948-K952 PolarHBondContact O-N 3.27Å |
| 949 | F | 91.8 | Very high | 86.6 | Confident | 45 Ų | 45 | 20.9 Ų | 20.9 | 20% | 0.197 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -47 | 178.9 | -179 | -103.2 | 0 | 0 | 0 | 112.9 | D535 E537 M538 E541 S947 M951 K952 N953 | D535-F949 WeakPolarHBondContact OD2-CB 3.21Å; D535-F949 PolarHBondContact OD2-N 3.07Å; E537-F949 HydrophobicContact CB-CB 3.9Å; E537-F949 HydrophobicContact CB-CD1 3.83Å; E537-F949 HydrophobicContact CB-CD2 3.81Å; E537-F949 HydrophobicContact CB-CE1 4.27Å; E537-F949 HydrophobicContact CB-CE2 4.27Å; E537-F949 HydrophobicContact CB-CG 3.57Å; E537-F949 HydrophobicContact CB-CZ 4.48Å; E537-F949 HydrophobicContact CG-CD1 4.38Å; M538-F949 HydrophobicContact CB-CB 4.38Å; E541-F949 HydrophobicContact CB-CD2 4.5Å; E541-F949 HydrophobicContact CB-CE2 4.43Å; S947-F949 PolarHBondContact O-N 3.01Å; F949-M951 VanDerWaalsContact C-N 3.31Å; F949-M951 PolarHBondContact O-N 2.64Å; F949-K952 PolarHBondContact O-N 2.95Å; F949-N953 WeakPolarHBondContact CD1-ND2 3.4Å; F949-N953 WeakPolarHBondContact CE1-ND2 3.42Å; F949-N953 VanDerWaalsContact CZ-ND2 3.3Å; F949-N953 WeakPolarHBondContact CZ-ND2 3.15Å; F949-N953 PolarHBondContact O-N 3.31Å; F949-N953 PolarHBondContact O-ND2 2.97Å |
| 950 | D | 90.1 | Very high | 86.9 | Confident | 45 Ų | 45 | 22.3 Ų | 22.3 | 24% | 0.241 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 179.4 | -65.5 | -42.8 | 0 | 0 | 0 | 111.7 | L946 S947 N953 L954 | L946-D950 HydrophobicContact CB-CB 4.34Å; L946-D950 HydrophobicContact CD2-CB 4.24Å; S947-D950 PolarHBondContact O-N 3.3Å; S947-D950 WeakPolarHBondContact OG-CB 3.21Å; S947-D950 PolarHBondContact OG-N 3.43Å; S947-D950 PolarHBondContact OG-OD2 3.25Å; D950-N953 PolarHBondContact O-N 3.25Å; D950-L954 PolarHBondContact O-N 3.47Å |
| 951 | M | 92 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.9 | -176.6 | 153 | -86.6 | 0 | 0 | 112.5 | L890 I894 Y897 M924 L943 L946 S947 F949 N953 L954 L955 | L890-M951 HydrophobicContact CD1-CE 3.68Å; L890-M951 HydrophobicContact CD1-CG 4.47Å; L890-M951 HydrophobicContact CD1-SD 3.07Å; L890-M951 WeakPolarHBondContact CD1-SD 3.19Å; I894-M951 HydrophobicContact CD1-CG 4.18Å; Y897-M951 HydrophobicContact CE2-CB 4.21Å; Y897-M951 HydrophobicContact CE2-CG 3.93Å; M924-M951 HydrophobicContact CE-CG 3.95Å; L943-M951 HydrophobicContact CD1-CE 3.53Å; L943-M951 HydrophobicContact CG-CE 3.73Å; L943-M951 WeakPolarHBondContact O-CE 3.46Å; L946-M951 HydrophobicContact CB-CB 4.32Å; L946-M951 HydrophobicContact CB-CE 4.23Å; L946-M951 HydrophobicContact CD1-CE 4.29Å; S947-M951 WeakPolarHBondContact O-CB 3.49Å; S947-M951 PolarHBondContact O-N 3.05Å; F949-M951 VanDerWaalsContact C-N 3.31Å; F949-M951 PolarHBondContact O-N 2.64Å; M951-N953 VanDerWaalsContact C-N 3.35Å; M951-L954 PolarHBondContact O-N 3.15Å; M951-L955 PolarHBondContact O-N 3.13Å; M951-L955 VanDerWaalsContact O-N 3.13Å |
| 952 | K | 91.7 | Very high | 85.9 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 173 | 172.7 | 177.2 | -179.5 | -142.9 | 0 | 110.9 | M538 E541 Y897 M900 Y901 P948 F949 L955 H956 | M538-K952 HydrophobicContact CE-CD 4.19Å; M538-K952 HydrophobicContact SD-CD 4.04Å; E541-K952 IonicContact OE1-NZ 2.78Å; E541-K952 PolarHBondContact OE1-NZ 2.98Å; Y897-K952 HydrophobicContact CD1-CB 4.18Å; Y897-K952 HydrophobicContact CD1-CD 4.4Å; Y897-K952 HydrophobicContact CD1-CG 4.42Å; Y897-K952 HydrophobicContact CD2-CB 3.97Å; Y897-K952 HydrophobicContact CE1-CB 4.42Å; Y897-K952 HydrophobicContact CE2-CB 4.22Å; Y897-K952 HydrophobicContact CG-CB 3.97Å; Y897-K952 HydrophobicContact CG-CG 4.25Å; M900-K952 HydrophobicContact CE-CD 4.07Å; M900-K952 HydrophobicContact SD-CD 4.39Å; Y901-K952 HydrophobicContact CE2-CG 3.9Å; Y901-K952 WeakPolarHBondContact OH-CE 3.38Å; Y901-K952 WeakPolarHBondContact OH-CG 3.41Å; Y901-K952 PolarHBondContact OH-O 3.13Å; P948-K952 WeakPolarHBondContact O-CB 3.48Å; P948-K952 PolarHBondContact O-N 3.27Å; F949-K952 PolarHBondContact O-N 2.95Å; K952-L955 WeakPolarHBondContact O-CB 3.45Å; K952-L955 PolarHBondContact O-N 3.34Å; K952-H956 PolarHBondContact O-N 3.23Å |
| 953 | N | 89.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 23.4 Ų | 23.4 | 24% | 0.241 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 178 | -71 | -30.1 | 0 | 0 | 0 | 112.9 | F949 D950 M951 L955 H956 H957 | F949-N953 WeakPolarHBondContact CD1-ND2 3.4Å; F949-N953 WeakPolarHBondContact CE1-ND2 3.42Å; F949-N953 VanDerWaalsContact CZ-ND2 3.3Å; F949-N953 WeakPolarHBondContact CZ-ND2 3.15Å; F949-N953 PolarHBondContact O-N 3.31Å; F949-N953 PolarHBondContact O-ND2 2.97Å; D950-N953 PolarHBondContact O-N 3.25Å; M951-N953 VanDerWaalsContact C-N 3.35Å; N953-L955 VanDerWaalsContact C-N 3.26Å; N953-L955 PolarHBondContact O-N 3.31Å; N953-H956 WeakPolarHBondContact O-CB 3.38Å; N953-H956 PolarHBondContact O-N 3.41Å; N953-H956 VanDerWaalsContact O-N 3.14Å; N953-H957 PolarHBondContact O-CD2 3.14Å; N953-H957 PolarHBondContact O-N 3.25Å; N953-H957 VanDerWaalsContact O-N 3.11Å |
| 954 | L | 89.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 174 | -179.4 | 57.8 | 0 | 0 | 0 | 111.3 | M924 L928 L943 L946 D950 M951 H957 I958 F964 I984 | M924-L954 HydrophobicContact CB-CD2 4.09Å; M924-L954 HydrophobicContact CE-CB 4.05Å; M924-L954 HydrophobicContact CE-CD2 3.81Å; M924-L954 HydrophobicContact CE-CG 3.91Å; M924-L954 HydrophobicContact CG-CD2 4.33Å; M924-L954 HydrophobicContact CG-CG 4.35Å; L928-L954 HydrophobicContact CD1-CD2 3.79Å; L928-L954 HydrophobicContact CD2-CD2 4.14Å; L928-L954 HydrophobicContact CG-CD2 3.86Å; L943-L954 HydrophobicContact CD1-CD2 3.84Å; L946-L954 HydrophobicContact CD1-CD2 4.01Å; D950-L954 PolarHBondContact O-N 3.47Å; M951-L954 PolarHBondContact O-N 3.15Å; L954-H957 PolarHBondContact O-N 3.31Å; L954-I958 HydrophobicContact CD1-CD1 4.29Å; L954-I958 HydrophobicContact CG-CD1 4.17Å; L954-I958 WeakPolarHBondContact O-CG1 3.34Å; L954-I958 PolarHBondContact O-N 3.23Å; L954-F964 HydrophobicContact CD1-CE2 3.63Å; L954-F964 HydrophobicContact CD1-CZ 3.81Å; L954-I984 HydrophobicContact CB-CD1 3.78Å; L954-I984 HydrophobicContact CD1-CD1 4.35Å |
| 955 | L | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.5 | 179.1 | 64.5 | 0 | 0 | 0 | 112.2 | I894 L898 Y901 I920 M924 M951 K952 N953 H957 I958 L959 | I894-L955 HydrophobicContact CD1-CD2 4.38Å; I894-L955 HydrophobicContact CG2-CD2 4.22Å; L898-L955 HydrophobicContact CD2-CD1 4.26Å; L898-L955 HydrophobicContact CD2-CD2 3.96Å; L898-L955 HydrophobicContact CD2-CG 4.44Å; L898-L955 HydrophobicContact CG-CD2 4.03Å; Y901-L955 HydrophobicContact CD2-CD2 4.27Å; Y901-L955 HydrophobicContact CE2-CD2 4.22Å; Y901-L955 HydrophobicContact CE2-CG 4.38Å; I920-L955 HydrophobicContact CG2-CD1 3.51Å; M924-L955 HydrophobicContact CE-CB 4.2Å; M924-L955 HydrophobicContact SD-CD1 4.37Å; M951-L955 PolarHBondContact O-N 3.13Å; M951-L955 VanDerWaalsContact O-N 3.13Å; K952-L955 WeakPolarHBondContact O-CB 3.45Å; K952-L955 PolarHBondContact O-N 3.34Å; N953-L955 VanDerWaalsContact C-N 3.26Å; N953-L955 PolarHBondContact O-N 3.31Å; L955-H957 VanDerWaalsContact C-N 3.32Å; L955-H957 PolarHBondContact O-N 3.06Å; L955-I958 PolarHBondContact O-N 2.92Å; L955-L959 HydrophobicContact CD1-CD1 4.14Å; L955-L959 HydrophobicContact CD1-CG 4.18Å; L955-L959 HydrophobicContact CG-CD1 3.97Å; L955-L959 HydrophobicContact CG-CG 4.41Å; L955-L959 WeakPolarHBondContact O-CG 3.05Å; L955-L959 PolarHBondContact O-N 3.11Å |
| 956 | H | 89.2 | Confident | 82.2 | Confident | 40 Ų | 40 | 22.3 Ų | 22.3 | 19% | 0.185 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 175.7 | -175 | -98.8 | 0 | 0 | 0 | 112.6 | Y901 Q905 K952 N953 I958 L959 S960 | Y901-H956 AromaticContact CD1-CD2 3.92Å; Y901-H956 HydrophobicContact CE1-CB 4.04Å; Y901-H956 AromaticContact CE1-CD2 3.46Å; Y901-H956 VanDerWaalsContact CE1-CD2 3.46Å; Y901-H956 WeakPolarHBondContact CE1-CD2 3.21Å; Y901-H956 HydrophobicContact CE2-CB 4.25Å; Y901-H956 AromaticContact CZ-CD2 4Å; Y901-H956 WeakPolarHBondContact OH-CB 3.47Å; Q905-H956 PolarHBondContact OE1-NE2 3.11Å; K952-H956 PolarHBondContact O-N 3.23Å; N953-H956 WeakPolarHBondContact O-CB 3.38Å; N953-H956 PolarHBondContact O-N 3.41Å; N953-H956 VanDerWaalsContact O-N 3.14Å; H956-I958 VanDerWaalsContact C-N 3.3Å; H956-I958 PolarHBondContact O-N 2.93Å; H956-L959 PolarHBondContact O-N 3.01Å; H956-S960 VanDerWaalsContact O-CB 3.3Å; H956-S960 WeakPolarHBondContact O-CB 3.38Å; H956-S960 PolarHBondContact O-N 3.26Å; H956-S960 PolarHBondContact O-OG 3.2Å |
| 957 | H | 83.8 | Confident | 81.1 | Confident | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.111 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | -179.4 | -70.7 | -59.7 | 0 | 0 | 0 | 112.2 | N953 L954 L955 S960 G961 F964 | N953-H957 PolarHBondContact O-CD2 3.14Å; N953-H957 PolarHBondContact O-N 3.25Å; N953-H957 VanDerWaalsContact O-N 3.11Å; L954-H957 PolarHBondContact O-N 3.31Å; L955-H957 VanDerWaalsContact C-N 3.32Å; L955-H957 PolarHBondContact O-N 3.06Å; H957-S960 PolarHBondContact O-OG 3.41Å; H957-S960 VanDerWaalsContact O-OG 3.13Å; H957-G961 PolarHBondContact O-N 3.03Å; H957-F964 HydrophobicContact CB-CB 4.22Å; H957-F964 HydrophobicContact CB-CD1 3.4Å; H957-F964 VanDerWaalsContact CB-CD1 3.4Å; H957-F964 HydrophobicContact CB-CD2 4.28Å; H957-F964 HydrophobicContact CB-CE1 3.63Å; H957-F964 HydrophobicContact CB-CE2 4.49Å; H957-F964 HydrophobicContact CB-CG 3.72Å; H957-F964 HydrophobicContact CB-CZ 4.19Å; H957-F964 AromaticContact CG-CG 3.93Å |
| 958 | I | 83.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.1 | -46.9 | 174.7 | -71.2 | 164 | 0 | 0 | 0 | 111.3 | V923 M924 L954 L955 H956 G961 F964 L1073 | V923-I958 HydrophobicContact CG1-CD1 4.27Å; V923-I958 HydrophobicContact CG1-CG1 4.43Å; V923-I958 HydrophobicContact CG1-CG2 3.89Å; M924-I958 HydrophobicContact CB-CD1 3.96Å; M924-I958 HydrophobicContact CG-CD1 3.17Å; L954-I958 HydrophobicContact CD1-CD1 4.29Å; L954-I958 HydrophobicContact CG-CD1 4.17Å; L954-I958 WeakPolarHBondContact O-CG1 3.34Å; L954-I958 PolarHBondContact O-N 3.23Å; L955-I958 PolarHBondContact O-N 2.92Å; H956-I958 VanDerWaalsContact C-N 3.3Å; H956-I958 PolarHBondContact O-N 2.93Å; I958-G961 PolarHBondContact O-N 3.05Å; I958-F964 HydrophobicContact CG1-CZ 4.41Å; I958-L1073 HydrophobicContact CG2-CD2 4.23Å |
| 959 | L | 84.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | -180 | -66.1 | 173.5 | 0 | 0 | 0 | 112.2 | L898 Y901 F909 M912 L955 H956 G961 R1079 | L898-L959 HydrophobicContact CD2-CD1 3.7Å; L898-L959 HydrophobicContact CD2-CD2 4.41Å; Y901-L959 HydrophobicContact CD2-CD1 4.32Å; F909-L959 HydrophobicContact CE1-CD1 4.3Å; F909-L959 HydrophobicContact CZ-CD1 3.99Å; M912-L959 HydrophobicContact CE-CD2 4.28Å; L955-L959 HydrophobicContact CD1-CD1 4.14Å; L955-L959 HydrophobicContact CD1-CG 4.18Å; L955-L959 HydrophobicContact CG-CD1 3.97Å; L955-L959 HydrophobicContact CG-CG 4.41Å; L955-L959 WeakPolarHBondContact O-CG 3.05Å; L955-L959 PolarHBondContact O-N 3.11Å; H956-L959 PolarHBondContact O-N 3.01Å; L959-G961 PolarHBondContact O-N 3.38Å; L959-R1079 PolarHBondContact O-NH2 3.43Å |
| 960 | S | 81.6 | Confident | 75.3 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.5 | -21 | 179.2 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | H956 H957 K962 | H956-S960 VanDerWaalsContact O-CB 3.3Å; H956-S960 WeakPolarHBondContact O-CB 3.38Å; H956-S960 PolarHBondContact O-N 3.26Å; H956-S960 PolarHBondContact O-OG 3.2Å; H957-S960 PolarHBondContact O-OG 3.41Å; H957-S960 VanDerWaalsContact O-OG 3.13Å; S960-K962 PolarHBondContact O-N 2.77Å |
| 961 | G | 68.8 | Low | 72.7 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 15.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | H957 I958 L959 R1070 | H957-G961 PolarHBondContact O-N 3.03Å; I958-G961 PolarHBondContact O-N 3.05Å; L959-G961 PolarHBondContact O-N 3.38Å; G961-R1070 PolarHBondContact O-NH1 2.89Å; G961-R1070 VanDerWaalsContact O-NH1 3.08Å |
| 962 | K | 68.5 | Low | 69.7 | Low | 91 Ų | 91 | 49.5 Ų | 49.5 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | trans | -78.3 | 154.7 | 173.1 | -71.1 | -179.1 | 168 | -170.8 | 0 | 110.4 | S960 E986 | S960-K962 PolarHBondContact O-N 2.77Å; K962-E986 WeakPolarHBondContact CD-OE1 3.46Å; K962-E986 IonicContact NZ-OE1 3.93Å; K962-E986 PolarHBondContact NZ-OE1 2.84Å | ||
| 963 | E | 65.3 | Low | 66.8 | Low | 64 Ų | 64 | 57.3 Ų | 57.3 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | trans | -74.7 | 139.1 | 172.9 | -66.4 | -177.5 | 165.3 | 0 | 0 | 110.3 | V987 T990 Q1066 | E963-V987 PolarHBondContact O-N 3.4Å; E963-T990 PolarHBondContact OE2-OG1 2.89Å; E963-Q1066 PolarHBondContact OE1-NE2 3.46Å | ||
| 964 | F | 67.4 | Low | 64 | Low | 11 Ų | 11 | 64 Ų | 64 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148.9 | 179.9 | 63.9 | -85.1 | 0 | 0 | 0 | 109.5 | E927 L954 H957 I958 V966 I984 H985 | E927-F964 HydrophobicContact CB-CZ 4.27Å; L954-F964 HydrophobicContact CD1-CE2 3.63Å; L954-F964 HydrophobicContact CD1-CZ 3.81Å; H957-F964 HydrophobicContact CB-CB 4.22Å; H957-F964 HydrophobicContact CB-CD1 3.4Å; H957-F964 VanDerWaalsContact CB-CD1 3.4Å; H957-F964 HydrophobicContact CB-CD2 4.28Å; H957-F964 HydrophobicContact CB-CE1 3.63Å; H957-F964 HydrophobicContact CB-CE2 4.49Å; H957-F964 HydrophobicContact CB-CG 3.72Å; H957-F964 HydrophobicContact CB-CZ 4.19Å; H957-F964 AromaticContact CG-CG 3.93Å; I958-F964 HydrophobicContact CG1-CZ 4.41Å; F964-V966 HydrophobicContact CD2-CG2 3.9Å; F964-V966 HydrophobicContact CE2-CG2 3.84Å; F964-I984 HydrophobicContact CD2-CG2 3.99Å; F964-H985 WeakPolarHBondContact CA-O 3.4Å |
| 965 | G | 59.8 | Low | 61.2 | Low | 26 Ų | 26 | 66.7 Ų | 66.7 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 146.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | H985 | G965-H985 PolarHBondContact N-O 3.04Å; G965-H985 PolarHBondContact O-N 2.97Å |
| 966 | V | 67.4 | Low | 58.5 | Low | 10 Ų | 10 | 73.1 Ų | 73.1 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.5 | 174.5 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | L928 L932 F964 I982 S983 I984 | L928-V966 HydrophobicContact CD2-CG1 4.03Å; L928-V966 HydrophobicContact CD2-CG2 4.4Å; L932-V966 HydrophobicContact CD2-CG1 3.87Å; L932-V966 HydrophobicContact CG-CG1 4.23Å; F964-V966 HydrophobicContact CD2-CG2 3.9Å; F964-V966 HydrophobicContact CE2-CG2 3.84Å; V966-I982 HydrophobicContact CG1-CG2 3.23Å; V966-S983 WeakPolarHBondContact CA-O 3.39Å; V966-I984 HydrophobicContact CG1-CG1 4.48Å; V966-I984 HydrophobicContact CG2-CG1 4.4Å |
| 967 | E | 64.9 | Low | 56.1 | Low | 128 Ų | 128 | 73.6 Ų | 73.6 | 60% | 0.598 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.7 | 180 | -67 | -176.7 | -179.2 | 0 | 0 | 111 | S969 S983 | E967-S969 PolarHBondContact O-N 3.31Å; E967-S983 PolarHBondContact N-O 3.37Å; E967-S983 PolarHBondContact O-N 3.14Å |
| 968 | R | 62.8 | Low | 53.8 | Low | 125 Ų | 125 | 78.3 Ų | 78.3 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 113.2 | 168.5 | -69.8 | -173.8 | 174.9 | 169.5 | -1 | 108.1 | L932 E938 | L932-R968 HydrophobicContact CD2-CG 3.93Å; E938-R968 IonicContact OE2-NH2 3.39Å |
| 969 | S | 51 | Low | 51.6 | Low | 51 Ų | 51 | 80.8 Ų | 80.8 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128.2 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | E967 R971 A981 | E967-S969 PolarHBondContact O-N 3.31Å; S969-R971 PolarHBondContact O-N 3.26Å; S969-A981 WeakPolarHBondContact CA-O 3.4Å; S969-A981 VanDerWaalsContact CB-O 3.23Å; S969-A981 WeakPolarHBondContact CB-O 3.41Å; S969-A981 PolarHBondContact N-O 3.21Å |
| 970 | V | 39.3 | Very low | 49.7 | Very low | 140 Ų | 140 | 84.4 Ų | 84.4 | 85% | 0.848 | 47% | 0.474 | S | S | * | . | trans | -85.1 | 104.2 | 172.3 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 971 | R | 35.7 | Very low | 48.4 | Very low | 130 Ų | 130 | 84.1 Ų | 84.1 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | trans | -75.7 | 150.5 | 170.6 | -74.8 | -173.3 | 178.3 | 175.2 | 1 | 110.8 | S969 A981 | S969-R971 PolarHBondContact O-N 3.26Å; R971-A981 HydrophobicContact CG-CB 4.44Å | ||
| 972 | P | 30.1 | Very low | 48.1 | Very low | 108 Ų | 108 | 84.5 Ų | 84.5 | 70% | 0.701 | 47% | 0.473 | S | S | * | . | trans | -64 | 149.3 | 169.4 | -0.6 | 11.3 | 0 | 0 | 0 | 111.1 | H974 | P972-H974 PolarHBondContact O-N 3.41Š| ||
| 973 | I | 30.6 | Very low | 47.9 | Very low | 166 Ų | 166 | 81.6 Ų | 81.6 | 85% | 0.851 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 5.2 | -165.4 | -64.8 | 161 | 0 | 0 | 0 | 116.1 | ||
| 974 | H | 29.3 | Very low | 48 | Very low | 186 Ų | 186 | 79.7 Ų | 79.7 | 86% | 0.861 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 11.7 | -172.6 | -65.3 | -58.8 | 0 | 0 | 0 | 116.3 | P972 | P972-H974 PolarHBondContact O-N 3.41Š|
| 975 | S | 31 | Very low | 47.6 | Very low | 56 Ų | 56 | 84.1 Ų | 84.1 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | trans | -96.2 | 125.1 | 171.7 | 61 | 0 | 0 | 0 | 0 | 111.8 | T977 | S975-T977 PolarHBondContact O-N 3.31Š| ||
| 976 | S | 34 | Very low | 47.2 | Very low | 134 Ų | 134 | 88.1 Ų | 88.1 | 94% | 0.937 | 49% | 0.488 | S | S | * | . | trans | -74 | 6.9 | -180 | 53.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 977 | T | 38.5 | Very low | 46.3 | Very low | 51 Ų | 51 | 91.1 Ų | 91.1 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | trans | -85.1 | 125.9 | 175.3 | 38.2 | 0 | 0 | 0 | 0 | 111 | S975 S979 | S975-T977 PolarHBondContact O-N 3.31Å; T977-S979 VanDerWaalsContact C-N 3.33Å; T977-S979 PolarHBondContact O-N 3.07Å | ||
| 978 | S | 35.8 | Very low | 45 | Very low | 123 Ų | 123 | 87.7 Ų | 87.7 | 86% | 0.86 | 51% | 0.505 | S | S | * | . | trans | -78.2 | -1.1 | -173.7 | 48.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 979 | S | 38.8 | Very low | 43.6 | Very low | 53 Ų | 53 | 89.7 Ų | 89.7 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -112.4 | 136.5 | -176.2 | -48.7 | 0 | 0 | 0 | 0 | 113 | T977 A981 | T977-S979 VanDerWaalsContact C-N 3.33Å; T977-S979 PolarHBondContact O-N 3.07Å; S979-A981 PolarHBondContact O-N 3.47Å |
| 980 | P | 42.7 | Very low | 42.9 | Very low | 77 Ų | 77 | 91.3 Ų | 91.3 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 132.7 | 176.3 | 26.8 | -32.2 | 0 | 0 | 0 | 110.6 | ||
| 981 | A | 54.2 | Low | 42.8 | Very low | 24 Ų | 24 | 88.3 Ų | 88.3 | 20% | 0.198 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S969 R971 S979 | S969-A981 WeakPolarHBondContact CA-O 3.4Å; S969-A981 VanDerWaalsContact CB-O 3.23Å; S969-A981 WeakPolarHBondContact CB-O 3.41Å; S969-A981 PolarHBondContact N-O 3.21Å; R971-A981 HydrophobicContact CG-CB 4.44Å; S979-A981 PolarHBondContact O-N 3.47Å |
| 982 | I | 63.3 | Low | 43 | Very low | 21 Ų | 21 | 85.1 Ų | 85.1 | 11% | 0.108 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.7 | 179.1 | -64.4 | 172.1 | 0 | 0 | 0 | 107.8 | L932 L946 V966 | L932-I982 HydrophobicContact CD1-CD1 4.07Å; L946-I982 HydrophobicContact CD2-CB 3.93Å; L946-I982 HydrophobicContact CD2-CD1 3.97Å; L946-I982 HydrophobicContact CD2-CG1 4.46Å; L946-I982 HydrophobicContact CD2-CG2 4.29Å; V966-I982 HydrophobicContact CG1-CG2 3.23Å |
| 983 | S | 64.1 | Low | 43.3 | Very low | 29 Ų | 29 | 87 Ų | 87 | 20% | 0.203 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.3 | 173.2 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | V966 E967 H985 | V966-S983 WeakPolarHBondContact CA-O 3.39Å; E967-S983 PolarHBondContact N-O 3.37Å; E967-S983 PolarHBondContact O-N 3.14Å; S983-H985 WeakPolarHBondContact CB-NE2 3.03Å; S983-H985 PolarHBondContact OG-NE2 2.75Å |
| 984 | I | 66.8 | Low | 43.4 | Very low | 25 Ų | 25 | 88.4 Ų | 88.4 | 13% | 0.128 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.2 | -179.8 | -55.2 | 172.1 | 0 | 0 | 0 | 108.3 | L954 F964 V966 | L954-I984 HydrophobicContact CB-CD1 3.78Å; L954-I984 HydrophobicContact CD1-CD1 4.35Å; F964-I984 HydrophobicContact CD2-CG2 3.99Å; V966-I984 HydrophobicContact CG1-CG1 4.48Å; V966-I984 HydrophobicContact CG2-CG1 4.4Å |
| 985 | H | 60.2 | Low | 43.8 | Very low | 104 Ų | 104 | 82.8 Ų | 82.8 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.7 | -177.8 | -59.9 | -58 | 0 | 0 | 0 | 112 | F964 G965 S983 | F964-H985 WeakPolarHBondContact CA-O 3.4Å; G965-H985 PolarHBondContact N-O 3.04Å; G965-H985 PolarHBondContact O-N 2.97Å; S983-H985 WeakPolarHBondContact CB-NE2 3.03Å; S983-H985 PolarHBondContact OG-NE2 2.75Å |
| 986 | E | 50.4 | Low | 44.3 | Very low | 109 Ų | 109 | 87.1 Ų | 87.1 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.3 | 175.1 | -170 | 175.4 | -169.5 | 0 | 0 | 110.1 | K962 | K962-E986 WeakPolarHBondContact CD-OE1 3.46Å; K962-E986 IonicContact NZ-OE1 3.93Å; K962-E986 PolarHBondContact NZ-OE1 2.84Å |
| 987 | V | 48.8 | Very low | 44.5 | Very low | 74 Ų | 74 | 91.2 Ų | 91.2 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 132.9 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | E963 | E963-V987 PolarHBondContact O-N 3.4Š|
| 988 | G | 37.8 | Very low | 44.5 | Very low | 55 Ų | 55 | 93 Ų | 93 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 160.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | T990 | G988-T990 PolarHBondContact O-N 3.02Š|
| 989 | H | 33.8 | Very low | 45 | Very low | 168 Ų | 168 | 88.3 Ų | 88.3 | 78% | 0.778 | 50% | 0.502 | S | S | * | . | trans | -61.8 | 102.2 | -169.6 | -67.9 | 47.7 | 0 | 0 | 0 | 113.4 | G991 | H989-G991 PolarHBondContact O-N 3.46Š| ||
| 990 | T | 34.8 | Very low | 45.3 | Very low | 85 Ų | 85 | 88.8 Ų | 88.8 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | trans | -84.3 | 102.4 | 159.8 | 51 | 0 | 0 | 0 | 0 | 107.7 | E963 G988 V992 | E963-T990 PolarHBondContact OE2-OG1 2.89Å; G988-T990 PolarHBondContact O-N 3.02Å; T990-V992 PolarHBondContact O-N 3.25Å | ||
| 991 | G | 37.3 | Very low | 45.6 | Very low | 77 Ų | 77 | 89.9 Ų | 89.9 | 79% | 0.794 | 50% | 0.501 | S | S | * | . | trans | -63.2 | 117.3 | -164 | 0 | 0 | 0 | 0 | 0 | 115.4 | H989 | H989-G991 PolarHBondContact O-N 3.46Š| ||
| 992 | V | 40.5 | Very low | 45.4 | Very low | 62 Ų | 62 | 97 Ų | 97 | 38% | 0.376 | 52% | 0.523 | S | S | . | . | trans | -137 | -12.4 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 114.2 | T990 K994 T995 W1067 | T990-V992 PolarHBondContact O-N 3.25Å; V992-K994 PolarHBondContact O-N 3.25Å; V992-T995 PolarHBondContact O-N 3.49Å; V992-T995 PolarHBondContact O-OG1 2.9Å; V992-W1067 HydrophobicContact CG1-CH2 3.93Å; V992-W1067 HydrophobicContact CG1-CZ2 4.34Å | ||
| 993 | T | 35.8 | Very low | 44.9 | Very low | 147 Ų | 147 | 96.9 Ų | 96.9 | 90% | 0.902 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -5.2 | -174.7 | 53.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 994 | K | 33.6 | Very low | 44.3 | Very low | 196 Ų | 196 | 100.4 Ų | 100.4 | 85% | 0.852 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -11.9 | 179.3 | -86.2 | -178 | 176.2 | 175.1 | 0 | 115.2 | V992 | V992-K994 PolarHBondContact O-N 3.25Š|
| 995 | T | 38.6 | Very low | 43.7 | Very low | 68 Ų | 68 | 102.3 Ų | 102.3 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -84.4 | -21 | -168.1 | 42.1 | 0 | 0 | 0 | 0 | 115.3 | V992 R997 S998 G999 | V992-T995 PolarHBondContact O-N 3.49Å; V992-T995 PolarHBondContact O-OG1 2.9Å; T995-R997 PolarHBondContact O-N 2.77Å; T995-S998 PolarHBondContact O-N 3.28Å; T995-G999 PolarHBondContact O-N 2.93Å |
| 996 | E | 40.5 | Very low | 43.4 | Very low | 148 Ų | 148 | 101.4 Ų | 101.4 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -33.5 | -177 | -69.9 | -176.8 | 164.7 | 0 | 0 | 113.9 | ||
| 997 | R | 37.7 | Very low | 43.5 | Very low | 219 Ų | 219 | 97.5 Ų | 97.5 | 83% | 0.826 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.7 | -24.7 | 179.6 | -77.8 | -177.3 | 178.5 | 172.6 | 0.2 | 114 | T995 N1001 | T995-R997 PolarHBondContact O-N 2.77Å; R997-N1001 PolarHBondContact O-ND2 2.64Å |
| 998 | S | 39.3 | Very low | 43.6 | Very low | 90 Ų | 90 | 99.7 Ų | 99.7 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -87.9 | -33.6 | -175.1 | -156.3 | 0 | 0 | 0 | 0 | 112.8 | T995 R1002 | T995-S998 PolarHBondContact O-N 3.28Å; S998-R1002 PolarHBondContact O-N 3.42Å |
| 999 | G | 46.5 | Very low | 44.2 | Very low | 23 Ų | 23 | 102.9 Ų | 102.9 | 24% | 0.237 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -69.2 | -45.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T995 N1001 R1002 L1003 | T995-G999 PolarHBondContact O-N 2.93Å; G999-N1001 PolarHBondContact O-N 3.03Å; G999-R1002 PolarHBondContact O-N 2.53Å; G999-L1003 PolarHBondContact O-N 2.85Å |
| 1000 | I | 45.5 | Very low | 44.7 | Very low | 63 Ų | 63 | 99.3 Ų | 99.3 | 32% | 0.323 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | -178.1 | -64.5 | 174 | 0 | 0 | 0 | 111.7 | L1003 R1004 M1145 | I1000-L1003 PolarHBondContact O-N 3.39Å; I1000-R1004 WeakPolarHBondContact O-CB 3.42Å; I1000-R1004 PolarHBondContact O-N 3.43Å; I1000-M1145 HydrophobicContact CD1-CE 4.06Å |
| 1001 | N | 48.6 | Very low | 45 | Very low | 101 Ų | 101 | 97.8 Ų | 97.8 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 178 | -76.7 | -28 | 0 | 0 | 0 | 112.6 | R997 G999 S1005 | R997-N1001 PolarHBondContact O-ND2 2.64Å; G999-N1001 PolarHBondContact O-N 3.03Å; N1001-S1005 PolarHBondContact O-N 3.36Å |
| 1002 | R | 49.8 | Very low | 45.2 | Very low | 173 Ų | 173 | 102.9 Ų | 102.9 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.3 | -47.1 | 173.7 | -175.4 | 177.8 | 171.3 | 172.1 | 2 | 111.1 | S998 G999 R1004 S1005 E1006 | S998-R1002 PolarHBondContact O-N 3.42Å; G999-R1002 PolarHBondContact O-N 2.53Å; R1002-R1004 VanDerWaalsContact C-N 3.33Å; R1002-R1004 PolarHBondContact O-N 3.19Å; R1002-S1005 WeakPolarHBondContact O-CB 3.46Å; R1002-S1005 PolarHBondContact O-N 2.83Å; R1002-S1005 PolarHBondContact O-OG 3.38Å; R1002-E1006 IonicContact CZ-OE1 3.02Å; R1002-E1006 IonicContact NE-OE1 2.74Å; R1002-E1006 PolarHBondContact NE-OE1 2.91Å; R1002-E1006 VanDerWaalsContact NE-OE1 3.12Å; R1002-E1006 IonicContact NH2-OE1 3.71Å; R1002-E1006 PolarHBondContact O-N 2.97Å |
| 1003 | L | 53.1 | Low | 45.2 | Very low | 18 Ų | 18 | 108.3 Ų | 108.3 | 9% | 0.094 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -56.4 | -43.2 | 173.3 | -104.2 | 154.2 | 0 | 0 | 0 | 112.7 | G999 I1000 S1005 E1006 M1007 M1212 T1216 | G999-L1003 PolarHBondContact O-N 2.85Å; I1000-L1003 PolarHBondContact O-N 3.39Å; L1003-S1005 VanDerWaalsContact C-N 3.27Å; L1003-S1005 PolarHBondContact O-N 2.89Å; L1003-E1006 PolarHBondContact O-N 3.12Å; L1003-M1007 PolarHBondContact O-N 3.08Å; L1003-M1212 HydrophobicContact CD1-CB 3.81Å; L1003-T1216 HydrophobicContact CD2-CG2 3.83Å; L1003-T1216 WeakPolarHBondContact CD2-OG1 3.25Å |
| 1004 | R | 51.5 | Low | 45.3 | Very low | 104 Ų | 104 | 107 Ų | 107 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 175.7 | -165.9 | 178.4 | -166.4 | -172.6 | 6.2 | 112.3 | I1000 R1002 K1008 D1152 | I1000-R1004 WeakPolarHBondContact O-CB 3.42Å; I1000-R1004 PolarHBondContact O-N 3.43Å; R1002-R1004 VanDerWaalsContact C-N 3.33Å; R1002-R1004 PolarHBondContact O-N 3.19Å; R1004-K1008 WeakPolarHBondContact O-CB 3.41Å; R1004-K1008 VanDerWaalsContact O-CG 3.3Å; R1004-K1008 WeakPolarHBondContact O-CG 3.38Å; R1004-K1008 PolarHBondContact O-N 3.37Å; R1004-K1008 VanDerWaalsContact O-N 3.15Å; R1004-D1152 IonicContact CZ-OD2 3.35Å; R1004-D1152 IonicContact NE-OD2 3.96Å; R1004-D1152 IonicContact NH2-OD2 3.14Å; R1004-D1152 PolarHBondContact NH2-OD2 2.99Å |
| 1005 | S | 54.6 | Low | 45.5 | Very low | 64 Ų | 64 | 102.8 Ų | 102.8 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 176.7 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | N1001 R1002 L1003 Q1009 | N1001-S1005 PolarHBondContact O-N 3.36Å; R1002-S1005 WeakPolarHBondContact O-CB 3.46Å; R1002-S1005 PolarHBondContact O-N 2.83Å; R1002-S1005 PolarHBondContact O-OG 3.38Å; L1003-S1005 VanDerWaalsContact C-N 3.27Å; L1003-S1005 PolarHBondContact O-N 2.89Å; S1005-Q1009 PolarHBondContact O-N 3.05Å; S1005-Q1009 VanDerWaalsContact O-N 3.09Å |
| 1006 | E | 53.1 | Low | 45.2 | Very low | 85 Ų | 85 | 102.8 Ų | 102.8 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 177.7 | -70.4 | 171.9 | -173.9 | 0 | 0 | 111.2 | R1002 L1003 Q1009 M1010 | R1002-E1006 IonicContact CZ-OE1 3.02Å; R1002-E1006 IonicContact NE-OE1 2.74Å; R1002-E1006 PolarHBondContact NE-OE1 2.91Å; R1002-E1006 VanDerWaalsContact NE-OE1 3.12Å; R1002-E1006 IonicContact NH2-OE1 3.71Å; R1002-E1006 PolarHBondContact O-N 2.97Å; L1003-E1006 PolarHBondContact O-N 3.12Å; E1006-Q1009 WeakPolarHBondContact O-CB 3.31Å; E1006-Q1009 PolarHBondContact O-N 3.32Å; E1006-M1010 PolarHBondContact O-N 3.32Å |
| 1007 | M | 52.8 | Low | 44.8 | Very low | 28 Ų | 28 | 103 Ų | 103 | 14% | 0.138 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.1 | -73.6 | -176.3 | 75.1 | 0 | 0 | 112.4 | L1003 Q1009 M1010 T1011 L1149 L1150 T1216 | L1003-M1007 PolarHBondContact O-N 3.08Å; M1007-Q1009 VanDerWaalsContact C-N 3.27Å; M1007-Q1009 PolarHBondContact O-N 3.3Å; M1007-M1010 WeakPolarHBondContact O-CB 3.17Å; M1007-M1010 PolarHBondContact O-N 3.27Å; M1007-M1010 VanDerWaalsContact O-N 3.1Å; M1007-T1011 PolarHBondContact O-N 3.08Å; M1007-T1011 PolarHBondContact O-OG1 3.06Å; M1007-L1149 HydrophobicContact CE-CB 4.01Å; M1007-L1149 HydrophobicContact SD-CB 3.85Å; M1007-L1149 HydrophobicContact SD-CD1 3.5Å; M1007-L1149 WeakPolarHBondContact SD-CD1 3.23Å; M1007-L1149 HydrophobicContact SD-CG 4.32Å; M1007-L1150 HydrophobicContact CE-CD2 3.83Å; M1007-L1150 HydrophobicContact CE-CG 4.43Å; M1007-T1216 HydrophobicContact CG-CG2 3.91Å; M1007-T1216 HydrophobicContact SD-CG2 4.1Å |
| 1008 | K | 51 | Low | 44.7 | Very low | 120 Ų | 120 | 101.1 Ų | 101.1 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -35.3 | 174.2 | -79.9 | -178.9 | 177.9 | -172.2 | 0 | 112.5 | R1004 R1012 | R1004-K1008 WeakPolarHBondContact O-CB 3.41Å; R1004-K1008 VanDerWaalsContact O-CG 3.3Å; R1004-K1008 WeakPolarHBondContact O-CG 3.38Å; R1004-K1008 PolarHBondContact O-N 3.37Å; R1004-K1008 VanDerWaalsContact O-N 3.15Å; K1008-R1012 WeakPolarHBondContact O-CG 3.36Å; K1008-R1012 PolarHBondContact O-N 3.06Å |
| 1009 | Q | 50.3 | Low | 44.2 | Very low | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.1 | -38.6 | 172.7 | -87.1 | -178 | -15.6 | 0 | 0 | 112.1 | S1005 E1006 M1007 R1012 R1013 | S1005-Q1009 PolarHBondContact O-N 3.05Å; S1005-Q1009 VanDerWaalsContact O-N 3.09Å; E1006-Q1009 WeakPolarHBondContact O-CB 3.31Å; E1006-Q1009 PolarHBondContact O-N 3.32Å; M1007-Q1009 VanDerWaalsContact C-N 3.27Å; M1007-Q1009 PolarHBondContact O-N 3.3Å; Q1009-R1012 PolarHBondContact O-N 3.26Å; Q1009-R1013 PolarHBondContact O-N 3Å; Q1009-R1013 VanDerWaalsContact O-N 3.09Å |
| 1010 | M | 43.4 | Very low | 43.4 | Very low | 93 Ų | 93 | 112.5 Ų | 112.5 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.5 | -155.3 | 91.1 | -173.3 | 0 | 0 | 111.4 | E1006 M1007 R1012 R1013 F1014 | E1006-M1010 PolarHBondContact O-N 3.32Å; M1007-M1010 WeakPolarHBondContact O-CB 3.17Å; M1007-M1010 PolarHBondContact O-N 3.27Å; M1007-M1010 VanDerWaalsContact O-N 3.1Å; M1010-R1012 VanDerWaalsContact C-N 3.31Å; M1010-R1012 PolarHBondContact O-N 3.29Å; M1010-R1013 WeakPolarHBondContact O-CB 3.46Å; M1010-R1013 PolarHBondContact O-N 2.91Å; M1010-R1013 VanDerWaalsContact O-N 3.1Å; M1010-F1014 HydrophobicContact CE-CE2 4.23Å; M1010-F1014 HydrophobicContact CE-CZ 4.21Å; M1010-F1014 HydrophobicContact CG-CD2 4.28Å; M1010-F1014 HydrophobicContact CG-CE2 3.63Å; M1010-F1014 HydrophobicContact CG-CZ 4.49Å; M1010-F1014 WeakPolarHBondContact O-CD2 3.47Å; M1010-F1014 PolarHBondContact O-N 3.46Å; M1010-F1014 VanDerWaalsContact O-N 3.16Å |
| 1011 | T | 41.2 | Very low | 42.4 | Very low | 53 Ų | 53 | 119.5 Ų | 119.5 | 33% | 0.325 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.3 | -36.4 | 176.8 | -43.2 | 0 | 0 | 0 | 0 | 112.2 | M1007 F1014 S1015 | M1007-T1011 PolarHBondContact O-N 3.08Å; M1007-T1011 PolarHBondContact O-OG1 3.06Å; T1011-F1014 PolarHBondContact O-N 2.9Å; T1011-S1015 PolarHBondContact O-N 3.28Å |
| 1012 | R | 41.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 69% | 0.694 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.9 | -32.3 | 173.4 | -76.8 | -178.1 | -168.3 | 177.7 | 2.5 | 113.4 | K1008 Q1009 M1010 F1014 S1015 A1016 | K1008-R1012 WeakPolarHBondContact O-CG 3.36Å; K1008-R1012 PolarHBondContact O-N 3.06Å; Q1009-R1012 PolarHBondContact O-N 3.26Å; M1010-R1012 VanDerWaalsContact C-N 3.31Å; M1010-R1012 PolarHBondContact O-N 3.29Å; R1012-F1014 VanDerWaalsContact C-N 3.33Å; R1012-S1015 PolarHBondContact O-N 3.46Å; R1012-A1016 WeakPolarHBondContact O-CB 3.45Å; R1012-A1016 PolarHBondContact O-N 3.41Å |
| 1013 | R | 41 | Very low | 40.3 | Very low | 175 Ų | 175 | 118.8 Ų | 118.8 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 173.3 | -76.6 | 179.6 | 177.2 | 169.7 | -0.5 | 111.6 | Q1009 M1010 S1015 A1016 | Q1009-R1013 PolarHBondContact O-N 3Å; Q1009-R1013 VanDerWaalsContact O-N 3.09Å; M1010-R1013 WeakPolarHBondContact O-CB 3.46Å; M1010-R1013 PolarHBondContact O-N 2.91Å; M1010-R1013 VanDerWaalsContact O-N 3.1Å; R1013-S1015 VanDerWaalsContact C-N 3.3Å; R1013-S1015 PolarHBondContact O-N 3.26Å; R1013-A1016 PolarHBondContact O-N 3.23Å |
| 1014 | F | 37.8 | Very low | 39.1 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 53% | 0.526 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.9 | -19.7 | 174.8 | -69.5 | -65.9 | 0 | 0 | 0 | 114.4 | M1010 T1011 R1012 | M1010-F1014 HydrophobicContact CE-CE2 4.23Å; M1010-F1014 HydrophobicContact CE-CZ 4.21Å; M1010-F1014 HydrophobicContact CG-CD2 4.28Å; M1010-F1014 HydrophobicContact CG-CE2 3.63Å; M1010-F1014 HydrophobicContact CG-CZ 4.49Å; M1010-F1014 WeakPolarHBondContact O-CD2 3.47Å; M1010-F1014 PolarHBondContact O-N 3.46Å; M1010-F1014 VanDerWaalsContact O-N 3.16Å; T1011-F1014 PolarHBondContact O-N 2.9Å; R1012-F1014 VanDerWaalsContact C-N 3.33Å |
| 1015 | S | 36.4 | Very low | 37.8 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -7.1 | 172.4 | -69.2 | 0 | 0 | 0 | 0 | 114.5 | T1011 R1012 R1013 | T1011-S1015 PolarHBondContact O-N 3.28Å; R1012-S1015 PolarHBondContact O-N 3.46Å; R1013-S1015 VanDerWaalsContact C-N 3.3Å; R1013-S1015 PolarHBondContact O-N 3.26Å |
| 1016 | A | 33.8 | Very low | 36.5 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 55% | 0.554 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.3 | -0.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1012 R1013 E1018 | R1012-A1016 WeakPolarHBondContact O-CB 3.45Å; R1012-A1016 PolarHBondContact O-N 3.41Å; R1013-A1016 PolarHBondContact O-N 3.23Å; A1016-E1018 PolarHBondContact O-N 2.68Å |
| 1017 | D | 31.3 | Very low | 35.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | -88.7 | 38.2 | 179 | -88.7 | -12.9 | 0 | 0 | 0 | 113.5 | ||||
| 1018 | E | 35.1 | Very low | 33.8 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.8 | 64.3 | 160.3 | -80.1 | -163.7 | 158.2 | 0 | 0 | 109.6 | A1016 | A1016-E1018 PolarHBondContact O-N 2.68Š|
| 1019 | Q | 29.1 | Very low | 32.5 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -175.9 | 126.7 | 151.6 | -107.2 | 160.1 | 35 | 0 | 0 | 114.5 | ||
| 1020 | F | 29.1 | Very low | 31.3 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | 84.4 | 97.4 | 157.6 | -68.1 | -74.1 | 0 | 0 | 0 | 121 | ||||
| 1021 | F | 26.3 | Very low | 30.4 | Very low | 209 Ų | 209 | 131.2 Ų | 131.2 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -60.3 | 129.2 | 133.8 | -84 | -95.8 | 0 | 0 | 0 | 110.8 | ||||
| 1022 | S | 25.9 | Very low | 29.6 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -172.3 | 143.2 | 126 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1023 | V | 28.1 | Very low | 28.8 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -80.1 | 144.1 | -176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1024 | G | 26.4 | Very low | 28 | Very low | 72 Ų | 72 | 131.4 Ų | 131.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 172.4 | 107.1 | 163 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1025 | Q | 26 | Very low | 27.4 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -32 | 144.3 | 168 | -66 | 165.8 | -35.7 | 0 | 0 | 117.5 | ||||
| 1026 | A | 25.8 | Very low | 26.8 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | 167.1 | 156.4 | 109.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1027 | A | 24.1 | Very low | 26.4 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -87.8 | 161.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1028 | S | 25.1 | Very low | 26.1 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | trans | 41.9 | 120.1 | 143.1 | 64.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1029 | S | 24.2 | Very low | 25.5 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | -174.6 | 139.5 | 115.6 | 41.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1030 | S | 24.2 | Very low | 25.3 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -66.9 | 145.9 | 168.2 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1031 | A | 25 | Very low | 25.1 | Very low | 81 Ų | 81 | 135 Ų | 135 | 67% | 0.669 | 83% | 0.833 | S | S | * | * | 155.8 | 137.3 | 116.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1032 | H | 25.7 | Very low | 25.2 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | 57.3 | 121.9 | 151.2 | -60.5 | -54.1 | 0 | 0 | 0 | 121.4 | ||||
| 1033 | S | 24.1 | Very low | 25.1 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | -174 | 152 | 84.5 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1034 | S | 24 | Very low | 24.9 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -84.6 | 150 | -175.8 | 36.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1035 | K | 25.3 | Very low | 25 | Very low | 219 Ų | 219 | 132.5 Ų | 132.5 | 95% | 0.952 | 83% | 0.83 | S | S | * | * | trans | -164.1 | 134.3 | 137.4 | -105.3 | 164.9 | -168.8 | -178.2 | 0 | 111.3 | ||||
| 1036 | S | 24.8 | Very low | 25 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | -93.1 | 145.3 | -171.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1037 | A | 24.6 | Very low | 25 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -160 | 134.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1038 | R | 24.6 | Very low | 25.2 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -75.8 | 152.3 | -168.3 | -71.3 | 161.9 | 160.2 | 168.2 | -6.8 | 114.4 | ||||
| 1039 | S | 23 | Very low | 25.1 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -147.4 | 141.1 | 132.3 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1040 | S | 24.9 | Very low | 25.1 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -110.9 | 138.5 | -159.8 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1041 | T | 25.8 | Very low | 25.2 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | trans | -108.2 | 140.5 | 165 | 40.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1042 | P | 27 | Very low | 25.2 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 154 | 177.7 | 12.3 | 3.9 | 0 | 0 | 0 | 113.3 | ||
| 1043 | S | 24 | Very low | 25.3 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 145.1 | -176.1 | 40.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1044 | S | 24.9 | Very low | 25.3 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 149.7 | 166.2 | -56 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1045 | P | 28.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 146.3 | -177.7 | 34.6 | -31.6 | 0 | 0 | 0 | 112.7 | ||
| 1046 | T | 25.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 91% | 0.908 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 133.7 | 177.9 | -21.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1047 | G | 25.5 | Very low | 25.4 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -127.1 | 102.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1048 | T | 27 | Very low | 25.5 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | 7.5 | 119 | 162.6 | 55.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1049 | S | 23.3 | Very low | 25.5 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -72.5 | 130.4 | 161.4 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1050 | S | 25.6 | Very low | 25.7 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -112.2 | 112.2 | 150.9 | 56.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1051 | S | 25.7 | Very low | 26 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -63.1 | 120.9 | 171.2 | 41.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1052 | D | 24.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -133.4 | 131.4 | 146.5 | -143.3 | -3.4 | 0 | 0 | 0 | 109.1 | ||||
| 1053 | S | 27.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -105.9 | 112.6 | -168.1 | -49.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1054 | G | 24.3 | Very low | 29.4 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 178.6 | 104.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1055 | G | 24.3 | Very low | 31.6 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 84.6 | 108.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | H1057 | G1055-H1057 PolarHBondContact O-N 3.39Å; G1055-H1057 VanDerWaalsContact O-N 3.11Å | ||
| 1056 | H | 27.8 | Very low | 33.9 | Very low | 180 Ų | 180 | 125 Ų | 125 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | trans | -57.4 | 108.9 | 164.9 | -76.4 | -71.9 | 0 | 0 | 0 | 112.1 | ||||
| 1057 | H | 23.4 | Very low | 36.6 | Very low | 188 Ų | 188 | 121.2 Ų | 121.2 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | -136.1 | 97.7 | 141.9 | -88.3 | -71.3 | 0 | 0 | 0 | 107.3 | G1055 G1059 | G1055-H1057 PolarHBondContact O-N 3.39Å; G1055-H1057 VanDerWaalsContact O-N 3.11Å; H1057-G1059 PolarHBondContact O-N 2.86Å | ||
| 1058 | I | 27 | Very low | 39.3 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | trans | -64.2 | 108.9 | 166 | -65.8 | 171.3 | 0 | 0 | 0 | 105.7 | W1060 | I1058-W1060 PolarHBondContact O-N 3.19Š| ||
| 1059 | G | 25.7 | Very low | 41.8 | Very low | 58 Ų | 58 | 114.2 Ų | 114.2 | 60% | 0.598 | 65% | 0.653 | S | S | * | * | trans | -59.1 | 96.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1057 G1061 | H1057-G1059 PolarHBondContact O-N 2.86Å; G1059-G1061 VanDerWaalsContact C-N 3.3Å | ||
| 1060 | W | 27.2 | Very low | 44.5 | Very low | 225 Ų | 225 | 112.2 Ų | 112.2 | 85% | 0.852 | 63% | 0.626 | S | S | * | * | trans | -82.3 | -9.8 | 163.2 | -85.6 | 48.6 | 0 | 0 | 0 | 112 | I1058 | I1058-W1060 PolarHBondContact O-N 3.19Š| ||
| 1061 | G | 29.9 | Very low | 47.4 | Very low | 63 Ų | 63 | 106.7 Ų | 106.7 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -23.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1059 | G1059-G1061 VanDerWaalsContact C-N 3.3Š|
| 1062 | E | 40.3 | Very low | 50.1 | Low | 190 Ų | 190 | 106 Ų | 106 | 89% | 0.888 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -10.4 | -173.7 | -74.2 | -179.3 | 169.3 | 0 | 0 | 114.6 | ||
| 1063 | R | 49.6 | Very low | 52.7 | Low | 203 Ų | 203 | 98.4 Ų | 98.4 | 77% | 0.766 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -108.4 | -3.6 | -175.6 | -63.1 | -171.8 | -171.7 | -152.1 | 1.2 | 114.9 | ||
| 1064 | Q | 59.3 | Low | 55.4 | Low | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 128.7 | -178.2 | -166 | 170 | 1.6 | 0 | 0 | 110.2 | ||
| 1065 | G | 70.7 | Confident | 58.2 | Low | 27 Ų | 27 | 90 Ų | 90 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -0.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1069 D1202 | G1065-R1069 WeakPolarHBondContact O-CB 3.34Å; G1065-R1069 PolarHBondContact O-N 3.21Å; G1065-D1202 VanDerWaalsContact CA-CG 3.49Å; G1065-D1202 WeakPolarHBondContact CA-OD1 3.39Å; G1065-D1202 WeakPolarHBondContact CA-OD2 3.04Å; G1065-D1202 VanDerWaalsContact N-CG 3.29Å; G1065-D1202 PolarHBondContact N-OD1 3.4Å; G1065-D1202 PolarHBondContact N-OD2 3.28Å |
| 1066 | Q | 76.3 | Confident | 60.8 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | -175.2 | -166.8 | -174.6 | 23.5 | 0 | 0 | 112.6 | E963 R1070 D1202 | E963-Q1066 PolarHBondContact OE1-NE2 3.46Å; Q1066-R1070 PolarHBondContact O-N 3.29Å; Q1066-D1202 PolarHBondContact N-OD1 2.83Å; Q1066-D1202 VanDerWaalsContact N-OD1 3.17Å |
| 1067 | W | 82.9 | Confident | 63.3 | Low | 67 Ų | 67 | 78 Ų | 78 | 25% | 0.254 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -80.4 | -35.6 | -179.2 | -71 | 106.6 | 0 | 0 | 0 | 111.7 | V992 R1069 R1070 R1071 D1202 A1204 P1205 | V992-W1067 HydrophobicContact CG1-CH2 3.93Å; V992-W1067 HydrophobicContact CG1-CZ2 4.34Å; W1067-R1069 VanDerWaalsContact C-N 3.29Å; W1067-R1069 PolarHBondContact O-N 2.98Å; W1067-R1070 HydrophobicContact CE3-CB 4.44Å; W1067-R1070 PolarHBondContact O-N 3Å; W1067-R1071 WeakPolarHBondContact O-CG 3.19Å; W1067-R1071 PolarHBondContact O-N 2.86Å; W1067-D1202 WeakPolarHBondContact CB-O 3.44Å; W1067-D1202 PolarHBondContact N-OD1 2.73Å; W1067-A1204 HydrophobicContact CD2-CB 4.38Å; W1067-A1204 HydrophobicContact CZ2-CB 4Å; W1067-P1205 VanDerWaalsContact CE3-CD 3.42Å; W1067-P1205 HydrophobicContact CE3-CG 4.03Å; W1067-P1205 HydrophobicContact CH2-CG 4.31Å; W1067-P1205 HydrophobicContact CZ3-CG 3.79Å |
| 1068 | L | 82.1 | Confident | 66.1 | Low | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 171.3 | 170.7 | 63.1 | 0 | 0 | 0 | 110.2 | R1071 R1072 E1135 Y1201 D1202 | L1068-R1071 PolarHBondContact O-N 3.21Å; L1068-R1072 HydrophobicContact CD1-CG 4.34Å; L1068-R1072 WeakPolarHBondContact O-CG 3.46Å; L1068-R1072 PolarHBondContact O-N 3.45Å; L1068-E1135 HydrophobicContact CD1-CB 3.95Å; L1068-E1135 HydrophobicContact CD1-CG 4.08Å; L1068-Y1201 WeakPolarHBondContact CA-O 3.27Å; L1068-Y1201 HydrophobicContact CD1-CG 4.28Å; L1068-Y1201 PolarHBondContact N-O 2.98Å; L1068-D1202 HydrophobicContact CB-CB 4.06Å; L1068-D1202 PolarHBondContact N-OD1 3.07Å |
| 1069 | R | 79.1 | Confident | 68.8 | Low | 35 Ų | 35 | 64.9 Ų | 64.9 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.9 | -51.7 | 172.9 | 179 | -177 | -177.7 | -99.5 | 0.4 | 111.4 | E927 G1065 W1067 R1071 R1072 L1073 | E927-R1069 VanDerWaalsContact CD-NH2 3.35Å; E927-R1069 WeakPolarHBondContact OE1-CG 3.48Å; E927-R1069 IonicContact OE1-CZ 2.67Å; E927-R1069 IonicContact OE1-NE 2.81Å; E927-R1069 PolarHBondContact OE1-NE 3.41Å; E927-R1069 IonicContact OE1-NH2 3.31Å; E927-R1069 IonicContact OE2-CZ 2.99Å; E927-R1069 VanDerWaalsContact OE2-CZ 3.26Å; E927-R1069 IonicContact OE2-NE 3.42Å; E927-R1069 PolarHBondContact OE2-NE 3.27Å; E927-R1069 IonicContact OE2-NH2 3.19Å; E927-R1069 PolarHBondContact OE2-NH2 2.98Å; G1065-R1069 WeakPolarHBondContact O-CB 3.34Å; G1065-R1069 PolarHBondContact O-N 3.21Å; W1067-R1069 VanDerWaalsContact C-N 3.29Å; W1067-R1069 PolarHBondContact O-N 2.98Å; R1069-R1071 VanDerWaalsContact C-N 3.32Å; R1069-R1071 PolarHBondContact O-N 3.17Å; R1069-R1072 WeakPolarHBondContact O-CB 3.01Å; R1069-R1072 PolarHBondContact O-N 2.77Å; R1069-L1073 HydrophobicContact CG-CD1 4.27Å; R1069-L1073 WeakPolarHBondContact O-CG 3.11Å; R1069-L1073 PolarHBondContact O-N 3.46Å |
| 1070 | R | 81.6 | Confident | 71.7 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 179.6 | -172.9 | 72.7 | -170.8 | -156.5 | -1.8 | 112 | G961 Q1066 W1067 L1073 D1074 | G961-R1070 PolarHBondContact O-NH1 2.89Å; G961-R1070 VanDerWaalsContact O-NH1 3.08Å; Q1066-R1070 PolarHBondContact O-N 3.29Å; W1067-R1070 HydrophobicContact CE3-CB 4.44Å; W1067-R1070 PolarHBondContact O-N 3Å; R1070-L1073 PolarHBondContact O-N 3.37Å; R1070-D1074 IonicContact CZ-OD2 3.38Å; R1070-D1074 IonicContact NE-OD1 2.81Å; R1070-D1074 IonicContact NE-OD2 3.69Å; R1070-D1074 PolarHBondContact NE-OD2 3.13Å; R1070-D1074 IonicContact NH2-OD2 2.76Å; R1070-D1074 WeakPolarHBondContact O-CB 3.19Å; R1070-D1074 PolarHBondContact O-N 3.26Å |
| 1071 | R | 86.6 | Confident | 74.4 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 177.7 | -71.2 | -171.6 | 177.4 | 104.1 | 2.6 | 112.9 | W1067 L1068 R1069 G1075 E1135 Q1138 E1142 Y1201 S1203 T1211 | W1067-R1071 WeakPolarHBondContact O-CG 3.19Å; W1067-R1071 PolarHBondContact O-N 2.86Å; L1068-R1071 PolarHBondContact O-N 3.21Å; R1069-R1071 VanDerWaalsContact C-N 3.32Å; R1069-R1071 PolarHBondContact O-N 3.17Å; R1071-G1075 WeakPolarHBondContact O-CA 3.31Å; R1071-G1075 PolarHBondContact O-N 3.41Å; R1071-E1135 HydrophobicContact CB-CB 4.23Å; R1071-Q1138 HydrophobicContact CB-CB 4.06Å; R1071-Q1138 HydrophobicContact CB-CG 4.2Å; R1071-Q1138 HydrophobicContact CG-CB 4.21Å; R1071-Q1138 HydrophobicContact CG-CG 3.95Å; R1071-E1142 IonicContact CZ-OE1 2.94Å; R1071-E1142 IonicContact NE-OE1 2.88Å; R1071-E1142 PolarHBondContact NE-OE1 2.97Å; R1071-E1142 IonicContact NH2-OE1 3.81Å; R1071-E1142 PolarHBondContact NH2-OE1 2.95Å; R1071-E1142 VanDerWaalsContact NH2-OE1 3.1Å; R1071-E1142 IonicContact NH2-OE2 3.12Å; R1071-E1142 PolarHBondContact NH2-OE2 2.78Å; R1071-Y1201 VanDerWaalsContact NH1-C 3.35Å; R1071-Y1201 PolarHBondContact NH1-O 2.97Å; R1071-S1203 VanDerWaalsContact CZ-O 3.31Å; R1071-S1203 PolarHBondContact NH1-O 3.24Å; R1071-S1203 PolarHBondContact NH2-O 3.02Å; R1071-T1211 PolarHBondContact NH2-OG1 3.07Å |
| 1072 | R | 81.8 | Confident | 77 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 172 | -76.5 | -178.7 | 172.1 | 172.5 | 0.4 | 111.6 | L1068 R1069 A1076 P1134 E1135 | L1068-R1072 HydrophobicContact CD1-CG 4.34Å; L1068-R1072 WeakPolarHBondContact O-CG 3.46Å; L1068-R1072 PolarHBondContact O-N 3.45Å; R1069-R1072 WeakPolarHBondContact O-CB 3.01Å; R1069-R1072 PolarHBondContact O-N 2.77Å; R1072-A1076 WeakPolarHBondContact O-CB 3.31Å; R1072-A1076 PolarHBondContact O-N 3.21Å; R1072-P1134 HydrophobicContact CG-CG 4.46Å; R1072-E1135 HydrophobicContact CG-CB 4.04Å; R1072-E1135 WeakPolarHBondContact CG-OE2 3.48Å; R1072-E1135 IonicContact CZ-OE1 4Å; R1072-E1135 VanDerWaalsContact CZ-OE1 3.29Å; R1072-E1135 IonicContact NE-OE1 2.84Å; R1072-E1135 PolarHBondContact NE-OE1 3.35Å; R1072-E1135 IonicContact NE-OE2 3.74Å; R1072-E1135 IonicContact NH2-OE1 2.95Å; R1072-E1135 PolarHBondContact NH2-OE1 3.31Å |
| 1073 | L | 79.6 | Confident | 79.1 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -59.9 | 177.1 | -67.4 | 177.8 | 0 | 0 | 0 | 111.4 | V923 I958 R1069 R1070 G1075 A1076 I1077 | V923-L1073 HydrophobicContact CG1-CD2 3.22Å; I958-L1073 HydrophobicContact CG2-CD2 4.23Å; R1069-L1073 HydrophobicContact CG-CD1 4.27Å; R1069-L1073 WeakPolarHBondContact O-CG 3.11Å; R1069-L1073 PolarHBondContact O-N 3.46Å; R1070-L1073 PolarHBondContact O-N 3.37Å; L1073-G1075 VanDerWaalsContact C-N 3.29Å; L1073-G1075 PolarHBondContact O-N 3.08Å; L1073-A1076 PolarHBondContact O-N 3.18Å; L1073-I1077 VanDerWaalsContact O-CG1 3.31Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.14Å; L1073-I1077 PolarHBondContact O-N 3.31Å; L1073-I1077 VanDerWaalsContact O-N 3.12Å |
| 1074 | D | 83.6 | Confident | 81.1 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | -175.8 | -71.1 | -31.1 | 0 | 0 | 0 | 111.2 | R1070 N1078 R1079 | R1070-D1074 IonicContact CZ-OD2 3.38Å; R1070-D1074 IonicContact NE-OD1 2.81Å; R1070-D1074 IonicContact NE-OD2 3.69Å; R1070-D1074 PolarHBondContact NE-OD2 3.13Å; R1070-D1074 IonicContact NH2-OD2 2.76Å; R1070-D1074 WeakPolarHBondContact O-CB 3.19Å; R1070-D1074 PolarHBondContact O-N 3.26Å; D1074-N1078 WeakPolarHBondContact O-CA 3.46Å; D1074-N1078 PolarHBondContact O-N 3.09Å; D1074-R1079 HydrophobicContact CB-CB 4.32Å; D1074-R1079 PolarHBondContact O-N 2.98Å; D1074-R1079 IonicContact OD1-NH1 2.93Å; D1074-R1079 PolarHBondContact OD1-NH1 3.17Å |
| 1075 | G | 84.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1071 L1073 I1077 N1078 P1134 R1137 | R1071-G1075 WeakPolarHBondContact O-CA 3.31Å; R1071-G1075 PolarHBondContact O-N 3.41Å; L1073-G1075 VanDerWaalsContact C-N 3.29Å; L1073-G1075 PolarHBondContact O-N 3.08Å; G1075-I1077 VanDerWaalsContact C-N 3.32Å; G1075-I1077 PolarHBondContact O-N 3.47Å; G1075-N1078 PolarHBondContact O-N 2.77Å; G1075-N1078 PolarHBondContact O-OD1 3.39Å; G1075-N1078 VanDerWaalsContact O-OD1 3.11Å; G1075-P1134 WeakPolarHBondContact CA-O 3.49Å; G1075-R1137 PolarHBondContact O-NH1 3.3Å |
| 1076 | A | 78.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L919 V923 R1072 L1073 P1134 | L919-A1076 HydrophobicContact CB-CB 4.39Å; V923-A1076 HydrophobicContact CG2-CB 3.69Å; R1072-A1076 WeakPolarHBondContact O-CB 3.31Å; R1072-A1076 PolarHBondContact O-N 3.21Å; L1073-A1076 PolarHBondContact O-N 3.18Å; A1076-P1134 HydrophobicContact CB-CB 4.14Å |
| 1077 | I | 79.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 4.3 | 179 | 73.9 | -171.4 | 0 | 0 | 0 | 113.6 | M912 I920 L1073 G1075 R1079 | M912-I1077 HydrophobicContact CE-CB 3.75Å; M912-I1077 HydrophobicContact CE-CD1 4.13Å; M912-I1077 HydrophobicContact CE-CG1 4.06Å; M912-I1077 HydrophobicContact SD-CD1 4.08Å; M912-I1077 HydrophobicContact SD-CG1 4.29Å; I920-I1077 HydrophobicContact CG1-CG2 4.23Å; L1073-I1077 VanDerWaalsContact O-CG1 3.31Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.14Å; L1073-I1077 PolarHBondContact O-N 3.31Å; L1073-I1077 VanDerWaalsContact O-N 3.12Å; G1075-I1077 VanDerWaalsContact C-N 3.32Å; G1075-I1077 PolarHBondContact O-N 3.47Å; I1077-R1079 VanDerWaalsContact C-N 3.31Å; I1077-R1079 HydrophobicContact CD1-CB 4.18Å; I1077-R1079 HydrophobicContact CG1-CB 3.92Å; I1077-R1079 PolarHBondContact O-N 3.3Å |
| 1078 | N | 81.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.9 | -177.6 | -62.9 | -31.8 | 0 | 0 | 0 | 114.7 | D1074 G1075 V1080 E1125 N1129 R1137 | D1074-N1078 WeakPolarHBondContact O-CA 3.46Å; D1074-N1078 PolarHBondContact O-N 3.09Å; G1075-N1078 PolarHBondContact O-N 2.77Å; G1075-N1078 PolarHBondContact O-OD1 3.39Å; G1075-N1078 VanDerWaalsContact O-OD1 3.11Å; N1078-V1080 PolarHBondContact O-N 2.73Å; N1078-E1125 HydrophobicContact CB-CG 4.4Å; N1078-E1125 PolarHBondContact ND2-OE1 3.1Å; N1078-N1129 PolarHBondContact ND2-ND2 2.9Å; N1078-N1129 PolarHBondContact ND2-OD1 3.14Å; N1078-N1129 PolarHBondContact OD1-OD1 2.82Å; N1078-R1137 VanDerWaalsContact OD1-CD 3.31Å; N1078-R1137 WeakPolarHBondContact OD1-CD 3.39Å; N1078-R1137 PolarHBondContact OD1-NH1 3.45Å |
| 1079 | R | 84.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 16% | 0.155 | 15% | 0.147 | C | C | . | . | trans | -78.5 | 115.7 | 178.2 | -177.1 | 177.9 | -71.7 | 160.4 | -10.7 | 110.5 | L908 M912 L959 D1074 I1077 | L908-R1079 PolarHBondContact O-NH2 2.93Å; M912-R1079 HydrophobicContact CG-CB 4.12Å; M912-R1079 HydrophobicContact CG-CG 4.4Å; L959-R1079 PolarHBondContact O-NH2 3.43Å; D1074-R1079 HydrophobicContact CB-CB 4.32Å; D1074-R1079 PolarHBondContact O-N 2.98Å; D1074-R1079 IonicContact OD1-NH1 2.93Å; D1074-R1079 PolarHBondContact OD1-NH1 3.17Å; I1077-R1079 VanDerWaalsContact C-N 3.31Å; I1077-R1079 HydrophobicContact CD1-CB 4.18Å; I1077-R1079 HydrophobicContact CG1-CB 3.92Å; I1077-R1079 PolarHBondContact O-N 3.3Å | ||
| 1080 | V | 86.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | trans | -109.4 | 160.1 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | E911 N1078 F1084 Y1085 V1141 | E911-V1080 HydrophobicContact CB-CG2 4.02Å; E911-V1080 WeakPolarHBondContact CB-O 3.1Å; N1078-V1080 PolarHBondContact O-N 2.73Å; V1080-F1084 HydrophobicContact CB-CB 4.04Å; V1080-F1084 HydrophobicContact CB-CD1 3.97Å; V1080-F1084 HydrophobicContact CB-CG 3.96Å; V1080-F1084 HydrophobicContact CG1-CD1 4.08Å; V1080-F1084 HydrophobicContact CG1-CE1 4.23Å; V1080-F1084 HydrophobicContact CG1-CG 4.45Å; V1080-F1084 HydrophobicContact CG2-CB 3.88Å; V1080-F1084 HydrophobicContact CG2-CD1 3.93Å; V1080-F1084 HydrophobicContact CG2-CG 4.12Å; V1080-Y1085 HydrophobicContact CG2-CD2 4.47Å; V1080-Y1085 HydrophobicContact CG2-CE2 3.67Å; V1080-V1141 HydrophobicContact CB-CG1 4.43Å; V1080-V1141 HydrophobicContact CG1-CG1 4.02Å; V1080-V1141 HydrophobicContact CG1-CG2 4.14Å | ||
| 1081 | P | 84.4 | Confident | 86.2 | Confident | 42 Ų | 42 | 30.6 Ų | 30.6 | 27% | 0.273 | 15% | 0.146 | S | C | . | . | trans | -69 | 153.6 | 176.3 | -4.4 | 12.1 | 0 | 0 | 0 | 113.2 | G1083 F1084 M1145 | P1081-G1083 PolarHBondContact O-N 3.02Å; P1081-F1084 WeakPolarHBondContact O-CB 3.47Å; P1081-F1084 PolarHBondContact O-N 3.25Å; P1081-F1084 VanDerWaalsContact O-N 3.08Å; P1081-M1145 HydrophobicContact CB-CE 4.2Å; P1081-M1145 HydrophobicContact CB-SD 4.45Å; P1081-M1145 HydrophobicContact CG-CE 3.53Å; P1081-M1145 HydrophobicContact CG-CG 4.04Å; P1081-M1145 HydrophobicContact CG-SD 3.23Å; P1081-M1145 WeakPolarHBondContact CG-SD 3.37Å | ||
| 1082 | V | 83.8 | Confident | 86.4 | Confident | 100 Ų | 100 | 30.4 Ų | 30.4 | 61% | 0.606 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 129.3 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | V910 E911 | V910-V1082 HydrophobicContact CG1-CG2 4.06Å; E911-V1082 HydrophobicContact CG-CB 4.4Å; E911-V1082 HydrophobicContact CG-CG2 3.97Å |
| 1083 | G | 85.1 | Confident | 86.8 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 7.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1081 Q1086 R1087 | P1081-G1083 PolarHBondContact O-N 3.02Å; G1083-Q1086 PolarHBondContact O-OE1 3.05Å; G1083-R1087 VanDerWaalsContact O-CG 3.3Å; G1083-R1087 WeakPolarHBondContact O-CG 3.49Å; G1083-R1087 PolarHBondContact O-N 3.49Å |
| 1084 | F | 90.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.3 | -52.5 | -176.7 | 174 | -100.6 | 0 | 0 | 0 | 111.9 | V1080 P1081 Q1086 R1087 V1088 V1124 L1128 V1141 I1144 M1145 | V1080-F1084 HydrophobicContact CB-CB 4.04Å; V1080-F1084 HydrophobicContact CB-CD1 3.97Å; V1080-F1084 HydrophobicContact CB-CG 3.96Å; V1080-F1084 HydrophobicContact CG1-CD1 4.08Å; V1080-F1084 HydrophobicContact CG1-CE1 4.23Å; V1080-F1084 HydrophobicContact CG1-CG 4.45Å; V1080-F1084 HydrophobicContact CG2-CB 3.88Å; V1080-F1084 HydrophobicContact CG2-CD1 3.93Å; V1080-F1084 HydrophobicContact CG2-CG 4.12Å; P1081-F1084 WeakPolarHBondContact O-CB 3.47Å; P1081-F1084 PolarHBondContact O-N 3.25Å; P1081-F1084 VanDerWaalsContact O-N 3.08Å; F1084-Q1086 PolarHBondContact O-N 2.62Å; F1084-R1087 WeakPolarHBondContact O-CB 3.48Å; F1084-R1087 PolarHBondContact O-N 3.38Å; F1084-R1087 VanDerWaalsContact O-N 3.12Å; F1084-V1088 HydrophobicContact CD1-CG2 4.15Å; F1084-V1088 HydrophobicContact CD2-CG2 4.42Å; F1084-V1088 HydrophobicContact CE1-CG2 3.8Å; F1084-V1088 HydrophobicContact CE2-CG2 4.09Å; F1084-V1088 HydrophobicContact CG-CG2 4.45Å; F1084-V1088 HydrophobicContact CZ-CG2 3.76Å; F1084-V1088 WeakPolarHBondContact O-CG2 3.23Å; F1084-V1088 PolarHBondContact O-N 3.06Å; F1084-V1124 HydrophobicContact CE1-CG1 4.05Å; F1084-L1128 HydrophobicContact CE1-CD1 4.1Å; F1084-L1128 HydrophobicContact CZ-CD1 4.29Å; F1084-V1141 HydrophobicContact CD2-CG1 4.4Å; F1084-V1141 HydrophobicContact CE2-CG1 3.97Å; F1084-V1141 HydrophobicContact CZ-CG1 4.37Å; F1084-I1144 HydrophobicContact CE2-CB 3.95Å; F1084-I1144 HydrophobicContact CE2-CG2 3.56Å; F1084-I1144 HydrophobicContact CZ-CB 4.14Å; F1084-I1144 HydrophobicContact CZ-CD1 4.25Å; F1084-I1144 HydrophobicContact CZ-CG2 3.7Å; F1084-M1145 HydrophobicContact CD2-CG 4.2Å; F1084-M1145 HydrophobicContact CE2-CG 4.39Å |
| 1085 | Y | 91.3 | Very high | 87.4 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | -175.9 | -56.9 | -75 | 0 | 0 | 0 | 112.8 | L913 V1080 R1087 V1088 W1089 F1120 A1121 V1124 | L913-Y1085 HydrophobicContact CD1-CE1 4.36Å; L913-Y1085 HydrophobicContact CD1-CE2 3.76Å; L913-Y1085 HydrophobicContact CG-CE2 4.35Å; V1080-Y1085 HydrophobicContact CG2-CD2 4.47Å; V1080-Y1085 HydrophobicContact CG2-CE2 3.67Å; Y1085-R1087 PolarHBondContact O-N 3.5Å; Y1085-V1088 WeakPolarHBondContact O-CB 3.25Å; Y1085-V1088 PolarHBondContact O-N 3.05Å; Y1085-V1088 VanDerWaalsContact O-N 3.11Å; Y1085-W1089 PolarHBondContact O-N 3.44Å; Y1085-F1120 VanDerWaalsContact O-CE1 3.31Å; Y1085-F1120 WeakPolarHBondContact O-CE1 3.44Å; Y1085-A1121 HydrophobicContact CD1-CB 3.63Å; Y1085-A1121 HydrophobicContact CD2-CB 3.79Å; Y1085-A1121 HydrophobicContact CE1-CB 3.96Å; Y1085-A1121 VanDerWaalsContact CE1-O 3.3Å; Y1085-A1121 WeakPolarHBondContact CE1-O 3.3Å; Y1085-A1121 HydrophobicContact CE2-CB 4.13Å; Y1085-A1121 HydrophobicContact CG-CB 3.51Å; Y1085-V1124 HydrophobicContact CD1-CB 3.91Å; Y1085-V1124 HydrophobicContact CD1-CG1 4.03Å; Y1085-V1124 HydrophobicContact CD1-CG2 4.32Å; Y1085-V1124 HydrophobicContact CE1-CB 4.09Å; Y1085-V1124 HydrophobicContact CE1-CG1 4.13Å |
| 1086 | Q | 90.5 | Very high | 87.6 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.2 | -36.4 | 176.7 | -62.2 | 82.1 | -1.7 | 0 | 0 | 111.3 | G1083 F1084 W1089 K1090 P1115 | G1083-Q1086 PolarHBondContact O-OE1 3.05Å; F1084-Q1086 PolarHBondContact O-N 2.62Å; Q1086-W1089 PolarHBondContact O-N 2.68Å; Q1086-K1090 WeakPolarHBondContact O-CG 3.43Å; Q1086-K1090 PolarHBondContact O-N 3.43Å; Q1086-P1115 HydrophobicContact CB-CB 4.49Å; Q1086-P1115 HydrophobicContact CG-CB 4.47Å |
| 1087 | R | 90.8 | Very high | 88.2 | Confident | 102 Ų | 102 | 36.7 Ų | 36.7 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.5 | -38.5 | 176.3 | -70.3 | 179.3 | -167.5 | 152.9 | 11.2 | 112.2 | G1083 F1084 Y1085 W1089 K1090 I1091 T1148 | G1083-R1087 VanDerWaalsContact O-CG 3.3Å; G1083-R1087 WeakPolarHBondContact O-CG 3.49Å; G1083-R1087 PolarHBondContact O-N 3.49Å; F1084-R1087 WeakPolarHBondContact O-CB 3.48Å; F1084-R1087 PolarHBondContact O-N 3.38Å; F1084-R1087 VanDerWaalsContact O-N 3.12Å; Y1085-R1087 PolarHBondContact O-N 3.5Å; R1087-W1089 VanDerWaalsContact C-N 3.3Å; R1087-W1089 PolarHBondContact O-N 3.15Å; R1087-K1090 PolarHBondContact O-N 3.28Å; R1087-I1091 PolarHBondContact O-N 3.44Å; R1087-I1091 VanDerWaalsContact O-N 3.07Å; R1087-T1148 HydrophobicContact CB-CG2 3.71Å |
| 1088 | V | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 172 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | F1084 Y1085 K1090 I1091 L1092 L1098 L1105 F1120 V1124 I1144 | F1084-V1088 HydrophobicContact CD1-CG2 4.15Å; F1084-V1088 HydrophobicContact CD2-CG2 4.42Å; F1084-V1088 HydrophobicContact CE1-CG2 3.8Å; F1084-V1088 HydrophobicContact CE2-CG2 4.09Å; F1084-V1088 HydrophobicContact CG-CG2 4.45Å; F1084-V1088 HydrophobicContact CZ-CG2 3.76Å; F1084-V1088 WeakPolarHBondContact O-CG2 3.23Å; F1084-V1088 PolarHBondContact O-N 3.06Å; Y1085-V1088 WeakPolarHBondContact O-CB 3.25Å; Y1085-V1088 PolarHBondContact O-N 3.05Å; Y1085-V1088 VanDerWaalsContact O-N 3.11Å; V1088-K1090 PolarHBondContact O-N 3.4Å; V1088-I1091 WeakPolarHBondContact O-CG2 3.34Å; V1088-I1091 PolarHBondContact O-N 2.97Å; V1088-L1092 HydrophobicContact CG1-CD1 4.16Å; V1088-L1092 HydrophobicContact CG1-CG 4.49Å; V1088-L1092 WeakPolarHBondContact O-CG 3.03Å; V1088-L1092 PolarHBondContact O-N 3.38Å; V1088-L1098 HydrophobicContact CG1-CD1 4.07Å; V1088-L1105 HydrophobicContact CG1-CD2 4.19Å; V1088-F1120 HydrophobicContact CB-CE1 4.49Å; V1088-F1120 HydrophobicContact CG1-CZ 4.16Å; V1088-V1124 HydrophobicContact CG1-CG1 4.24Å; V1088-V1124 HydrophobicContact CG1-CG2 3.93Å; V1088-I1144 HydrophobicContact CG2-CG2 3.61Å |
| 1089 | W | 93.3 | Very high | 89.4 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 175.5 | -170.8 | 96.7 | 0 | 0 | 0 | 111.7 | Y1085 Q1086 R1087 I1091 L1092 Q1093 T1110 M1113 P1115 F1120 | Y1085-W1089 PolarHBondContact O-N 3.44Å; Q1086-W1089 PolarHBondContact O-N 2.68Å; R1087-W1089 VanDerWaalsContact C-N 3.3Å; R1087-W1089 PolarHBondContact O-N 3.15Å; W1089-I1091 PolarHBondContact O-N 3.38Å; W1089-L1092 PolarHBondContact O-N 3.38Å; W1089-Q1093 HydrophobicContact CD2-CG 4.46Å; W1089-Q1093 HydrophobicContact CE3-CG 4.07Å; W1089-Q1093 HydrophobicContact CH2-CG 4.12Å; W1089-Q1093 HydrophobicContact CZ2-CG 4.46Å; W1089-Q1093 HydrophobicContact CZ3-CG 3.92Å; W1089-Q1093 PolarHBondContact O-N 3.14Å; W1089-T1110 HydrophobicContact CD2-CG2 4.41Å; W1089-T1110 HydrophobicContact CG-CG2 4.35Å; W1089-M1113 PolarHBondContact NE1-O 2.9Å; W1089-P1115 HydrophobicContact CB-CB 3.96Å; W1089-P1115 HydrophobicContact CD2-CB 3.72Å; W1089-P1115 HydrophobicContact CD2-CG 4.07Å; W1089-P1115 HydrophobicContact CE3-CB 3.88Å; W1089-P1115 HydrophobicContact CE3-CG 4.01Å; W1089-P1115 HydrophobicContact CG-CB 3.74Å; W1089-P1115 HydrophobicContact CH2-CG 4.47Å; W1089-P1115 HydrophobicContact CZ3-CG 4.19Å; W1089-F1120 HydrophobicContact CB-CD1 4.29Å; W1089-F1120 HydrophobicContact CB-CE1 3.63Å; W1089-F1120 HydrophobicContact CB-CE2 4.35Å; W1089-F1120 HydrophobicContact CB-CZ 3.65Å; W1089-F1120 AromaticContact CD1-CD2 3.84Å; W1089-F1120 AromaticContact CD1-CE2 3.73Å; W1089-F1120 AromaticContact CD1-CZ 3.91Å; W1089-F1120 HydrophobicContact CG-CE1 4.35Å; W1089-F1120 HydrophobicContact CG-CE2 4.41Å; W1089-F1120 HydrophobicContact CG-CZ 4.18Å |
| 1090 | K | 90.5 | Very high | 89.7 | Confident | 100 Ų | 100 | 34.5 Ų | 34.5 | 44% | 0.435 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 178.7 | -70.6 | 179.1 | -178.7 | -174.7 | 0 | 113.4 | Q1086 R1087 V1088 Q1093 | Q1086-K1090 WeakPolarHBondContact O-CG 3.43Å; Q1086-K1090 PolarHBondContact O-N 3.43Å; R1087-K1090 PolarHBondContact O-N 3.28Å; V1088-K1090 PolarHBondContact O-N 3.4Å; K1090-Q1093 PolarHBondContact O-N 3.24Å |
| 1091 | I | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.4 | -36.4 | 177.8 | -168.9 | 68.1 | 0 | 0 | 0 | 111.4 | R1087 V1088 W1089 Q1093 K1094 C1095 L1098 T1148 L1150 I1158 | R1087-I1091 PolarHBondContact O-N 3.44Å; R1087-I1091 VanDerWaalsContact O-N 3.07Å; V1088-I1091 WeakPolarHBondContact O-CG2 3.34Å; V1088-I1091 PolarHBondContact O-N 2.97Å; W1089-I1091 PolarHBondContact O-N 3.38Å; I1091-Q1093 PolarHBondContact O-N 3.32Å; I1091-K1094 WeakPolarHBondContact O-CA 3.39Å; I1091-K1094 PolarHBondContact O-N 3.37Å; I1091-C1095 PolarHBondContact O-N 3.35Å; I1091-L1098 HydrophobicContact CG2-CD1 4.13Å; I1091-T1148 HydrophobicContact CG2-CG2 4.47Å; I1091-L1150 HydrophobicContact CD1-CB 4.19Å; I1091-I1158 HydrophobicContact CD1-CD1 3.35Å; I1091-I1158 HydrophobicContact CG1-CD1 4.43Å |
| 1092 | L | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -26.5 | 174.7 | -76.6 | 171.3 | 0 | 0 | 0 | 113.3 | V1088 W1089 K1094 L1098 L1105 S1107 T1110 F1120 | V1088-L1092 HydrophobicContact CG1-CD1 4.16Å; V1088-L1092 HydrophobicContact CG1-CG 4.49Å; V1088-L1092 WeakPolarHBondContact O-CG 3.03Å; V1088-L1092 PolarHBondContact O-N 3.38Å; W1089-L1092 PolarHBondContact O-N 3.38Å; L1092-K1094 PolarHBondContact O-N 2.56Å; L1092-L1098 HydrophobicContact CD2-CB 4.38Å; L1092-L1098 HydrophobicContact CD2-CD1 4.2Å; L1092-L1098 HydrophobicContact CD2-CG 3.8Å; L1092-L1098 HydrophobicContact CG-CD1 4.39Å; L1092-L1098 HydrophobicContact CG-CG 4.47Å; L1092-L1105 HydrophobicContact CD1-CD2 3.67Å; L1092-L1105 HydrophobicContact CD1-CG 3.82Å; L1092-L1105 HydrophobicContact CD2-CD2 4.37Å; L1092-L1105 HydrophobicContact CD2-CG 4.14Å; L1092-L1105 VanDerWaalsContact CD2-O 3.3Å; L1092-L1105 WeakPolarHBondContact CD2-O 3.19Å; L1092-L1105 HydrophobicContact CG-CD2 4.48Å; L1092-S1107 WeakPolarHBondContact O-CB 3.35Å; L1092-T1110 HydrophobicContact CB-CG2 3.71Å; L1092-F1120 HydrophobicContact CD1-CE2 3.83Å; L1092-F1120 HydrophobicContact CD1-CZ 3.79Å |
| 1093 | Q | 89.1 | Confident | 89.7 | Confident | 99 Ų | 99 | 39.5 Ų | 39.5 | 46% | 0.463 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -19.6 | 171.9 | -65.5 | -168.3 | -65.3 | 0 | 0 | 113.1 | W1089 K1090 I1091 T1110 | W1089-Q1093 HydrophobicContact CD2-CG 4.46Å; W1089-Q1093 HydrophobicContact CE3-CG 4.07Å; W1089-Q1093 HydrophobicContact CH2-CG 4.12Å; W1089-Q1093 HydrophobicContact CZ2-CG 4.46Å; W1089-Q1093 HydrophobicContact CZ3-CG 3.92Å; W1089-Q1093 PolarHBondContact O-N 3.14Å; K1090-Q1093 PolarHBondContact O-N 3.24Å; I1091-Q1093 PolarHBondContact O-N 3.32Å; Q1093-T1110 HydrophobicContact CG-CG2 4.13Å |
| 1094 | K | 87.4 | Confident | 89.9 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -8.4 | -175.7 | -60.3 | -169.8 | -178.3 | -172.2 | 0 | 113.8 | I1091 L1092 L1150 S1151 T1153 M1155 S1157 I1158 | I1091-K1094 WeakPolarHBondContact O-CA 3.39Å; I1091-K1094 PolarHBondContact O-N 3.37Å; L1092-K1094 PolarHBondContact O-N 2.56Å; K1094-L1150 PolarHBondContact NZ-O 3.03Å; K1094-S1151 WeakPolarHBondContact CE-O 3.44Å; K1094-S1151 PolarHBondContact NZ-O 2.82Å; K1094-T1153 PolarHBondContact NZ-O 3.48Å; K1094-M1155 PolarHBondContact NZ-O 3.44Å; K1094-S1157 CarbonylContact O-C 3.36Å; K1094-S1157 WeakPolarHBondContact O-CA 3.44Å; K1094-S1157 PolarHBondContact O-OG 3.38Å; K1094-I1158 HydrophobicContact CB-CD1 4.14Å; K1094-I1158 HydrophobicContact CB-CG1 4.22Å; K1094-I1158 PolarHBondContact O-N 3.02Å |
| 1095 | C | 88.8 | Confident | 90 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -127.6 | 174.1 | 178.2 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | I1091 S1107 I1162 | I1091-C1095 PolarHBondContact O-N 3.35Å; C1095-S1107 WeakPolarHBondContact O-CB 3.34Å; C1095-I1162 HydrophobicContact CB-CD1 3.97Å; C1095-I1162 HydrophobicContact CB-CG1 4.24Å |
| 1096 | H | 89 | Confident | 90 | Very high | 116 Ų | 116 | 43.4 Ų | 43.4 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77.4 | -24.6 | 173.2 | -61.8 | 99.9 | 0 | 0 | 0 | 112.3 | S1107 G1160 I1161 | H1096-S1107 PolarHBondContact O-N 3.47Å; H1096-S1107 PolarHBondContact O-OG 3.34Å; H1096-G1160 VanDerWaalsContact CB-O 3.26Å; H1096-G1160 WeakPolarHBondContact CB-O 3.45Å; H1096-G1160 PolarHBondContact N-O 2.85Å; H1096-G1160 WeakPolarHBondContact ND1-CA 3.29Å; H1096-G1160 PolarHBondContact ND1-N 3.44Å; H1096-G1160 PolarHBondContact ND1-O 3.25Å; H1096-I1161 HydrophobicContact CB-CG1 4.22Å |
| 1097 | G | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | 170.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1105 I1161 I1162 | G1097-L1105 CarbonylContact C-O 3.53Å; G1097-L1105 WeakPolarHBondContact CA-O 3.49Å; G1097-I1161 WeakPolarHBondContact O-CA 3.18Å; G1097-I1162 PolarHBondContact O-N 3.1Å |
| 1098 | L | 93 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.1 | 170.3 | -61.3 | 177.7 | 0 | 0 | 0 | 108.7 | V1088 I1091 L1092 V1104 L1105 I1162 | V1088-L1098 HydrophobicContact CG1-CD1 4.07Å; I1091-L1098 HydrophobicContact CG2-CD1 4.13Å; L1092-L1098 HydrophobicContact CD2-CB 4.38Å; L1092-L1098 HydrophobicContact CD2-CD1 4.2Å; L1092-L1098 HydrophobicContact CD2-CG 3.8Å; L1092-L1098 HydrophobicContact CG-CD1 4.39Å; L1092-L1098 HydrophobicContact CG-CG 4.47Å; L1098-V1104 WeakPolarHBondContact O-CA 3.35Å; L1098-L1105 HydrophobicContact CB-CB 4.44Å; L1098-L1105 PolarHBondContact N-O 2.9Å; L1098-L1105 PolarHBondContact O-N 2.73Å; L1098-I1162 HydrophobicContact CD2-CB 3.94Å; L1098-I1162 HydrophobicContact CD2-CD1 4.14Å; L1098-I1162 HydrophobicContact CD2-CG1 4.47Å; L1098-I1162 HydrophobicContact CD2-CG2 4.49Å |
| 1099 | S | 92.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.7 | 171.7 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | Y1103 I1162 H1163 V1164 | S1099-Y1103 CarbonylContact C-O 3.56Å; S1099-Y1103 WeakPolarHBondContact CA-O 3.22Å; S1099-I1162 PolarHBondContact N-O 3.27Å; S1099-H1163 WeakPolarHBondContact CB-ND1 3.45Å; S1099-H1163 PolarHBondContact OG-ND1 3.36Å; S1099-V1164 WeakPolarHBondContact O-CG2 3.44Å; S1099-V1164 PolarHBondContact O-N 3.18Å |
| 1100 | I | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 113.2 | 174.5 | -57.6 | 172.6 | 0 | 0 | 0 | 106.8 | G1102 Y1103 V1127 L1128 V1131 L1140 I1144 V1164 | I1100-G1102 VanDerWaalsContact C-N 3.29Å; I1100-G1102 PolarHBondContact O-N 3.5Å; I1100-Y1103 PolarHBondContact N-O 3.11Å; I1100-Y1103 PolarHBondContact O-N 3.5Å; I1100-V1127 HydrophobicContact CB-CG1 3.87Å; I1100-V1127 HydrophobicContact CD1-CG1 3.94Å; I1100-V1127 HydrophobicContact CG1-CG1 4.29Å; I1100-L1128 HydrophobicContact CD1-CD2 3.86Å; I1100-L1128 HydrophobicContact CD1-CG 4.32Å; I1100-V1131 HydrophobicContact CG2-CG2 4.04Å; I1100-L1140 HydrophobicContact CG2-CD1 3.99Å; I1100-I1144 HydrophobicContact CD1-CD1 3.79Å; I1100-V1164 HydrophobicContact CG1-CB 4.25Å; I1100-V1164 HydrophobicContact CG1-CG2 4.07Å |
| 1101 | D | 84.3 | Confident | 89.1 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 43% | 0.433 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 45.8 | 179.1 | -163.7 | 34.3 | 0 | 0 | 0 | 112.4 | Y1103 V1131 D1165 | D1101-Y1103 WeakPolarHBondContact O-CD2 3.39Å; D1101-Y1103 PolarHBondContact O-N 3.06Å; D1101-V1131 HydrophobicContact CB-CG2 4.18Å; D1101-D1165 PolarHBondContact N-OD1 2.93Å |
| 1102 | G | 82.9 | Confident | 88.8 | Confident | 61 Ų | 61 | 44 Ų | 44 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | -6.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1100 | I1100-G1102 VanDerWaalsContact C-N 3.29Å; I1100-G1102 PolarHBondContact O-N 3.5Å |
| 1103 | Y | 87.9 | Confident | 88.7 | Confident | 116 Ų | 116 | 44.7 Ų | 44.7 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.1 | 176.7 | -66.9 | -69.1 | 0 | 0 | 0 | 112.1 | S1099 I1100 D1101 R1130 | S1099-Y1103 CarbonylContact C-O 3.56Å; S1099-Y1103 WeakPolarHBondContact CA-O 3.22Å; I1100-Y1103 PolarHBondContact N-O 3.11Å; I1100-Y1103 PolarHBondContact O-N 3.5Å; D1101-Y1103 WeakPolarHBondContact O-CD2 3.39Å; D1101-Y1103 PolarHBondContact O-N 3.06Å; Y1103-R1130 HydrophobicContact CD2-CB 4.38Å; Y1103-R1130 HydrophobicContact CD2-CG 4.46Å; Y1103-R1130 HydrophobicContact CE2-CB 4.43Å; Y1103-R1130 HydrophobicContact CE2-CG 4.49Å |
| 1104 | V | 90.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 40.3 Ų | 40.3 | 39% | 0.394 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.3 | -177.3 | -176 | 0 | 0 | 0 | 0 | 109.6 | L1098 P1106 I1161 | L1098-V1104 WeakPolarHBondContact O-CA 3.35Å; V1104-P1106 VanDerWaalsContact O-CD 3.26Å; V1104-P1106 WeakPolarHBondContact O-CD 3.42Å; V1104-I1161 HydrophobicContact CG1-CD1 4.23Å; V1104-I1161 HydrophobicContact CG1-CG2 4.29Å; V1104-I1161 HydrophobicContact CG2-CD1 4.22Å; V1104-I1161 HydrophobicContact CG2-CG2 4.28Å |
| 1105 | L | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 101.1 | 161.2 | -179.9 | 62.1 | 0 | 0 | 0 | 107.8 | V1088 L1092 G1097 L1098 T1109 H1123 V1124 | V1088-L1105 HydrophobicContact CG1-CD2 4.19Å; L1092-L1105 HydrophobicContact CD1-CD2 3.67Å; L1092-L1105 HydrophobicContact CD1-CG 3.82Å; L1092-L1105 HydrophobicContact CD2-CD2 4.37Å; L1092-L1105 HydrophobicContact CD2-CG 4.14Å; L1092-L1105 VanDerWaalsContact CD2-O 3.3Å; L1092-L1105 WeakPolarHBondContact CD2-O 3.19Å; L1092-L1105 HydrophobicContact CG-CD2 4.48Å; G1097-L1105 CarbonylContact C-O 3.53Å; G1097-L1105 WeakPolarHBondContact CA-O 3.49Å; L1098-L1105 HydrophobicContact CB-CB 4.44Å; L1098-L1105 PolarHBondContact N-O 2.9Å; L1098-L1105 PolarHBondContact O-N 2.73Å; L1105-T1109 HydrophobicContact CD1-CG2 4.47Å; L1105-H1123 WeakPolarHBondContact CD1-CD2 3.4Å; L1105-H1123 WeakPolarHBondContact CD1-NE2 3.48Å; L1105-V1124 HydrophobicContact CD2-CG2 3.9Å |
| 1106 | P | 91.4 | Very high | 88.6 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 154.4 | -170 | 32.8 | -36 | 0 | 0 | 0 | 111.7 | V1104 S1108 T1109 | V1104-P1106 VanDerWaalsContact O-CD 3.26Å; V1104-P1106 WeakPolarHBondContact O-CD 3.42Å; P1106-S1108 WeakPolarHBondContact CB-OG 3.33Å; P1106-S1108 WeakPolarHBondContact CG-OG 3.35Å; P1106-S1108 PolarHBondContact O-N 3.2Å; P1106-T1109 VanDerWaalsContact O-CB 3.32Å; P1106-T1109 WeakPolarHBondContact O-CB 3.2Å; P1106-T1109 PolarHBondContact O-N 3.13Å; P1106-T1109 VanDerWaalsContact O-N 3.17Å; P1106-T1109 PolarHBondContact O-OG1 3.42Å |
| 1107 | S | 89.1 | Confident | 88.6 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | L1092 C1095 H1096 T1109 T1110 | L1092-S1107 WeakPolarHBondContact O-CB 3.35Å; C1095-S1107 WeakPolarHBondContact O-CB 3.34Å; H1096-S1107 PolarHBondContact O-N 3.47Å; H1096-S1107 PolarHBondContact O-OG 3.34Å; S1107-T1109 PolarHBondContact O-N 3.01Å; S1107-T1109 VanDerWaalsContact O-N 3.17Å; S1107-T1110 WeakPolarHBondContact O-CB 3.48Å; S1107-T1110 PolarHBondContact O-N 3.19Å; S1107-T1110 PolarHBondContact O-OG1 3.17Å |
| 1108 | S | 87.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.2 | 172.5 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | P1106 T1110 R1111 E1112 | P1106-S1108 WeakPolarHBondContact CB-OG 3.33Å; P1106-S1108 WeakPolarHBondContact CG-OG 3.35Å; P1106-S1108 PolarHBondContact O-N 3.2Å; S1108-T1110 PolarHBondContact O-N 3.36Å; S1108-T1110 VanDerWaalsContact O-N 3.13Å; S1108-R1111 WeakPolarHBondContact O-CA 3.19Å; S1108-R1111 WeakPolarHBondContact O-CB 3.3Å; S1108-R1111 PolarHBondContact O-N 3.34Å; S1108-E1112 PolarHBondContact O-N 3.26Å |
| 1109 | T | 87 | Confident | 87.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.5 | -33.5 | 174.6 | -42.9 | 0 | 0 | 0 | 0 | 112.1 | L1105 P1106 S1107 R1111 E1112 M1113 F1120 | L1105-T1109 HydrophobicContact CD1-CG2 4.47Å; P1106-T1109 VanDerWaalsContact O-CB 3.32Å; P1106-T1109 WeakPolarHBondContact O-CB 3.2Å; P1106-T1109 PolarHBondContact O-N 3.13Å; P1106-T1109 VanDerWaalsContact O-N 3.17Å; P1106-T1109 PolarHBondContact O-OG1 3.42Å; S1107-T1109 PolarHBondContact O-N 3.01Å; S1107-T1109 VanDerWaalsContact O-N 3.17Å; T1109-R1111 PolarHBondContact O-N 2.82Å; T1109-E1112 PolarHBondContact O-N 3.18Å; T1109-M1113 HydrophobicContact CG2-CE 4.45Å; T1109-M1113 HydrophobicContact CG2-SD 4.14Å; T1109-M1113 PolarHBondContact O-N 2.88Å; T1109-F1120 HydrophobicContact CG2-CD2 3.86Å; T1109-F1120 HydrophobicContact CG2-CE2 4.02Å |
| 1110 | T | 88.4 | Confident | 87.8 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.4 | -17.1 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | R298 W1089 L1092 Q1093 S1107 S1108 M1113 | R298-T1110 PolarHBondContact NH1-O 2.75Å; R298-T1110 PolarHBondContact NH2-O 2.74Å; W1089-T1110 HydrophobicContact CD2-CG2 4.41Å; W1089-T1110 HydrophobicContact CG-CG2 4.35Å; L1092-T1110 HydrophobicContact CB-CG2 3.71Å; Q1093-T1110 HydrophobicContact CG-CG2 4.13Å; S1107-T1110 WeakPolarHBondContact O-CB 3.48Å; S1107-T1110 PolarHBondContact O-N 3.19Å; S1107-T1110 PolarHBondContact O-OG1 3.17Å; S1108-T1110 PolarHBondContact O-N 3.36Å; S1108-T1110 VanDerWaalsContact O-N 3.13Å; T1110-M1113 VanDerWaalsContact O-O 3.09Å |
| 1111 | R | 86.1 | Confident | 87.7 | Confident | 139 Ų | 139 | 43.3 Ų | 43.3 | 53% | 0.525 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -78.8 | -36.8 | 173 | -56.4 | -177.3 | 178.1 | -174.6 | -1.6 | 111 | R298 K319 S1108 T1109 | R298-R1111 PolarHBondContact NH1-O 2.94Å; K319-R1111 HydrophobicContact CB-CB 3.86Å; K319-R1111 HydrophobicContact CB-CG 4.4Å; K319-R1111 HydrophobicContact CG-CB 4.36Å; K319-R1111 HydrophobicContact CG-CG 4.43Å; K319-R1111 PolarHBondContact N-O 3.31Å; S1108-R1111 WeakPolarHBondContact O-CA 3.19Å; S1108-R1111 WeakPolarHBondContact O-CB 3.3Å; S1108-R1111 PolarHBondContact O-N 3.34Å; T1109-R1111 PolarHBondContact O-N 2.82Å |
| 1112 | E | 84.1 | Confident | 87.8 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -79.3 | -38.1 | -179.9 | -61.6 | 177.2 | -161.1 | 0 | 0 | 111.9 | P315 L318 S1108 T1109 | P315-E1112 VanDerWaalsContact CB-CD 3.5Å; P315-E1112 HydrophobicContact CB-CG 3.74Å; P315-E1112 WeakPolarHBondContact CB-OE1 3.48Å; P315-E1112 WeakPolarHBondContact O-CG 3.4Å; L318-E1112 WeakPolarHBondContact CD1-O 3.41Å; S1108-E1112 PolarHBondContact O-N 3.26Å; T1109-E1112 PolarHBondContact O-N 3.18Å |
| 1113 | M | 89.6 | Confident | 88 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.069 | 21% | 0.206 | C | C | . | . | trans | -126.3 | 155 | -168.2 | -55.3 | 177.1 | -163.1 | 0 | 0 | 113.5 | R298 W1089 T1109 T1110 E1117 K1119 F1120 | R298-M1113 PolarHBondContact NH1-O 3.05Å; W1089-M1113 PolarHBondContact NE1-O 2.9Å; T1109-M1113 HydrophobicContact CG2-CE 4.45Å; T1109-M1113 HydrophobicContact CG2-SD 4.14Å; T1109-M1113 PolarHBondContact O-N 2.88Å; T1110-M1113 VanDerWaalsContact O-O 3.09Å; M1113-E1117 WeakPolarHBondContact CA-OE2 3.36Å; M1113-E1117 VanDerWaalsContact CB-OE2 3.24Å; M1113-E1117 WeakPolarHBondContact CB-OE2 3.4Å; M1113-K1119 HydrophobicContact CE-CD 3.96Å; M1113-K1119 HydrophobicContact CE-CG 3.81Å; M1113-K1119 HydrophobicContact SD-CB 4.13Å; M1113-K1119 HydrophobicContact SD-CD 4.33Å; M1113-K1119 HydrophobicContact SD-CG 3.91Å; M1113-F1120 HydrophobicContact CB-CB 4.04Å; M1113-F1120 HydrophobicContact CB-CD2 4.42Å; M1113-F1120 VanDerWaalsContact SD-CA 3.52Å; M1113-F1120 HydrophobicContact SD-CB 3.95Å; M1113-F1120 HydrophobicContact SD-CD2 4.46Å; M1113-F1120 PolarHBondContact SD-N 2.88Å | ||
| 1114 | T | 88.7 | Confident | 88.1 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -97.6 | 161.4 | 175.2 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | E254 H1116 E1117 | E254-T1114 WeakPolarHBondContact OE2-CB 3.42Å; E254-T1114 PolarHBondContact OE2-OG1 2.93Å; T1114-H1116 VanDerWaalsContact C-N 3.27Å; T1114-H1116 PolarHBondContact O-N 3.4Å; T1114-E1117 WeakPolarHBondContact CG2-OE1 3Å; T1114-E1117 PolarHBondContact N-OE2 2.87Å; T1114-E1117 PolarHBondContact O-N 3.34Å; T1114-E1117 WeakPolarHBondContact OG1-CG 3.5Å; T1114-E1117 PolarHBondContact OG1-OE1 3.44Å | ||
| 1115 | P | 87.3 | Confident | 88.1 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.7 | -174.3 | 22.2 | -31.4 | 0 | 0 | 0 | 114.9 | Q1086 W1089 | Q1086-P1115 HydrophobicContact CB-CB 4.49Å; Q1086-P1115 HydrophobicContact CG-CB 4.47Å; W1089-P1115 HydrophobicContact CB-CB 3.96Å; W1089-P1115 HydrophobicContact CD2-CB 3.72Å; W1089-P1115 HydrophobicContact CD2-CG 4.07Å; W1089-P1115 HydrophobicContact CE3-CB 3.88Å; W1089-P1115 HydrophobicContact CE3-CG 4.01Å; W1089-P1115 HydrophobicContact CG-CB 3.74Å; W1089-P1115 HydrophobicContact CH2-CG 4.47Å; W1089-P1115 HydrophobicContact CZ3-CG 4.19Å |
| 1116 | H | 87.3 | Confident | 87.8 | Confident | 98 Ų | 98 | 35 Ų | 35 | 45% | 0.454 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 5.1 | -179.2 | -52.2 | 90.3 | 0 | 0 | 0 | 113.2 | E254 T1114 | E254-H1116 HydrophobicContact CB-CB 4.18Å; E254-H1116 WeakPolarHBondContact OE2-CB 3.36Å; E254-H1116 IonicContact OE2-CG 3.38Å; E254-H1116 IonicContact OE2-ND1 2.87Å; T1114-H1116 VanDerWaalsContact C-N 3.27Å; T1114-H1116 PolarHBondContact O-N 3.4Å |
| 1117 | E | 88.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | trans | -75.3 | 132.1 | 173.3 | -81.7 | 164.6 | -166.6 | 0 | 0 | 111 | K189 S252 E254 M1113 T1114 K1119 F1120 A1121 | K189-E1117 WeakPolarHBondContact CD-OE1 3.3Å; K189-E1117 IonicContact NZ-OE1 3.39Å; K189-E1117 PolarHBondContact NZ-OE1 3.04Å; S252-E1117 WeakPolarHBondContact O-CG 3.32Å; E254-E1117 HydrophobicContact CB-CG 4.35Å; M1113-E1117 WeakPolarHBondContact CA-OE2 3.36Å; M1113-E1117 VanDerWaalsContact CB-OE2 3.24Å; M1113-E1117 WeakPolarHBondContact CB-OE2 3.4Å; T1114-E1117 WeakPolarHBondContact CG2-OE1 3Å; T1114-E1117 PolarHBondContact N-OE2 2.87Å; T1114-E1117 PolarHBondContact O-N 3.34Å; T1114-E1117 WeakPolarHBondContact OG1-CG 3.5Å; T1114-E1117 PolarHBondContact OG1-OE1 3.44Å; E1117-K1119 PolarHBondContact O-N 3.24Å; E1117-F1120 WeakPolarHBondContact O-CB 3.45Å; E1117-F1120 PolarHBondContact O-N 3.3Å; E1117-A1121 PolarHBondContact O-N 3.49Å | ||
| 1118 | I | 84.4 | Confident | 87.6 | Confident | 22 Ų | 22 | 32 Ų | 32 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -34.7 | 174 | -65.8 | 176.6 | 0 | 0 | 0 | 110.1 | T251 Q848 F1120 A1121 V1122 | T251-I1118 HydrophobicContact CG2-CB 4.03Å; T251-I1118 HydrophobicContact CG2-CG2 4.01Å; T251-I1118 PolarHBondContact O-N 3.13Å; Q848-I1118 HydrophobicContact CB-CD1 4.28Å; Q848-I1118 HydrophobicContact CG-CD1 3.72Å; I1118-F1120 PolarHBondContact O-N 3.05Å; I1118-A1121 PolarHBondContact O-N 3.27Å; I1118-V1122 HydrophobicContact CG2-CG2 3.76Å; I1118-V1122 WeakPolarHBondContact O-CG2 3.31Å; I1118-V1122 PolarHBondContact O-N 3.34Å |
| 1119 | K | 86.1 | Confident | 87.4 | Confident | 63 Ų | 63 | 30.6 Ų | 30.6 | 27% | 0.274 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -52.1 | -41.3 | 176.6 | -164 | 177.6 | -176.6 | 175.5 | 0 | 111.8 | D188 T251 M1113 E1117 H1123 | D188-K1119 IonicContact OD2-NZ 2.66Å; D188-K1119 PolarHBondContact OD2-NZ 3.4Å; T251-K1119 HydrophobicContact CG2-CB 4.29Å; T251-K1119 PolarHBondContact O-N 3.09Å; T251-K1119 VanDerWaalsContact O-N 3.13Å; M1113-K1119 HydrophobicContact CE-CD 3.96Å; M1113-K1119 HydrophobicContact CE-CG 3.81Å; M1113-K1119 HydrophobicContact SD-CB 4.13Å; M1113-K1119 HydrophobicContact SD-CD 4.33Å; M1113-K1119 HydrophobicContact SD-CG 3.91Å; E1117-K1119 PolarHBondContact O-N 3.24Å; K1119-H1123 WeakPolarHBondContact O-CB 3.23Å; K1119-H1123 PolarHBondContact O-N 3.09Å; K1119-H1123 VanDerWaalsContact O-N 3.11Å |
| 1120 | F | 90.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -47.7 | 176 | 177.6 | -97.8 | 0 | 0 | 0 | 111.8 | Y1085 V1088 W1089 L1092 T1109 M1113 E1117 I1118 V1122 H1123 V1124 | Y1085-F1120 VanDerWaalsContact O-CE1 3.31Å; Y1085-F1120 WeakPolarHBondContact O-CE1 3.44Å; V1088-F1120 HydrophobicContact CB-CE1 4.49Å; V1088-F1120 HydrophobicContact CG1-CZ 4.16Å; W1089-F1120 HydrophobicContact CB-CD1 4.29Å; W1089-F1120 HydrophobicContact CB-CE1 3.63Å; W1089-F1120 HydrophobicContact CB-CE2 4.35Å; W1089-F1120 HydrophobicContact CB-CZ 3.65Å; W1089-F1120 AromaticContact CD1-CD2 3.84Å; W1089-F1120 AromaticContact CD1-CE2 3.73Å; W1089-F1120 AromaticContact CD1-CZ 3.91Å; W1089-F1120 HydrophobicContact CG-CE1 4.35Å; W1089-F1120 HydrophobicContact CG-CE2 4.41Å; W1089-F1120 HydrophobicContact CG-CZ 4.18Å; L1092-F1120 HydrophobicContact CD1-CE2 3.83Å; L1092-F1120 HydrophobicContact CD1-CZ 3.79Å; T1109-F1120 HydrophobicContact CG2-CD2 3.86Å; T1109-F1120 HydrophobicContact CG2-CE2 4.02Å; M1113-F1120 HydrophobicContact CB-CB 4.04Å; M1113-F1120 HydrophobicContact CB-CD2 4.42Å; M1113-F1120 VanDerWaalsContact SD-CA 3.52Å; M1113-F1120 HydrophobicContact SD-CB 3.95Å; M1113-F1120 HydrophobicContact SD-CD2 4.46Å; M1113-F1120 PolarHBondContact SD-N 2.88Å; E1117-F1120 WeakPolarHBondContact O-CB 3.45Å; E1117-F1120 PolarHBondContact O-N 3.3Å; I1118-F1120 PolarHBondContact O-N 3.05Å; F1120-V1122 PolarHBondContact O-N 3.36Å; F1120-H1123 WeakPolarHBondContact O-CB 3.45Å; F1120-H1123 PolarHBondContact O-N 2.86Å; F1120-H1123 VanDerWaalsContact O-N 3.12Å; F1120-V1124 HydrophobicContact CD1-CG2 4.19Å; F1120-V1124 HydrophobicContact CE1-CG2 3.61Å; F1120-V1124 HydrophobicContact CE2-CG2 4.21Å; F1120-V1124 HydrophobicContact CZ-CG2 3.63Å; F1120-V1124 WeakPolarHBondContact O-CG2 3.45Å; F1120-V1124 PolarHBondContact O-N 2.94Å |
| 1121 | A | 88.7 | Confident | 87 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L913 Y1085 E1117 I1118 H1123 V1124 E1125 | L913-A1121 HydrophobicContact CD1-CB 3.48Å; L913-A1121 VanDerWaalsContact CD1-CB 3.48Å; Y1085-A1121 HydrophobicContact CD1-CB 3.63Å; Y1085-A1121 HydrophobicContact CD2-CB 3.79Å; Y1085-A1121 HydrophobicContact CE1-CB 3.96Å; Y1085-A1121 VanDerWaalsContact CE1-O 3.3Å; Y1085-A1121 WeakPolarHBondContact CE1-O 3.3Å; Y1085-A1121 HydrophobicContact CE2-CB 4.13Å; Y1085-A1121 HydrophobicContact CG-CB 3.51Å; E1117-A1121 PolarHBondContact O-N 3.49Å; I1118-A1121 PolarHBondContact O-N 3.27Å; A1121-H1123 VanDerWaalsContact C-N 3.31Å; A1121-H1123 PolarHBondContact O-N 2.82Å; A1121-V1124 PolarHBondContact O-N 3.18Å; A1121-E1125 PolarHBondContact O-N 3.47Å |
| 1122 | V | 86.3 | Confident | 86.6 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 16% | 0.164 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | I1118 F1120 E1125 S1126 | I1118-V1122 HydrophobicContact CG2-CG2 3.76Å; I1118-V1122 WeakPolarHBondContact O-CG2 3.31Å; I1118-V1122 PolarHBondContact O-N 3.34Å; F1120-V1122 PolarHBondContact O-N 3.36Å; V1122-E1125 PolarHBondContact O-N 2.93Å; V1122-S1126 WeakPolarHBondContact O-CB 3.4Å; V1122-S1126 PolarHBondContact O-N 3.42Å |
| 1123 | H | 88.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 32 Ų | 32 | 32% | 0.324 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.6 | -170.2 | 57.3 | 0 | 0 | 0 | 112 | L1105 K1119 F1120 A1121 E1125 S1126 V1127 | L1105-H1123 WeakPolarHBondContact CD1-CD2 3.4Å; L1105-H1123 WeakPolarHBondContact CD1-NE2 3.48Å; K1119-H1123 WeakPolarHBondContact O-CB 3.23Å; K1119-H1123 PolarHBondContact O-N 3.09Å; K1119-H1123 VanDerWaalsContact O-N 3.11Å; F1120-H1123 WeakPolarHBondContact O-CB 3.45Å; F1120-H1123 PolarHBondContact O-N 2.86Å; F1120-H1123 VanDerWaalsContact O-N 3.12Å; A1121-H1123 VanDerWaalsContact C-N 3.31Å; A1121-H1123 PolarHBondContact O-N 2.82Å; H1123-E1125 VanDerWaalsContact C-N 3.32Å; H1123-E1125 PolarHBondContact O-N 2.92Å; H1123-S1126 WeakPolarHBondContact O-CB 3.48Å; H1123-S1126 PolarHBondContact O-N 2.9Å; H1123-V1127 PolarHBondContact O-N 2.98Å |
| 1124 | V | 90.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | F1084 Y1085 V1088 L1105 F1120 A1121 S1126 V1127 L1128 | F1084-V1124 HydrophobicContact CE1-CG1 4.05Å; Y1085-V1124 HydrophobicContact CD1-CB 3.91Å; Y1085-V1124 HydrophobicContact CD1-CG1 4.03Å; Y1085-V1124 HydrophobicContact CD1-CG2 4.32Å; Y1085-V1124 HydrophobicContact CE1-CB 4.09Å; Y1085-V1124 HydrophobicContact CE1-CG1 4.13Å; V1088-V1124 HydrophobicContact CG1-CG1 4.24Å; V1088-V1124 HydrophobicContact CG1-CG2 3.93Å; L1105-V1124 HydrophobicContact CD2-CG2 3.9Å; F1120-V1124 HydrophobicContact CD1-CG2 4.19Å; F1120-V1124 HydrophobicContact CE1-CG2 3.61Å; F1120-V1124 HydrophobicContact CE2-CG2 4.21Å; F1120-V1124 HydrophobicContact CZ-CG2 3.63Å; F1120-V1124 WeakPolarHBondContact O-CG2 3.45Å; F1120-V1124 PolarHBondContact O-N 2.94Å; A1121-V1124 PolarHBondContact O-N 3.18Å; V1124-S1126 VanDerWaalsContact C-N 3.34Å; V1124-S1126 PolarHBondContact O-N 3.38Å; V1124-V1127 PolarHBondContact O-N 3.11Å; V1124-L1128 HydrophobicContact CG1-CD1 4.19Å; V1124-L1128 PolarHBondContact O-N 3.2Å; V1124-L1128 VanDerWaalsContact O-N 3.11Å |
| 1125 | E | 88.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -37.3 | 179.8 | -155.3 | -162 | 126.4 | 0 | 0 | 112.2 | L913 R914 N1078 A1121 V1122 H1123 V1127 L1128 N1129 | L913-E1125 WeakPolarHBondContact CB-OE2 3.43Å; R914-E1125 WeakPolarHBondContact CB-OE1 2.88Å; N1078-E1125 HydrophobicContact CB-CG 4.4Å; N1078-E1125 PolarHBondContact ND2-OE1 3.1Å; A1121-E1125 PolarHBondContact O-N 3.47Å; V1122-E1125 PolarHBondContact O-N 2.93Å; H1123-E1125 VanDerWaalsContact C-N 3.32Å; H1123-E1125 PolarHBondContact O-N 2.92Å; E1125-V1127 PolarHBondContact O-N 2.87Å; E1125-L1128 PolarHBondContact O-N 3.34Å; E1125-N1129 VanDerWaalsContact O-CB 3.23Å; E1125-N1129 WeakPolarHBondContact O-CB 3.36Å; E1125-N1129 VanDerWaalsContact O-CG 3.31Å; E1125-N1129 PolarHBondContact O-N 2.86Å; E1125-N1129 PolarHBondContact O-ND2 3.34Å; E1125-N1129 VanDerWaalsContact O-ND2 3.09Å; E1125-N1129 PolarHBondContact OE1-ND2 3.33Å |
| 1126 | S | 85.9 | Confident | 86.5 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 32% | 0.315 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.4 | -31.9 | 175.3 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | V1122 H1123 V1124 | V1122-S1126 WeakPolarHBondContact O-CB 3.4Å; V1122-S1126 PolarHBondContact O-N 3.42Å; H1123-S1126 WeakPolarHBondContact O-CB 3.48Å; H1123-S1126 PolarHBondContact O-N 2.9Å; V1124-S1126 VanDerWaalsContact C-N 3.34Å; V1124-S1126 PolarHBondContact O-N 3.38Å |
| 1127 | V | 88.7 | Confident | 86.7 | Confident | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74 | -47.2 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | I1100 H1123 V1124 E1125 N1129 R1130 | I1100-V1127 HydrophobicContact CB-CG1 3.87Å; I1100-V1127 HydrophobicContact CD1-CG1 3.94Å; I1100-V1127 HydrophobicContact CG1-CG1 4.29Å; H1123-V1127 PolarHBondContact O-N 2.98Å; V1124-V1127 PolarHBondContact O-N 3.11Å; E1125-V1127 PolarHBondContact O-N 2.87Å; V1127-N1129 VanDerWaalsContact C-N 3.26Å; V1127-N1129 PolarHBondContact O-N 3.23Å; V1127-R1130 WeakPolarHBondContact O-CB 3.47Å; V1127-R1130 PolarHBondContact O-N 2.79Å |
| 1128 | L | 88.2 | Confident | 86.8 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -35.2 | 177 | -72.7 | 168.1 | 0 | 0 | 0 | 112.9 | F1084 I1100 V1124 E1125 R1130 V1131 R1137 V1141 I1144 | F1084-L1128 HydrophobicContact CE1-CD1 4.1Å; F1084-L1128 HydrophobicContact CZ-CD1 4.29Å; I1100-L1128 HydrophobicContact CD1-CD2 3.86Å; I1100-L1128 HydrophobicContact CD1-CG 4.32Å; V1124-L1128 HydrophobicContact CG1-CD1 4.19Å; V1124-L1128 PolarHBondContact O-N 3.2Å; V1124-L1128 VanDerWaalsContact O-N 3.11Å; E1125-L1128 PolarHBondContact O-N 3.34Å; L1128-R1130 PolarHBondContact O-N 3.34Å; L1128-V1131 WeakPolarHBondContact O-CB 3.4Å; L1128-V1131 PolarHBondContact O-N 3.32Å; L1128-R1137 HydrophobicContact CB-CG 4.43Å; L1128-R1137 WeakPolarHBondContact O-CD 3.5Å; L1128-R1137 PolarHBondContact O-NE 2.85Å; L1128-V1141 HydrophobicContact CD1-CG2 4.2Å; L1128-V1141 HydrophobicContact CD2-CG2 4.32Å; L1128-I1144 HydrophobicContact CD2-CD1 4.01Å |
| 1129 | N | 82.8 | Confident | 87.2 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.08 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.3 | -177.7 | -87.8 | -42.8 | 0 | 0 | 0 | 114.8 | R916 N1078 E1125 V1127 V1131 | R916-N1129 PolarHBondContact NH1-OD1 3.33Å; N1078-N1129 PolarHBondContact ND2-ND2 2.9Å; N1078-N1129 PolarHBondContact ND2-OD1 3.14Å; N1078-N1129 PolarHBondContact OD1-OD1 2.82Å; E1125-N1129 VanDerWaalsContact O-CB 3.23Å; E1125-N1129 WeakPolarHBondContact O-CB 3.36Å; E1125-N1129 VanDerWaalsContact O-CG 3.31Å; E1125-N1129 PolarHBondContact O-N 2.86Å; E1125-N1129 PolarHBondContact O-ND2 3.34Å; E1125-N1129 VanDerWaalsContact O-ND2 3.09Å; E1125-N1129 PolarHBondContact OE1-ND2 3.33Å; V1127-N1129 VanDerWaalsContact C-N 3.26Å; V1127-N1129 PolarHBondContact O-N 3.23Å; N1129-V1131 PolarHBondContact O-N 2.78Å |
| 1130 | R | 82.2 | Confident | 87.5 | Confident | 120 Ų | 120 | 24.8 Ų | 24.8 | 45% | 0.453 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -28.2 | 175.8 | -64.1 | -170 | 171.9 | -178.1 | -5.9 | 112.3 | Y1103 V1127 L1128 P1132 | Y1103-R1130 HydrophobicContact CD2-CB 4.38Å; Y1103-R1130 HydrophobicContact CD2-CG 4.46Å; Y1103-R1130 HydrophobicContact CE2-CB 4.43Å; Y1103-R1130 HydrophobicContact CE2-CG 4.49Å; V1127-R1130 WeakPolarHBondContact O-CB 3.47Å; V1127-R1130 PolarHBondContact O-N 2.79Å; L1128-R1130 PolarHBondContact O-N 3.34Å; R1130-P1132 VanDerWaalsContact O-CD 3.26Å; R1130-P1132 WeakPolarHBondContact O-CD 3.48Å |
| 1131 | V | 84.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -68 | 114.1 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | I1100 D1101 L1128 N1129 Y1136 R1137 L1140 | I1100-V1131 HydrophobicContact CG2-CG2 4.04Å; D1101-V1131 HydrophobicContact CB-CG2 4.18Å; L1128-V1131 WeakPolarHBondContact O-CB 3.4Å; L1128-V1131 PolarHBondContact O-N 3.32Å; N1129-V1131 PolarHBondContact O-N 2.78Å; V1131-Y1136 HydrophobicContact CG1-CD1 3.55Å; V1131-Y1136 HydrophobicContact CG1-CE1 4.31Å; V1131-Y1136 HydrophobicContact CG1-CG 4.4Å; V1131-R1137 HydrophobicContact CB-CB 4.3Å; V1131-R1137 HydrophobicContact CB-CG 4.44Å; V1131-R1137 HydrophobicContact CG1-CB 4.1Å; V1131-R1137 VanDerWaalsContact O-CZ 3.32Å; V1131-R1137 PolarHBondContact O-NE 2.87Å; V1131-R1137 PolarHBondContact O-NH2 3.32Å; V1131-L1140 HydrophobicContact CB-CD1 4.38Å; V1131-L1140 HydrophobicContact CG1-CD1 4.15Å; V1131-L1140 HydrophobicContact CG2-CD1 3.55Å | ||
| 1132 | P | 78.5 | Confident | 87.8 | Confident | 78 Ų | 78 | 25.2 Ų | 25.2 | 51% | 0.506 | 13% | 0.13 | S | C | . | . | trans | -75.3 | -35.9 | -171.6 | 23 | -25.1 | 0 | 0 | 0 | 112.8 | R1130 P1134 | R1130-P1132 VanDerWaalsContact O-CD 3.26Å; R1130-P1132 WeakPolarHBondContact O-CD 3.48Å; P1132-P1134 WeakPolarHBondContact O-CD 3.41Å | ||
| 1133 | Q | 84.3 | Confident | 88.1 | Confident | 51 Ų | 51 | 24 Ų | 24 | 24% | 0.238 | 12% | 0.122 | C | C | . | . | trans | -78.7 | 118.7 | -177.7 | -57.1 | 81.1 | 4.4 | 0 | 0 | 111.2 | E1135 Y1136 R1137 T1194 | Q1133-E1135 PolarHBondContact O-N 2.85Å; Q1133-Y1136 PolarHBondContact O-N 2.91Å; Q1133-R1137 PolarHBondContact O-N 3.24Å; Q1133-T1194 HydrophobicContact CG-CG2 4.27Å | ||
| 1134 | P | 85.1 | Confident | 88.3 | Confident | 29 Ų | 29 | 20.7 Ų | 20.7 | 19% | 0.188 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | -175.9 | 24.1 | -31.3 | 0 | 0 | 0 | 112.8 | R1072 G1075 A1076 P1132 Y1136 R1137 Q1138 | R1072-P1134 HydrophobicContact CG-CG 4.46Å; G1075-P1134 WeakPolarHBondContact CA-O 3.49Å; A1076-P1134 HydrophobicContact CB-CB 4.14Å; P1132-P1134 WeakPolarHBondContact O-CD 3.41Å; P1134-Y1136 VanDerWaalsContact C-N 3.3Å; P1134-Y1136 PolarHBondContact O-N 3.46Å; P1134-R1137 WeakPolarHBondContact O-CB 3.45Å; P1134-R1137 PolarHBondContact O-N 3.27Å; P1134-Q1138 PolarHBondContact O-N 3.46Å |
| 1135 | E | 87.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.6 | -35.3 | 177.3 | 55.9 | -94.1 | -119 | 0 | 0 | 113 | L1068 R1071 R1072 Q1133 L1139 Y1201 | L1068-E1135 HydrophobicContact CD1-CB 3.95Å; L1068-E1135 HydrophobicContact CD1-CG 4.08Å; R1071-E1135 HydrophobicContact CB-CB 4.23Å; R1072-E1135 HydrophobicContact CG-CB 4.04Å; R1072-E1135 WeakPolarHBondContact CG-OE2 3.48Å; R1072-E1135 IonicContact CZ-OE1 4Å; R1072-E1135 VanDerWaalsContact CZ-OE1 3.29Å; R1072-E1135 IonicContact NE-OE1 2.84Å; R1072-E1135 PolarHBondContact NE-OE1 3.35Å; R1072-E1135 IonicContact NE-OE2 3.74Å; R1072-E1135 IonicContact NH2-OE1 2.95Å; R1072-E1135 PolarHBondContact NH2-OE1 3.31Å; Q1133-E1135 PolarHBondContact O-N 2.85Å; E1135-L1139 PolarHBondContact O-N 2.93Å; E1135-Y1201 HydrophobicContact CB-CD1 3.85Å; E1135-Y1201 HydrophobicContact CB-CE1 4.09Å; E1135-Y1201 HydrophobicContact CB-CG 4.47Å; E1135-Y1201 HydrophobicContact CG-CD1 3.85Å; E1135-Y1201 HydrophobicContact CG-CE1 3.79Å; E1135-Y1201 HydrophobicContact CG-CG 4.26Å |
| 1136 | Y | 91.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 21.6 Ų | 21.6 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -75.2 | -40.8 | 176.5 | -172.8 | -122.3 | 0 | 0 | 0 | 112 | V1131 Q1133 P1134 Q1138 L1139 L1140 V1168 T1194 I1196 Y1201 | V1131-Y1136 HydrophobicContact CG1-CD1 3.55Å; V1131-Y1136 HydrophobicContact CG1-CE1 4.31Å; V1131-Y1136 HydrophobicContact CG1-CG 4.4Å; Q1133-Y1136 PolarHBondContact O-N 2.91Å; P1134-Y1136 VanDerWaalsContact C-N 3.3Å; P1134-Y1136 PolarHBondContact O-N 3.46Å; Y1136-Q1138 PolarHBondContact O-N 3.03Å; Y1136-L1139 PolarHBondContact O-N 3.45Å; Y1136-L1139 VanDerWaalsContact O-N 3.08Å; Y1136-L1140 HydrophobicContact CD1-CD1 4.11Å; Y1136-L1140 HydrophobicContact CE1-CD1 3.88Å; Y1136-L1140 HydrophobicContact CE1-CG 4.37Å; Y1136-L1140 PolarHBondContact O-N 2.93Å; Y1136-V1168 HydrophobicContact CD2-CG1 4.39Å; Y1136-V1168 HydrophobicContact CE2-CB 4.35Å; Y1136-V1168 HydrophobicContact CE2-CG1 3.74Å; Y1136-T1194 HydrophobicContact CD1-CG2 4Å; Y1136-T1194 HydrophobicContact CD2-CG2 4.25Å; Y1136-T1194 HydrophobicContact CG-CG2 3.84Å; Y1136-I1196 HydrophobicContact CD2-CG1 3.96Å; Y1136-I1196 HydrophobicContact CE2-CD1 4.18Å; Y1136-I1196 HydrophobicContact CE2-CG1 3.8Å; Y1136-Y1201 HydrophobicContact CD2-CE1 4.36Å |
| 1137 | R | 90.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53.3 | -42.1 | 171.7 | -167 | -175.1 | -56.1 | 138 | 7.4 | 111.2 | G1075 N1078 L1128 V1131 Q1133 P1134 L1140 V1141 | G1075-R1137 PolarHBondContact O-NH1 3.3Å; N1078-R1137 VanDerWaalsContact OD1-CD 3.31Å; N1078-R1137 WeakPolarHBondContact OD1-CD 3.39Å; N1078-R1137 PolarHBondContact OD1-NH1 3.45Å; L1128-R1137 HydrophobicContact CB-CG 4.43Å; L1128-R1137 WeakPolarHBondContact O-CD 3.5Å; L1128-R1137 PolarHBondContact O-NE 2.85Å; V1131-R1137 HydrophobicContact CB-CB 4.3Å; V1131-R1137 HydrophobicContact CB-CG 4.44Å; V1131-R1137 HydrophobicContact CG1-CB 4.1Å; V1131-R1137 VanDerWaalsContact O-CZ 3.32Å; V1131-R1137 PolarHBondContact O-NE 2.87Å; V1131-R1137 PolarHBondContact O-NH2 3.32Å; Q1133-R1137 PolarHBondContact O-N 3.24Å; P1134-R1137 WeakPolarHBondContact O-CB 3.45Å; P1134-R1137 PolarHBondContact O-N 3.27Å; R1137-L1140 WeakPolarHBondContact O-CB 3.36Å; R1137-L1140 PolarHBondContact O-N 3.37Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.3Å; R1137-V1141 PolarHBondContact O-N 3.41Å |
| 1138 | Q | 91.1 | Very high | 88.2 | Confident | 22 Ų | 22 | 19.3 Ų | 19.3 | 10% | 0.103 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 178.5 | -166.9 | 63.8 | -2.6 | 0 | 0 | 113.4 | R1071 P1134 Y1136 L1140 V1141 E1142 | R1071-Q1138 HydrophobicContact CB-CB 4.06Å; R1071-Q1138 HydrophobicContact CB-CG 4.2Å; R1071-Q1138 HydrophobicContact CG-CB 4.21Å; R1071-Q1138 HydrophobicContact CG-CG 3.95Å; P1134-Q1138 PolarHBondContact O-N 3.46Å; Y1136-Q1138 PolarHBondContact O-N 3.03Å; Q1138-L1140 VanDerWaalsContact C-N 3.3Å; Q1138-L1140 PolarHBondContact O-N 2.97Å; Q1138-V1141 WeakPolarHBondContact O-CB 3.29Å; Q1138-V1141 PolarHBondContact O-N 2.77Å; Q1138-E1142 WeakPolarHBondContact O-CG 3.37Å; Q1138-E1142 PolarHBondContact O-N 3.31Å |
| 1139 | L | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | 172 | -71 | -178 | 0 | 0 | 0 | 112.5 | E1135 Y1136 E1142 A1143 V1168 I1196 F1200 Y1201 T1211 | E1135-L1139 PolarHBondContact O-N 2.93Å; Y1136-L1139 PolarHBondContact O-N 3.45Å; Y1136-L1139 VanDerWaalsContact O-N 3.08Å; L1139-E1142 PolarHBondContact O-N 3.01Å; L1139-A1143 WeakPolarHBondContact O-CB 3.21Å; L1139-A1143 PolarHBondContact O-N 3.45Å; L1139-V1168 HydrophobicContact CB-CG1 4.04Å; L1139-V1168 HydrophobicContact CD1-CG1 4.19Å; L1139-I1196 HydrophobicContact CD1-CG2 4.2Å; L1139-F1200 HydrophobicContact CD1-CD1 3.9Å; L1139-F1200 HydrophobicContact CD1-CE1 4.05Å; L1139-F1200 HydrophobicContact CD2-CE1 4.33Å; L1139-Y1201 HydrophobicContact CD1-CD1 3.54Å; L1139-Y1201 HydrophobicContact CD1-CE1 3.45Å; L1139-Y1201 VanDerWaalsContact CD1-CE1 3.45Å; L1139-Y1201 HydrophobicContact CG-CD1 4.2Å; L1139-Y1201 HydrophobicContact CG-CE1 4.24Å; L1139-T1211 HydrophobicContact CD2-CG2 4.18Å |
| 1140 | L | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 173.9 | -66.4 | 164.4 | 0 | 0 | 0 | 111.4 | I1100 V1131 Y1136 R1137 Q1138 A1143 I1144 V1164 V1168 | I1100-L1140 HydrophobicContact CG2-CD1 3.99Å; V1131-L1140 HydrophobicContact CB-CD1 4.38Å; V1131-L1140 HydrophobicContact CG1-CD1 4.15Å; V1131-L1140 HydrophobicContact CG2-CD1 3.55Å; Y1136-L1140 HydrophobicContact CD1-CD1 4.11Å; Y1136-L1140 HydrophobicContact CE1-CD1 3.88Å; Y1136-L1140 HydrophobicContact CE1-CG 4.37Å; Y1136-L1140 PolarHBondContact O-N 2.93Å; R1137-L1140 WeakPolarHBondContact O-CB 3.36Å; R1137-L1140 PolarHBondContact O-N 3.37Å; Q1138-L1140 VanDerWaalsContact C-N 3.3Å; Q1138-L1140 PolarHBondContact O-N 2.97Å; L1140-A1143 PolarHBondContact O-N 3.26Å; L1140-I1144 VanDerWaalsContact O-CG1 3.25Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.42Å; L1140-I1144 PolarHBondContact O-N 3.43Å; L1140-V1164 HydrophobicContact CB-CG1 4.42Å; L1140-V1164 HydrophobicContact CD2-CB 4.25Å; L1140-V1164 HydrophobicContact CD2-CG1 3.72Å; L1140-V1168 HydrophobicContact CD2-CG2 3.82Å; L1140-V1168 HydrophobicContact CG-CG2 4.45Å |
| 1141 | V | 92.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | V1080 F1084 L1128 R1137 Q1138 A1143 I1144 M1145 | V1080-V1141 HydrophobicContact CB-CG1 4.43Å; V1080-V1141 HydrophobicContact CG1-CG1 4.02Å; V1080-V1141 HydrophobicContact CG1-CG2 4.14Å; F1084-V1141 HydrophobicContact CD2-CG1 4.4Å; F1084-V1141 HydrophobicContact CE2-CG1 3.97Å; F1084-V1141 HydrophobicContact CZ-CG1 4.37Å; L1128-V1141 HydrophobicContact CD1-CG2 4.2Å; L1128-V1141 HydrophobicContact CD2-CG2 4.32Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.3Å; R1137-V1141 PolarHBondContact O-N 3.41Å; Q1138-V1141 WeakPolarHBondContact O-CB 3.29Å; Q1138-V1141 PolarHBondContact O-N 2.77Å; V1141-A1143 VanDerWaalsContact C-N 3.32Å; V1141-A1143 PolarHBondContact O-N 2.94Å; V1141-I1144 PolarHBondContact O-N 2.69Å; V1141-M1145 WeakPolarHBondContact O-CG 3.44Å; V1141-M1145 PolarHBondContact O-N 3.18Å |
| 1142 | E | 92.3 | Very high | 86.4 | Confident | 14 Ų | 14 | 20.2 Ų | 20.2 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 175.2 | -71.4 | 178.2 | -150.8 | 0 | 0 | 111.6 | R1071 Q1138 L1139 M1145 V1146 T1211 M1212 L1215 | R1071-E1142 IonicContact CZ-OE1 2.94Å; R1071-E1142 IonicContact NE-OE1 2.88Å; R1071-E1142 PolarHBondContact NE-OE1 2.97Å; R1071-E1142 IonicContact NH2-OE1 3.81Å; R1071-E1142 PolarHBondContact NH2-OE1 2.95Å; R1071-E1142 VanDerWaalsContact NH2-OE1 3.1Å; R1071-E1142 IonicContact NH2-OE2 3.12Å; R1071-E1142 PolarHBondContact NH2-OE2 2.78Å; Q1138-E1142 WeakPolarHBondContact O-CG 3.37Å; Q1138-E1142 PolarHBondContact O-N 3.31Å; L1139-E1142 PolarHBondContact O-N 3.01Å; E1142-M1145 WeakPolarHBondContact O-CB 3.35Å; E1142-M1145 PolarHBondContact O-N 2.94Å; E1142-V1146 WeakPolarHBondContact O-CG2 3.38Å; E1142-V1146 PolarHBondContact O-N 2.75Å; E1142-V1146 VanDerWaalsContact O-N 3.11Å; E1142-T1211 WeakPolarHBondContact OE2-CB 3.41Å; E1142-T1211 PolarHBondContact OE2-OG1 3.29Å; E1142-M1212 HydrophobicContact CB-SD 3.94Å; E1142-M1212 HydrophobicContact CG-SD 4.34Å; E1142-L1215 HydrophobicContact CB-CD1 3.7Å |
| 1143 | A | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1139 L1140 V1141 M1145 V1146 L1147 V1164 I1167 V1168 L1215 | L1139-A1143 WeakPolarHBondContact O-CB 3.21Å; L1139-A1143 PolarHBondContact O-N 3.45Å; L1140-A1143 PolarHBondContact O-N 3.26Å; V1141-A1143 VanDerWaalsContact C-N 3.32Å; V1141-A1143 PolarHBondContact O-N 2.94Å; A1143-M1145 VanDerWaalsContact C-N 3.31Å; A1143-M1145 PolarHBondContact O-N 3.34Å; A1143-V1146 PolarHBondContact O-N 2.84Å; A1143-L1147 PolarHBondContact O-N 2.88Å; A1143-V1164 HydrophobicContact CB-CG1 3.88Å; A1143-I1167 HydrophobicContact CB-CG2 4.43Å; A1143-V1168 HydrophobicContact CB-CG2 3.72Å; A1143-L1215 HydrophobicContact CB-CD1 4.49Å; A1143-L1215 HydrophobicContact CB-CD2 3.8Å |
| 1144 | I | 92.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.1 | -67.3 | 164.4 | 0 | 0 | 0 | 110.4 | F1084 V1088 I1100 L1128 L1140 V1141 V1146 L1147 T1148 V1164 | F1084-I1144 HydrophobicContact CE2-CB 3.95Å; F1084-I1144 HydrophobicContact CE2-CG2 3.56Å; F1084-I1144 HydrophobicContact CZ-CB 4.14Å; F1084-I1144 HydrophobicContact CZ-CD1 4.25Å; F1084-I1144 HydrophobicContact CZ-CG2 3.7Å; V1088-I1144 HydrophobicContact CG2-CG2 3.61Å; I1100-I1144 HydrophobicContact CD1-CD1 3.79Å; L1128-I1144 HydrophobicContact CD2-CD1 4.01Å; L1140-I1144 VanDerWaalsContact O-CG1 3.25Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.42Å; L1140-I1144 PolarHBondContact O-N 3.43Å; V1141-I1144 PolarHBondContact O-N 2.69Å; I1144-V1146 VanDerWaalsContact C-N 3.31Å; I1144-V1146 PolarHBondContact O-N 3.06Å; I1144-L1147 WeakPolarHBondContact O-CB 3.3Å; I1144-L1147 PolarHBondContact O-N 3.35Å; I1144-T1148 HydrophobicContact CG2-CG2 4.16Å; I1144-T1148 WeakPolarHBondContact O-CG2 3.49Å; I1144-T1148 PolarHBondContact O-N 3.03Å; I1144-V1164 HydrophobicContact CD1-CG1 4.37Å; I1144-V1164 HydrophobicContact CG1-CG1 3.82Å; I1144-V1164 HydrophobicContact CG1-CG2 4.13Å |
| 1145 | M | 89.7 | Confident | 84.2 | Confident | 27 Ų | 27 | 28 Ų | 28 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 174.2 | -71.2 | 178.7 | 68.7 | 0 | 0 | 112 | I1000 P1081 F1084 V1141 E1142 A1143 T1148 L1149 | I1000-M1145 HydrophobicContact CD1-CE 4.06Å; P1081-M1145 HydrophobicContact CB-CE 4.2Å; P1081-M1145 HydrophobicContact CB-SD 4.45Å; P1081-M1145 HydrophobicContact CG-CE 3.53Å; P1081-M1145 HydrophobicContact CG-CG 4.04Å; P1081-M1145 HydrophobicContact CG-SD 3.23Å; P1081-M1145 WeakPolarHBondContact CG-SD 3.37Å; F1084-M1145 HydrophobicContact CD2-CG 4.2Å; F1084-M1145 HydrophobicContact CE2-CG 4.39Å; V1141-M1145 WeakPolarHBondContact O-CG 3.44Å; V1141-M1145 PolarHBondContact O-N 3.18Å; E1142-M1145 WeakPolarHBondContact O-CB 3.35Å; E1142-M1145 PolarHBondContact O-N 2.94Å; A1143-M1145 VanDerWaalsContact C-N 3.31Å; A1143-M1145 PolarHBondContact O-N 3.34Å; M1145-T1148 PolarHBondContact O-N 2.81Å; M1145-T1148 PolarHBondContact O-OG1 3.46Å; M1145-L1149 PolarHBondContact O-N 3.05Å |
| 1146 | V | 89.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | E1142 A1143 I1144 T1148 L1149 M1212 L1215 V1219 | E1142-V1146 WeakPolarHBondContact O-CG2 3.38Å; E1142-V1146 PolarHBondContact O-N 2.75Å; E1142-V1146 VanDerWaalsContact O-N 3.11Å; A1143-V1146 PolarHBondContact O-N 2.84Å; I1144-V1146 VanDerWaalsContact C-N 3.31Å; I1144-V1146 PolarHBondContact O-N 3.06Å; V1146-T1148 PolarHBondContact O-N 2.94Å; V1146-L1149 VanDerWaalsContact O-CB 3.3Å; V1146-L1149 WeakPolarHBondContact O-CB 3.26Å; V1146-L1149 PolarHBondContact O-N 3.21Å; V1146-L1149 VanDerWaalsContact O-N 3.07Å; V1146-M1212 HydrophobicContact CG2-CE 3.4Å; V1146-M1212 VanDerWaalsContact CG2-CE 3.4Å; V1146-M1212 HydrophobicContact CG2-SD 3.82Å; V1146-L1215 HydrophobicContact CG2-CB 4.09Å; V1146-V1219 HydrophobicContact CB-CG2 4.4Å; V1146-V1219 HydrophobicContact CG1-CB 4.22Å; V1146-V1219 HydrophobicContact CG1-CG2 3.86Å |
| 1147 | L | 88.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -37.7 | 175 | -74.4 | 170.2 | 0 | 0 | 0 | 112 | A1143 I1144 L1149 L1150 I1162 V1164 I1167 V1219 | A1143-L1147 PolarHBondContact O-N 2.88Å; I1144-L1147 WeakPolarHBondContact O-CB 3.3Å; I1144-L1147 PolarHBondContact O-N 3.35Å; L1147-L1149 PolarHBondContact O-N 3.35Å; L1147-L1150 HydrophobicContact CD2-CD1 4.01Å; L1147-L1150 WeakPolarHBondContact O-CB 3.33Å; L1147-L1150 WeakPolarHBondContact O-CD1 3.44Å; L1147-L1150 VanDerWaalsContact O-CG 3.29Å; L1147-L1150 WeakPolarHBondContact O-CG 3.4Å; L1147-L1150 PolarHBondContact O-N 2.88Å; L1147-I1162 HydrophobicContact CD1-CG2 3.93Å; L1147-I1162 HydrophobicContact CD2-CG2 4.14Å; L1147-V1164 HydrophobicContact CD1-CG2 4.21Å; L1147-I1167 HydrophobicContact CD1-CD1 3.93Å; L1147-I1167 HydrophobicContact CD2-CD1 3.99Å; L1147-I1167 HydrophobicContact CG-CD1 4.27Å; L1147-V1219 HydrophobicContact CD2-CB 4.47Å; L1147-V1219 HydrophobicContact CD2-CG1 3.75Å; L1147-V1219 HydrophobicContact CD2-CG2 3.89Å; L1147-V1219 HydrophobicContact CG-CG2 4.07Å |
| 1148 | T | 83.8 | Confident | 81.6 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -18.6 | 180 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | R1087 I1091 I1144 M1145 V1146 L1150 S1151 | R1087-T1148 HydrophobicContact CB-CG2 3.71Å; I1091-T1148 HydrophobicContact CG2-CG2 4.47Å; I1144-T1148 HydrophobicContact CG2-CG2 4.16Å; I1144-T1148 WeakPolarHBondContact O-CG2 3.49Å; I1144-T1148 PolarHBondContact O-N 3.03Å; M1145-T1148 PolarHBondContact O-N 2.81Å; M1145-T1148 PolarHBondContact O-OG1 3.46Å; V1146-T1148 PolarHBondContact O-N 2.94Å; T1148-L1150 PolarHBondContact O-N 3.08Å; T1148-S1151 WeakPolarHBondContact O-CB 3.49Å; T1148-S1151 PolarHBondContact O-N 2.93Å; T1148-S1151 PolarHBondContact O-OG 3.01Å |
| 1149 | L | 81.6 | Confident | 80.7 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.4 | -20.8 | 171.8 | -61.5 | 172.6 | 0 | 0 | 0 | 111.9 | M1007 M1145 V1146 L1147 S1151 | M1007-L1149 HydrophobicContact CE-CB 4.01Å; M1007-L1149 HydrophobicContact SD-CB 3.85Å; M1007-L1149 HydrophobicContact SD-CD1 3.5Å; M1007-L1149 WeakPolarHBondContact SD-CD1 3.23Å; M1007-L1149 HydrophobicContact SD-CG 4.32Å; M1145-L1149 PolarHBondContact O-N 3.05Å; V1146-L1149 VanDerWaalsContact O-CB 3.3Å; V1146-L1149 WeakPolarHBondContact O-CB 3.26Å; V1146-L1149 PolarHBondContact O-N 3.21Å; V1146-L1149 VanDerWaalsContact O-N 3.07Å; L1147-L1149 PolarHBondContact O-N 3.35Å; L1149-S1151 VanDerWaalsContact C-N 3.34Å |
| 1150 | L | 77.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -78 | -16.9 | 174.1 | -51.5 | 164 | 0 | 0 | 0 | 112.7 | M1007 I1091 K1094 L1147 T1148 D1152 T1153 I1158 V1219 L1223 | M1007-L1150 HydrophobicContact CE-CD2 3.83Å; M1007-L1150 HydrophobicContact CE-CG 4.43Å; I1091-L1150 HydrophobicContact CD1-CB 4.19Å; K1094-L1150 PolarHBondContact NZ-O 3.03Å; L1147-L1150 HydrophobicContact CD2-CD1 4.01Å; L1147-L1150 WeakPolarHBondContact O-CB 3.33Å; L1147-L1150 WeakPolarHBondContact O-CD1 3.44Å; L1147-L1150 VanDerWaalsContact O-CG 3.29Å; L1147-L1150 WeakPolarHBondContact O-CG 3.4Å; L1147-L1150 PolarHBondContact O-N 2.88Å; T1148-L1150 PolarHBondContact O-N 3.08Å; L1150-D1152 PolarHBondContact O-N 3.02Å; L1150-T1153 PolarHBondContact O-N 3.31Å; L1150-T1153 PolarHBondContact O-OG1 2.7Å; L1150-I1158 HydrophobicContact CB-CD1 4.47Å; L1150-V1219 HydrophobicContact CD1-CG1 4Å; L1150-L1223 HydrophobicContact CD1-CD1 3.4Å; L1150-L1223 VanDerWaalsContact CD1-CD1 3.4Å; L1150-L1223 HydrophobicContact CD1-CD2 4.3Å; L1150-L1223 HydrophobicContact CD1-CG 4.41Å; L1150-L1223 HydrophobicContact CD2-CD1 3.95Å; L1150-L1223 HydrophobicContact CG-CD1 4.31Å |
| 1151 | S | 71.3 | Confident | 80 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -65.1 | -25.4 | 176.3 | 73.3 | 0 | 0 | 0 | 0 | 111.8 | K1094 T1148 L1149 T1153 | K1094-S1151 WeakPolarHBondContact CE-O 3.44Å; K1094-S1151 PolarHBondContact NZ-O 2.82Å; T1148-S1151 WeakPolarHBondContact O-CB 3.49Å; T1148-S1151 PolarHBondContact O-N 2.93Å; T1148-S1151 PolarHBondContact O-OG 3.01Å; L1149-S1151 VanDerWaalsContact C-N 3.34Å; S1151-T1153 VanDerWaalsContact C-N 3.35Å |
| 1152 | D | 70 | Confident | 80 | Confident | 93 Ų | 93 | 40.7 Ų | 40.7 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -83.3 | -4.4 | 179.4 | -73.8 | 1 | 0 | 0 | 0 | 113.8 | R1004 L1150 | R1004-D1152 IonicContact CZ-OD2 3.35Å; R1004-D1152 IonicContact NE-OD2 3.96Å; R1004-D1152 IonicContact NH2-OD2 3.14Å; R1004-D1152 PolarHBondContact NH2-OD2 2.99Å; L1150-D1152 PolarHBondContact O-N 3.02Å |
| 1153 | T | 71.4 | Confident | 79.9 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.4 | 153.5 | 178.5 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | K1094 L1150 S1151 M1155 | K1094-T1153 PolarHBondContact NZ-O 3.48Å; L1150-T1153 PolarHBondContact O-N 3.31Å; L1150-T1153 PolarHBondContact O-OG1 2.7Å; S1151-T1153 VanDerWaalsContact C-N 3.35Å; T1153-M1155 PolarHBondContact O-N 3.45Å |
| 1154 | E | 63.6 | Low | 79.9 | Confident | 200 Ų | 200 | 42.9 Ų | 42.9 | 94% | 0.935 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -70.8 | 7.3 | -178.7 | -65.1 | -175.8 | 174.9 | 0 | 0 | 114.4 | T1156 | E1154-T1156 PolarHBondContact O-N 3.37Š|
| 1155 | M | 66.9 | Low | 79.9 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | trans | -66.7 | 128.7 | 177.9 | -71 | -179.6 | 161.3 | 0 | 0 | 111.3 | K1094 T1153 | K1094-M1155 PolarHBondContact NZ-O 3.44Å; T1153-M1155 PolarHBondContact O-N 3.45Å | ||
| 1156 | T | 64.5 | Low | 79.9 | Confident | 141 Ų | 141 | 46.4 Ų | 46.4 | 87% | 0.865 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -77.5 | -32.3 | -178 | 51 | 0 | 0 | 0 | 0 | 113 | E1154 | E1154-T1156 PolarHBondContact O-N 3.37Š|
| 1157 | S | 74.1 | Confident | 80.1 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | trans | -156 | 138.4 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | K1094 G1159 | K1094-S1157 CarbonylContact O-C 3.36Å; K1094-S1157 WeakPolarHBondContact O-CA 3.44Å; K1094-S1157 PolarHBondContact O-OG 3.38Å; S1157-G1159 PolarHBondContact OG-N 3.41Å | ||
| 1158 | I | 75.5 | Confident | 80.4 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | trans | -83.9 | -25.5 | 170.9 | -63.2 | 169.8 | 0 | 0 | 0 | 110.4 | I1091 K1094 L1150 I1162 L1223 | I1091-I1158 HydrophobicContact CD1-CD1 3.35Å; I1091-I1158 HydrophobicContact CG1-CD1 4.43Å; K1094-I1158 HydrophobicContact CB-CD1 4.14Å; K1094-I1158 HydrophobicContact CB-CG1 4.22Å; K1094-I1158 PolarHBondContact O-N 3.02Å; L1150-I1158 HydrophobicContact CB-CD1 4.47Å; I1158-I1162 HydrophobicContact CD1-CD1 4.49Å; I1158-I1162 HydrophobicContact CG2-CD1 4Å; I1158-L1223 HydrophobicContact CG2-CD2 3.5Å | ||
| 1159 | G | 72.3 | Confident | 80.7 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | trans | 70.4 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1157 | S1157-G1159 PolarHBondContact OG-N 3.41Š| ||
| 1160 | G | 83.1 | Confident | 81.2 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 56.6 | 179.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | H1096 | H1096-G1160 VanDerWaalsContact CB-O 3.26Å; H1096-G1160 WeakPolarHBondContact CB-O 3.45Å; H1096-G1160 PolarHBondContact N-O 2.85Å; H1096-G1160 WeakPolarHBondContact ND1-CA 3.29Å; H1096-G1160 PolarHBondContact ND1-N 3.44Å; H1096-G1160 PolarHBondContact ND1-O 3.25Å |
| 1161 | I | 88.6 | Confident | 82 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.5 | 163.3 | -65.3 | 171.3 | 0 | 0 | 0 | 106.2 | H1096 G1097 V1104 H1163 | H1096-I1161 HydrophobicContact CB-CG1 4.22Å; G1097-I1161 WeakPolarHBondContact O-CA 3.18Å; V1104-I1161 HydrophobicContact CG1-CD1 4.23Å; V1104-I1161 HydrophobicContact CG1-CG2 4.29Å; V1104-I1161 HydrophobicContact CG2-CD1 4.22Å; V1104-I1161 HydrophobicContact CG2-CG2 4.28Å; I1161-H1163 PolarHBondContact O-CD2 3.41Å |
| 1162 | I | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.1 | 179.4 | -56.5 | 174.3 | 0 | 0 | 0 | 108.5 | C1095 G1097 L1098 S1099 L1147 I1158 V1164 I1167 L1226 | C1095-I1162 HydrophobicContact CB-CD1 3.97Å; C1095-I1162 HydrophobicContact CB-CG1 4.24Å; G1097-I1162 PolarHBondContact O-N 3.1Å; L1098-I1162 HydrophobicContact CD2-CB 3.94Å; L1098-I1162 HydrophobicContact CD2-CD1 4.14Å; L1098-I1162 HydrophobicContact CD2-CG1 4.47Å; L1098-I1162 HydrophobicContact CD2-CG2 4.49Å; S1099-I1162 PolarHBondContact N-O 3.27Å; L1147-I1162 HydrophobicContact CD1-CG2 3.93Å; L1147-I1162 HydrophobicContact CD2-CG2 4.14Å; I1158-I1162 HydrophobicContact CD1-CD1 4.49Å; I1158-I1162 HydrophobicContact CG2-CD1 4Å; I1162-V1164 PolarHBondContact O-N 3.24Å; I1162-I1167 HydrophobicContact CG2-CD1 3.75Å; I1162-L1226 HydrophobicContact CG1-CD1 4.25Å |
| 1163 | H | 91.7 | Very high | 83.9 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 100.8 | 179.5 | -67 | -88.7 | 0 | 0 | 0 | 110.4 | S1099 I1161 Q1166 I1167 | S1099-H1163 WeakPolarHBondContact CB-ND1 3.45Å; S1099-H1163 PolarHBondContact OG-ND1 3.36Å; I1161-H1163 PolarHBondContact O-CD2 3.41Å; H1163-Q1166 HydrophobicContact CB-CB 4Å; H1163-Q1166 HydrophobicContact CB-CG 3.76Å; H1163-Q1166 PolarHBondContact O-N 3.03Å; H1163-I1167 PolarHBondContact O-N 3.1Å |
| 1164 | V | 93.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -38.4 | -174.5 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | S1099 I1100 L1140 A1143 I1144 L1147 I1162 Q1166 I1167 V1168 | S1099-V1164 WeakPolarHBondContact O-CG2 3.44Å; S1099-V1164 PolarHBondContact O-N 3.18Å; I1100-V1164 HydrophobicContact CG1-CB 4.25Å; I1100-V1164 HydrophobicContact CG1-CG2 4.07Å; L1140-V1164 HydrophobicContact CB-CG1 4.42Å; L1140-V1164 HydrophobicContact CD2-CB 4.25Å; L1140-V1164 HydrophobicContact CD2-CG1 3.72Å; A1143-V1164 HydrophobicContact CB-CG1 3.88Å; I1144-V1164 HydrophobicContact CD1-CG1 4.37Å; I1144-V1164 HydrophobicContact CG1-CG1 3.82Å; I1144-V1164 HydrophobicContact CG1-CG2 4.13Å; L1147-V1164 HydrophobicContact CD1-CG2 4.21Å; I1162-V1164 PolarHBondContact O-N 3.24Å; V1164-Q1166 PolarHBondContact O-N 3.35Å; V1164-I1167 WeakPolarHBondContact O-CB 3.48Å; V1164-I1167 PolarHBondContact O-N 3.28Å; V1164-V1168 PolarHBondContact O-N 3.19Å; V1164-V1168 VanDerWaalsContact O-N 3.13Å |
| 1165 | D | 91.1 | Very high | 86 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.1 | -45.4 | 173.8 | 36 | -88.3 | 0 | 0 | 0 | 112.7 | D1101 I1167 V1168 Q1169 | D1101-D1165 PolarHBondContact N-OD1 2.93Å; D1165-I1167 VanDerWaalsContact C-N 3.35Å; D1165-I1167 PolarHBondContact O-N 2.85Å; D1165-V1168 PolarHBondContact O-N 2.76Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.41Å; D1165-Q1169 PolarHBondContact O-N 2.61Å |
| 1166 | Q | 90.9 | Very high | 86.9 | Confident | 80 Ų | 80 | 37.7 Ų | 37.7 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.7 | -66.7 | 179.2 | 2.6 | 0 | 0 | 112.5 | H1163 V1164 V1168 Q1169 M1170 H1222 | H1163-Q1166 HydrophobicContact CB-CB 4Å; H1163-Q1166 HydrophobicContact CB-CG 3.76Å; H1163-Q1166 PolarHBondContact O-N 3.03Å; V1164-Q1166 PolarHBondContact O-N 3.35Å; Q1166-V1168 VanDerWaalsContact C-N 3.34Å; Q1166-V1168 PolarHBondContact O-N 3.41Å; Q1166-Q1169 PolarHBondContact O-N 3.33Å; Q1166-M1170 WeakPolarHBondContact O-CB 3.45Å; Q1166-M1170 VanDerWaalsContact O-CG 3.3Å; Q1166-M1170 WeakPolarHBondContact O-CG 3.32Å; Q1166-M1170 PolarHBondContact O-N 3.35Å; Q1166-H1222 PolarHBondContact OE1-CE1 2.97Å |
| 1167 | I | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 176.6 | -68 | 165.5 | 0 | 0 | 0 | 110.7 | A1143 L1147 I1162 H1163 V1164 D1165 M1170 A1171 L1215 A1218 V1219 H1222 | A1143-I1167 HydrophobicContact CB-CG2 4.43Å; L1147-I1167 HydrophobicContact CD1-CD1 3.93Å; L1147-I1167 HydrophobicContact CD2-CD1 3.99Å; L1147-I1167 HydrophobicContact CG-CD1 4.27Å; I1162-I1167 HydrophobicContact CG2-CD1 3.75Å; H1163-I1167 PolarHBondContact O-N 3.1Å; V1164-I1167 WeakPolarHBondContact O-CB 3.48Å; V1164-I1167 PolarHBondContact O-N 3.28Å; D1165-I1167 VanDerWaalsContact C-N 3.35Å; D1165-I1167 PolarHBondContact O-N 2.85Å; I1167-M1170 PolarHBondContact O-N 3.36Å; I1167-A1171 WeakPolarHBondContact O-CB 3.29Å; I1167-A1171 PolarHBondContact O-N 3.38Å; I1167-L1215 HydrophobicContact CG2-CD2 4.37Å; I1167-A1218 HydrophobicContact CG2-CB 4.04Å; I1167-A1218 WeakPolarHBondContact O-CB 3.37Å; I1167-V1219 HydrophobicContact CD1-CG2 4.23Å; I1167-V1219 HydrophobicContact CG2-CG2 3.64Å; I1167-H1222 HydrophobicContact CG1-CB 4.13Å |
| 1168 | V | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 178.1 | 179 | 0 | 0 | 0 | 0 | 111.1 | Y1136 L1139 L1140 A1143 V1164 D1165 Q1166 A1171 S1172 I1196 L1215 | Y1136-V1168 HydrophobicContact CD2-CG1 4.39Å; Y1136-V1168 HydrophobicContact CE2-CB 4.35Å; Y1136-V1168 HydrophobicContact CE2-CG1 3.74Å; L1139-V1168 HydrophobicContact CB-CG1 4.04Å; L1139-V1168 HydrophobicContact CD1-CG1 4.19Å; L1140-V1168 HydrophobicContact CD2-CG2 3.82Å; L1140-V1168 HydrophobicContact CG-CG2 4.45Å; A1143-V1168 HydrophobicContact CB-CG2 3.72Å; V1164-V1168 PolarHBondContact O-N 3.19Å; V1164-V1168 VanDerWaalsContact O-N 3.13Å; D1165-V1168 PolarHBondContact O-N 2.76Å; Q1166-V1168 VanDerWaalsContact C-N 3.34Å; Q1166-V1168 PolarHBondContact O-N 3.41Å; V1168-A1171 PolarHBondContact O-N 3.06Å; V1168-S1172 PolarHBondContact O-N 3.2Å; V1168-I1196 HydrophobicContact CG1-CD1 3.93Å; V1168-L1215 HydrophobicContact CG2-CD2 4.08Å |
| 1169 | Q | 91.6 | Very high | 88.9 | Confident | 83 Ų | 83 | 36.8 Ų | 36.8 | 39% | 0.388 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.1 | -71.5 | 173.9 | 0.5 | 0 | 0 | 111.9 | D1165 Q1166 A1171 S1172 Q1173 I1196 | D1165-Q1169 WeakPolarHBondContact O-CG 3.41Å; D1165-Q1169 PolarHBondContact O-N 2.61Å; Q1166-Q1169 PolarHBondContact O-N 3.33Å; Q1169-A1171 VanDerWaalsContact C-N 3.34Å; Q1169-A1171 PolarHBondContact O-N 2.87Å; Q1169-S1172 PolarHBondContact O-N 3.02Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.34Å; Q1169-Q1173 PolarHBondContact O-N 2.92Å; Q1169-I1196 HydrophobicContact CG-CD1 4.43Å |
| 1170 | M | 91.1 | Very high | 89.3 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.6 | -73.7 | 175.1 | 70.1 | 0 | 0 | 111.3 | Q1166 I1167 S1172 Q1173 L1174 A1218 H1222 | Q1166-M1170 WeakPolarHBondContact O-CB 3.45Å; Q1166-M1170 VanDerWaalsContact O-CG 3.3Å; Q1166-M1170 WeakPolarHBondContact O-CG 3.32Å; Q1166-M1170 PolarHBondContact O-N 3.35Å; I1167-M1170 PolarHBondContact O-N 3.36Å; M1170-S1172 VanDerWaalsContact C-N 3.35Å; M1170-S1172 PolarHBondContact O-N 3.43Å; M1170-Q1173 PolarHBondContact O-N 3.21Å; M1170-Q1173 VanDerWaalsContact O-N 3.16Å; M1170-L1174 WeakPolarHBondContact O-CG 3.42Å; M1170-L1174 PolarHBondContact O-N 3.26Å; M1170-A1218 HydrophobicContact CB-CB 3.9Å; M1170-H1222 HydrophobicContact SD-CB 4.42Å |
| 1171 | A | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1167 V1168 Q1169 Q1173 L1174 F1175 F1200 L1215 A1218 | I1167-A1171 WeakPolarHBondContact O-CB 3.29Å; I1167-A1171 PolarHBondContact O-N 3.38Å; V1168-A1171 PolarHBondContact O-N 3.06Å; Q1169-A1171 VanDerWaalsContact C-N 3.34Å; Q1169-A1171 PolarHBondContact O-N 2.87Å; A1171-Q1173 VanDerWaalsContact C-N 3.32Å; A1171-Q1173 PolarHBondContact O-N 3.07Å; A1171-L1174 PolarHBondContact O-N 3.14Å; A1171-F1175 PolarHBondContact O-N 2.92Å; A1171-F1200 HydrophobicContact CB-CZ 4.14Å; A1171-L1215 HydrophobicContact CB-CD2 3.73Å; A1171-L1215 HydrophobicContact CB-CG 4.17Å; A1171-A1218 HydrophobicContact CB-CB 3.94Å |
| 1172 | S | 92.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -33.8 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | V1168 Q1169 M1170 L1176 C1197 | V1168-S1172 PolarHBondContact O-N 3.2Å; Q1169-S1172 PolarHBondContact O-N 3.02Å; M1170-S1172 VanDerWaalsContact C-N 3.35Å; M1170-S1172 PolarHBondContact O-N 3.43Å; S1172-L1176 WeakPolarHBondContact O-CB 3.18Å; S1172-L1176 VanDerWaalsContact O-CG 3.3Å; S1172-L1176 WeakPolarHBondContact O-CG 3.33Å; S1172-L1176 PolarHBondContact O-N 2.9Å; S1172-C1197 PolarHBondContact OG-N 3.26Å |
| 1173 | Q | 89.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 175.5 | -72.8 | 175.1 | 14.6 | 0 | 0 | 111.8 | Q1169 M1170 A1171 F1175 L1176 Q1177 | Q1169-Q1173 WeakPolarHBondContact O-CG 3.34Å; Q1169-Q1173 PolarHBondContact O-N 2.92Å; M1170-Q1173 PolarHBondContact O-N 3.21Å; M1170-Q1173 VanDerWaalsContact O-N 3.16Å; A1171-Q1173 VanDerWaalsContact C-N 3.32Å; A1171-Q1173 PolarHBondContact O-N 3.07Å; Q1173-F1175 VanDerWaalsContact C-N 3.29Å; Q1173-F1175 PolarHBondContact O-N 2.87Å; Q1173-L1176 PolarHBondContact O-N 3.36Å; Q1173-Q1177 WeakPolarHBondContact O-CG 3.46Å; Q1173-Q1177 PolarHBondContact O-N 3.16Å |
| 1174 | L | 89.7 | Confident | 86 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.2 | -69.3 | 173.4 | 0 | 0 | 0 | 111.3 | M1170 A1171 Q1177 D1178 Y1214 R1217 | M1170-L1174 WeakPolarHBondContact O-CG 3.42Å; M1170-L1174 PolarHBondContact O-N 3.26Å; A1171-L1174 PolarHBondContact O-N 3.14Å; L1174-Q1177 PolarHBondContact O-N 2.98Å; L1174-D1178 PolarHBondContact O-N 2.69Å; L1174-D1178 VanDerWaalsContact O-N 3.09Å; L1174-Y1214 HydrophobicContact CB-CD1 3.73Å; L1174-Y1214 HydrophobicContact CB-CE1 4.23Å; L1174-R1217 HydrophobicContact CD1-CB 3.83Å |
| 1175 | F | 89.7 | Confident | 84.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 173.5 | 175.1 | -95.5 | 0 | 0 | 0 | 111.6 | A1171 Q1173 Q1177 D1178 Q1179 F1199 F1200 Y1214 | A1171-F1175 PolarHBondContact O-N 2.92Å; Q1173-F1175 VanDerWaalsContact C-N 3.29Å; Q1173-F1175 PolarHBondContact O-N 2.87Å; F1175-Q1177 VanDerWaalsContact C-N 3.34Å; F1175-Q1177 PolarHBondContact O-N 3.38Å; F1175-D1178 PolarHBondContact O-N 3.22Å; F1175-Q1179 HydrophobicContact CD1-CG 3.98Å; F1175-Q1179 HydrophobicContact CD2-CG 4.48Å; F1175-Q1179 HydrophobicContact CE1-CG 3.55Å; F1175-Q1179 HydrophobicContact CE2-CG 4.12Å; F1175-Q1179 HydrophobicContact CG-CG 4.43Å; F1175-Q1179 HydrophobicContact CZ-CG 3.63Å; F1175-Q1179 WeakPolarHBondContact O-CG 3.35Å; F1175-Q1179 PolarHBondContact O-N 3.09Å; F1175-F1199 HydrophobicContact CE1-CB 4.14Å; F1175-F1199 HydrophobicContact CZ-CB 4.23Å; F1175-F1200 HydrophobicContact CB-CD2 3.72Å; F1175-F1200 HydrophobicContact CB-CE2 3.93Å; F1175-F1200 HydrophobicContact CD1-CB 4.06Å; F1175-F1200 AromaticContact CD1-CD2 3.92Å; F1175-F1200 HydrophobicContact CD1-CD2 3.92Å; F1175-F1200 HydrophobicContact CD1-CG 4.39Å; F1175-F1200 AromaticContact CD2-CD2 3.75Å; F1175-F1200 HydrophobicContact CD2-CD2 3.75Å; F1175-F1200 HydrophobicContact CD2-CE2 4.24Å; F1175-F1200 HydrophobicContact CE1-CB 4.21Å; F1175-F1200 HydrophobicContact CE1-CD2 4.47Å; F1175-F1200 HydrophobicContact CE2-CD2 4.32Å; F1175-F1200 AromaticContact CG-CD2 3.51Å; F1175-F1200 HydrophobicContact CG-CD2 3.51Å; F1175-F1200 HydrophobicContact CG-CE2 4.13Å; F1175-F1200 HydrophobicContact CG-CG 4.39Å; F1175-Y1214 HydrophobicContact CB-CD1 4.24Å; F1175-Y1214 HydrophobicContact CB-CD2 4.23Å; F1175-Y1214 HydrophobicContact CB-CE1 4.24Å; F1175-Y1214 HydrophobicContact CB-CE2 4.24Å; F1175-Y1214 HydrophobicContact CB-CG 4.24Å; F1175-Y1214 HydrophobicContact CD2-CD2 4.06Å; F1175-Y1214 AromaticContact CD2-CE2 3.59Å; F1175-Y1214 HydrophobicContact CD2-CE2 3.59Å; F1175-Y1214 HydrophobicContact CG-CE2 4.42Å |
| 1176 | L | 85.5 | Confident | 82.2 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178 | -78.1 | 167 | 0 | 0 | 0 | 112.3 | S1172 Q1173 D1178 Q1179 V1180 L1188 C1197 | S1172-L1176 WeakPolarHBondContact O-CB 3.18Å; S1172-L1176 VanDerWaalsContact O-CG 3.3Å; S1172-L1176 WeakPolarHBondContact O-CG 3.33Å; S1172-L1176 PolarHBondContact O-N 2.9Å; Q1173-L1176 PolarHBondContact O-N 3.36Å; L1176-D1178 VanDerWaalsContact C-N 3.33Å; L1176-D1178 PolarHBondContact O-N 3.25Å; L1176-Q1179 PolarHBondContact O-N 3.15Å; L1176-V1180 WeakPolarHBondContact O-CB 3.39Å; L1176-V1180 VanDerWaalsContact O-CG2 3.25Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.47Å; L1176-V1180 PolarHBondContact O-N 3.45Å; L1176-L1188 HydrophobicContact CD2-CB 4.11Å; L1176-L1188 HydrophobicContact CD2-CD1 3.94Å; L1176-L1188 HydrophobicContact CD2-CD2 4.21Å; L1176-L1188 HydrophobicContact CD2-CG 4.31Å; L1176-C1197 HydrophobicContact CD1-CB 4.39Å; L1176-C1197 HydrophobicContact CD2-CB 3.83Å; L1176-C1197 HydrophobicContact CG-CB 4.12Å |
| 1177 | Q | 86.3 | Confident | 80.6 | Confident | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.6 | -45.2 | 176.1 | -73.2 | 173.6 | 0.1 | 0 | 0 | 111.4 | Q1173 L1174 F1175 V1180 S1181 | Q1173-Q1177 WeakPolarHBondContact O-CG 3.46Å; Q1173-Q1177 PolarHBondContact O-N 3.16Å; L1174-Q1177 PolarHBondContact O-N 2.98Å; F1175-Q1177 VanDerWaalsContact C-N 3.34Å; F1175-Q1177 PolarHBondContact O-N 3.38Å; Q1177-V1180 PolarHBondContact O-N 3.2Å; Q1177-S1181 WeakPolarHBondContact O-CB 3.46Å; Q1177-S1181 PolarHBondContact O-N 3.43Å |
| 1178 | D | 86.7 | Confident | 79.4 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.9 | -73.6 | -3.1 | 0 | 0 | 0 | 111.1 | L1174 F1175 L1176 S1181 I1182 Y1214 R1217 | L1174-D1178 PolarHBondContact O-N 2.69Å; L1174-D1178 VanDerWaalsContact O-N 3.09Å; F1175-D1178 PolarHBondContact O-N 3.22Å; L1176-D1178 VanDerWaalsContact C-N 3.33Å; L1176-D1178 PolarHBondContact O-N 3.25Å; D1178-S1181 PolarHBondContact O-N 2.92Å; D1178-S1181 PolarHBondContact O-OG 3.46Å; D1178-I1182 WeakPolarHBondContact O-CD1 3.17Å; D1178-I1182 VanDerWaalsContact O-CG1 3.29Å; D1178-I1182 WeakPolarHBondContact O-CG1 3.17Å; D1178-I1182 PolarHBondContact O-N 2.96Å; D1178-Y1214 HydrophobicContact CB-CE1 4.42Å; D1178-Y1214 WeakPolarHBondContact CB-OH 3.37Å; D1178-Y1214 WeakPolarHBondContact OD2-CE1 3.38Å; D1178-Y1214 VanDerWaalsContact OD2-CZ 3.29Å; D1178-Y1214 PolarHBondContact OD2-OH 2.95Å; D1178-R1217 IonicContact OD2-NH1 2.83Å; D1178-R1217 PolarHBondContact OD2-NH1 3.23Å; D1178-R1217 VanDerWaalsContact OD2-NH1 3.14Å |
| 1179 | Q | 82.7 | Confident | 78.4 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 19% | 0.192 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.6 | -68 | -54.7 | -44.6 | 0 | 0 | 113 | F1175 L1176 S1181 I1182 G1183 A1184 L1188 | F1175-Q1179 HydrophobicContact CD1-CG 3.98Å; F1175-Q1179 HydrophobicContact CD2-CG 4.48Å; F1175-Q1179 HydrophobicContact CE1-CG 3.55Å; F1175-Q1179 HydrophobicContact CE2-CG 4.12Å; F1175-Q1179 HydrophobicContact CG-CG 4.43Å; F1175-Q1179 HydrophobicContact CZ-CG 3.63Å; F1175-Q1179 WeakPolarHBondContact O-CG 3.35Å; F1175-Q1179 PolarHBondContact O-N 3.09Å; L1176-Q1179 PolarHBondContact O-N 3.15Å; Q1179-S1181 VanDerWaalsContact C-N 3.31Å; Q1179-S1181 PolarHBondContact O-N 2.89Å; Q1179-I1182 PolarHBondContact O-N 3.3Å; Q1179-G1183 PolarHBondContact O-N 3.04Å; Q1179-A1184 PolarHBondContact O-N 3.29Å; Q1179-L1188 HydrophobicContact CB-CD1 4.1Å; Q1179-L1188 HydrophobicContact CB-CD2 4.22Å; Q1179-L1188 HydrophobicContact CG-CD2 4.42Å |
| 1180 | V | 81.1 | Confident | 77.8 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | L1176 Q1177 I1182 G1183 M1185 L1188 | L1176-V1180 WeakPolarHBondContact O-CB 3.39Å; L1176-V1180 VanDerWaalsContact O-CG2 3.25Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.47Å; L1176-V1180 PolarHBondContact O-N 3.45Å; Q1177-V1180 PolarHBondContact O-N 3.2Å; V1180-I1182 PolarHBondContact O-N 3.38Å; V1180-G1183 PolarHBondContact O-N 2.89Å; V1180-G1183 VanDerWaalsContact O-N 3.09Å; V1180-M1185 HydrophobicContact CG1-CG 4.45Å; V1180-L1188 HydrophobicContact CG2-CD1 4.07Å |
| 1181 | S | 79.1 | Confident | 77 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 66% | 0.664 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64 | -22.4 | 177.2 | 79.3 | 0 | 0 | 0 | 0 | 113.8 | Q1177 D1178 Q1179 | Q1177-S1181 WeakPolarHBondContact O-CB 3.46Å; Q1177-S1181 PolarHBondContact O-N 3.43Å; D1178-S1181 PolarHBondContact O-N 2.92Å; D1178-S1181 PolarHBondContact O-OG 3.46Å; Q1179-S1181 VanDerWaalsContact C-N 3.31Å; Q1179-S1181 PolarHBondContact O-N 2.89Å |
| 1182 | I | 76.9 | Confident | 76.1 | Confident | 103 Ų | 103 | 79 Ų | 79 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.5 | 179.4 | -61.4 | 163.2 | 0 | 0 | 0 | 111.6 | D1178 Q1179 V1180 Y1209 | D1178-I1182 WeakPolarHBondContact O-CD1 3.17Å; D1178-I1182 VanDerWaalsContact O-CG1 3.29Å; D1178-I1182 WeakPolarHBondContact O-CG1 3.17Å; D1178-I1182 PolarHBondContact O-N 2.96Å; Q1179-I1182 PolarHBondContact O-N 3.3Å; V1180-I1182 PolarHBondContact O-N 3.38Å; I1182-Y1209 HydrophobicContact CD1-CE1 3.92Å |
| 1183 | G | 67.1 | Low | 75.2 | Confident | 62 Ų | 62 | 82.3 Ų | 82.3 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | 15.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1179 V1180 M1185 | Q1179-G1183 PolarHBondContact O-N 3.04Å; V1180-G1183 PolarHBondContact O-N 2.89Å; V1180-G1183 VanDerWaalsContact O-N 3.09Å; G1183-M1185 PolarHBondContact O-N 3.1Å |
| 1184 | A | 61.8 | Low | 74.8 | Confident | 30 Ų | 30 | 77.7 Ų | 77.7 | 25% | 0.248 | 43% | 0.431 | C | S | . | . | trans | -90.6 | 54 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1179 L1188 | Q1179-A1184 PolarHBondContact O-N 3.29Å; A1184-L1188 WeakPolarHBondContact O-CD1 3.48Å; A1184-L1188 VanDerWaalsContact O-CG 3.32Å; A1184-L1188 WeakPolarHBondContact O-CG 3.28Å | ||
| 1185 | M | 53.8 | Low | 74.3 | Confident | 140 Ų | 140 | 78.1 Ų | 78.1 | 69% | 0.69 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -30.8 | -172.7 | -80.6 | -172.1 | 68.1 | 0 | 0 | 115.5 | V1180 G1183 T1187 | V1180-M1185 HydrophobicContact CG1-CG 4.45Å; G1183-M1185 PolarHBondContact O-N 3.1Å; M1185-T1187 PolarHBondContact O-N 3.42Å |
| 1186 | D | 50.6 | Low | 74.2 | Confident | 166 Ų | 166 | 78 Ų | 78 | 89% | 0.888 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4.9 | -165.2 | -68.6 | -25.9 | 0 | 0 | 0 | 115.7 | ||
| 1187 | T | 56.8 | Low | 74.2 | Confident | 86 Ų | 86 | 77 Ų | 77 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -129.7 | -1.9 | -174.5 | 44.6 | 0 | 0 | 0 | 0 | 115.4 | M1185 E1189 F1199 | M1185-T1187 PolarHBondContact O-N 3.42Å; T1187-E1189 PolarHBondContact O-N 3.3Å; T1187-F1199 VanDerWaalsContact O-CE2 3.24Å; T1187-F1199 WeakPolarHBondContact O-CE2 3.47Å |
| 1188 | L | 67.4 | Low | 74 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | trans | -82.6 | 73.9 | -171.8 | -63.1 | 170 | 0 | 0 | 0 | 112.8 | L1176 Q1179 V1180 A1184 F1199 | L1176-L1188 HydrophobicContact CD2-CB 4.11Å; L1176-L1188 HydrophobicContact CD2-CD1 3.94Å; L1176-L1188 HydrophobicContact CD2-CD2 4.21Å; L1176-L1188 HydrophobicContact CD2-CG 4.31Å; Q1179-L1188 HydrophobicContact CB-CD1 4.1Å; Q1179-L1188 HydrophobicContact CB-CD2 4.22Å; Q1179-L1188 HydrophobicContact CG-CD2 4.42Å; V1180-L1188 HydrophobicContact CG2-CD1 4.07Å; A1184-L1188 WeakPolarHBondContact O-CD1 3.48Å; A1184-L1188 VanDerWaalsContact O-CG 3.32Å; A1184-L1188 WeakPolarHBondContact O-CG 3.28Å; L1188-F1199 HydrophobicContact CD2-CD2 3.85Å; L1188-F1199 HydrophobicContact CD2-CE2 4.38Å | ||
| 1189 | E | 74.1 | Confident | 73.9 | Confident | 145 Ų | 145 | 76 Ų | 76 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | trans | -71.4 | 139.7 | 171.6 | -68.2 | -173.8 | 170.1 | 0 | 0 | 111.8 | T1187 H1198 | T1187-E1189 PolarHBondContact O-N 3.3Å; E1189-H1198 PolarHBondContact O-N 3.35Å | ||
| 1190 | K | 78.5 | Confident | 74.2 | Confident | 120 Ų | 120 | 74 Ų | 74 | 52% | 0.522 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -105.2 | 138.8 | 174.1 | -65.2 | -176.9 | -177.8 | -176.6 | 0 | 109.9 | Q1192 I1196 | K1190-Q1192 PolarHBondContact O-N 3.3Å; K1190-I1196 WeakPolarHBondContact CA-O 3.47Å |
| 1191 | D | 75 | Confident | 74.4 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | trans | -61.1 | 124.8 | 167.8 | -176.8 | -36.3 | 0 | 0 | 0 | 109.1 | A1193 T1194 G1195 I1196 Y1201 | D1191-A1193 VanDerWaalsContact C-N 3.27Å; D1191-A1193 PolarHBondContact O-N 3.1Å; D1191-A1193 WeakPolarHBondContact OD1-CA 3.3Å; D1191-A1193 WeakPolarHBondContact OD1-CB 3.42Å; D1191-A1193 PolarHBondContact OD1-N 3.33Å; D1191-T1194 WeakPolarHBondContact CB-OG1 3.33Å; D1191-T1194 PolarHBondContact OD1-N 3.22Å; D1191-G1195 WeakPolarHBondContact O-CA 3.11Å; D1191-G1195 PolarHBondContact O-N 3.16Å; D1191-I1196 PolarHBondContact N-O 3.32Å; D1191-Y1201 HydrophobicContact CB-CE2 4.21Å | ||
| 1192 | Q | 73 | Confident | 74.8 | Confident | 205 Ų | 205 | 67.3 Ų | 67.3 | 96% | 0.958 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.2 | -177.2 | -65.5 | -177.6 | 1 | 0 | 0 | 113 | K1190 | K1190-Q1192 PolarHBondContact O-N 3.3Š|
| 1193 | A | 73.9 | Confident | 75.2 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 60% | 0.603 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -39.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1191 | D1191-A1193 VanDerWaalsContact C-N 3.27Å; D1191-A1193 PolarHBondContact O-N 3.1Å; D1191-A1193 WeakPolarHBondContact OD1-CA 3.3Å; D1191-A1193 WeakPolarHBondContact OD1-CB 3.42Å; D1191-A1193 PolarHBondContact OD1-N 3.33Å |
| 1194 | T | 80.4 | Confident | 76.2 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -17.7 | -173.6 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | Q1133 Y1136 D1191 I1196 Y1201 | Q1133-T1194 HydrophobicContact CG-CG2 4.27Å; Y1136-T1194 HydrophobicContact CD1-CG2 4Å; Y1136-T1194 HydrophobicContact CD2-CG2 4.25Å; Y1136-T1194 HydrophobicContact CG-CG2 3.84Å; D1191-T1194 WeakPolarHBondContact CB-OG1 3.33Å; D1191-T1194 PolarHBondContact OD1-N 3.22Å; T1194-I1196 PolarHBondContact O-N 3.45Å; T1194-I1196 PolarHBondContact OG1-N 3.41Å; T1194-Y1201 WeakPolarHBondContact CB-OH 3.46Å; T1194-Y1201 PolarHBondContact OG1-OH 3.4Å |
| 1195 | G | 80.1 | Confident | 77.2 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | trans | 72.9 | 4.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1191 | D1191-G1195 WeakPolarHBondContact O-CA 3.11Å; D1191-G1195 PolarHBondContact O-N 3.16Å | ||
| 1196 | I | 87.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | trans | -84.5 | 143.1 | -178.9 | -56.9 | -60.1 | 0 | 0 | 0 | 110.3 | Y1136 L1139 V1168 Q1169 K1190 D1191 T1194 F1200 Y1201 | Y1136-I1196 HydrophobicContact CD2-CG1 3.96Å; Y1136-I1196 HydrophobicContact CE2-CD1 4.18Å; Y1136-I1196 HydrophobicContact CE2-CG1 3.8Å; L1139-I1196 HydrophobicContact CD1-CG2 4.2Å; V1168-I1196 HydrophobicContact CG1-CD1 3.93Å; Q1169-I1196 HydrophobicContact CG-CD1 4.43Å; K1190-I1196 WeakPolarHBondContact CA-O 3.47Å; D1191-I1196 PolarHBondContact N-O 3.32Å; T1194-I1196 PolarHBondContact O-N 3.45Å; T1194-I1196 PolarHBondContact OG1-N 3.41Å; I1196-F1200 HydrophobicContact CG2-CB 4.18Å; I1196-F1200 HydrophobicContact CG2-CD1 3.86Å; I1196-F1200 HydrophobicContact CG2-CG 4.5Å; I1196-Y1201 HydrophobicContact CB-CE1 4.48Å; I1196-Y1201 HydrophobicContact CB-CE2 3.72Å; I1196-Y1201 HydrophobicContact CG2-CD1 4.48Å; I1196-Y1201 HydrophobicContact CG2-CD2 4.1Å; I1196-Y1201 HydrophobicContact CG2-CE1 4.1Å; I1196-Y1201 HydrophobicContact CG2-CE2 3.69Å; I1196-Y1201 HydrophobicContact CG2-CG 4.47Å | ||
| 1197 | C | 85.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -69.4 | 134.6 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | S1172 L1176 F1199 F1200 Y1201 | S1172-C1197 PolarHBondContact OG-N 3.26Å; L1176-C1197 HydrophobicContact CD1-CB 4.39Å; L1176-C1197 HydrophobicContact CD2-CB 3.83Å; L1176-C1197 HydrophobicContact CG-CB 4.12Å; C1197-F1199 VanDerWaalsContact C-N 3.27Å; C1197-F1199 PolarHBondContact O-N 2.75Å; C1197-F1200 HydrophobicContact CB-CB 4.24Å; C1197-F1200 VanDerWaalsContact O-CB 3.28Å; C1197-F1200 WeakPolarHBondContact O-CB 3.3Å; C1197-F1200 PolarHBondContact O-N 2.86Å; C1197-Y1201 PolarHBondContact O-N 3.24Å |
| 1198 | H | 82.3 | Confident | 80.6 | Confident | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.2 | -37.2 | 179.3 | -83 | -67.9 | 0 | 0 | 0 | 113.4 | E1189 F1200 Y1201 D1202 | E1189-H1198 PolarHBondContact O-N 3.35Å; H1198-F1200 VanDerWaalsContact C-N 3.27Å; H1198-F1200 PolarHBondContact O-N 3.31Å; H1198-Y1201 WeakPolarHBondContact O-CB 3.37Å; H1198-Y1201 PolarHBondContact O-N 3.33Å; H1198-D1202 PolarHBondContact O-N 3.12Å |
| 1199 | F | 84.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -25.2 | 175.4 | -70.8 | -69.7 | 0 | 0 | 0 | 113.8 | F1175 T1187 L1188 C1197 Y1201 D1202 S1203 | F1175-F1199 HydrophobicContact CE1-CB 4.14Å; F1175-F1199 HydrophobicContact CZ-CB 4.23Å; T1187-F1199 VanDerWaalsContact O-CE2 3.24Å; T1187-F1199 WeakPolarHBondContact O-CE2 3.47Å; L1188-F1199 HydrophobicContact CD2-CD2 3.85Å; L1188-F1199 HydrophobicContact CD2-CE2 4.38Å; C1197-F1199 VanDerWaalsContact C-N 3.27Å; C1197-F1199 PolarHBondContact O-N 2.75Å; F1199-Y1201 VanDerWaalsContact C-N 3.35Å; F1199-D1202 CarbonylContact O-C 3.52Å; F1199-D1202 PolarHBondContact O-N 3.17Å; F1199-S1203 PolarHBondContact O-N 3.03Å; F1199-S1203 PolarHBondContact O-OG 3.36Å |
| 1200 | F | 88.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 175.2 | -167.5 | -116.1 | 0 | 0 | 0 | 110.7 | L1139 A1171 F1175 I1196 C1197 H1198 D1202 S1203 T1211 Y1214 | L1139-F1200 HydrophobicContact CD1-CD1 3.9Å; L1139-F1200 HydrophobicContact CD1-CE1 4.05Å; L1139-F1200 HydrophobicContact CD2-CE1 4.33Å; A1171-F1200 HydrophobicContact CB-CZ 4.14Å; F1175-F1200 HydrophobicContact CB-CD2 3.72Å; F1175-F1200 HydrophobicContact CB-CE2 3.93Å; F1175-F1200 HydrophobicContact CD1-CB 4.06Å; F1175-F1200 AromaticContact CD1-CD2 3.92Å; F1175-F1200 HydrophobicContact CD1-CD2 3.92Å; F1175-F1200 HydrophobicContact CD1-CG 4.39Å; F1175-F1200 AromaticContact CD2-CD2 3.75Å; F1175-F1200 HydrophobicContact CD2-CD2 3.75Å; F1175-F1200 HydrophobicContact CD2-CE2 4.24Å; F1175-F1200 HydrophobicContact CE1-CB 4.21Å; F1175-F1200 HydrophobicContact CE1-CD2 4.47Å; F1175-F1200 HydrophobicContact CE2-CD2 4.32Å; F1175-F1200 AromaticContact CG-CD2 3.51Å; F1175-F1200 HydrophobicContact CG-CD2 3.51Å; F1175-F1200 HydrophobicContact CG-CE2 4.13Å; F1175-F1200 HydrophobicContact CG-CG 4.39Å; I1196-F1200 HydrophobicContact CG2-CB 4.18Å; I1196-F1200 HydrophobicContact CG2-CD1 3.86Å; I1196-F1200 HydrophobicContact CG2-CG 4.5Å; C1197-F1200 HydrophobicContact CB-CB 4.24Å; C1197-F1200 VanDerWaalsContact O-CB 3.28Å; C1197-F1200 WeakPolarHBondContact O-CB 3.3Å; C1197-F1200 PolarHBondContact O-N 2.86Å; H1198-F1200 VanDerWaalsContact C-N 3.27Å; H1198-F1200 PolarHBondContact O-N 3.31Å; F1200-D1202 PolarHBondContact O-N 3.34Å; F1200-S1203 WeakPolarHBondContact O-CB 3.49Å; F1200-S1203 PolarHBondContact O-N 2.88Å; F1200-T1211 HydrophobicContact CD2-CG2 4.12Å; F1200-T1211 HydrophobicContact CE1-CG2 4.27Å; F1200-T1211 HydrophobicContact CE2-CG2 3.79Å; F1200-T1211 HydrophobicContact CZ-CG2 3.86Å; F1200-Y1214 HydrophobicContact CE2-CD2 4.11Å; F1200-Y1214 HydrophobicContact CE2-CG 4.36Å |
| 1201 | Y | 86.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -24.8 | 172 | -70.1 | -62.2 | 0 | 0 | 0 | 113.8 | L1068 R1071 E1135 Y1136 L1139 D1191 T1194 I1196 C1197 H1198 F1199 | L1068-Y1201 WeakPolarHBondContact CA-O 3.27Å; L1068-Y1201 HydrophobicContact CD1-CG 4.28Å; L1068-Y1201 PolarHBondContact N-O 2.98Å; R1071-Y1201 VanDerWaalsContact NH1-C 3.35Å; R1071-Y1201 PolarHBondContact NH1-O 2.97Å; E1135-Y1201 HydrophobicContact CB-CD1 3.85Å; E1135-Y1201 HydrophobicContact CB-CE1 4.09Å; E1135-Y1201 HydrophobicContact CB-CG 4.47Å; E1135-Y1201 HydrophobicContact CG-CD1 3.85Å; E1135-Y1201 HydrophobicContact CG-CE1 3.79Å; E1135-Y1201 HydrophobicContact CG-CG 4.26Å; Y1136-Y1201 HydrophobicContact CD2-CE1 4.36Å; L1139-Y1201 HydrophobicContact CD1-CD1 3.54Å; L1139-Y1201 HydrophobicContact CD1-CE1 3.45Å; L1139-Y1201 VanDerWaalsContact CD1-CE1 3.45Å; L1139-Y1201 HydrophobicContact CG-CD1 4.2Å; L1139-Y1201 HydrophobicContact CG-CE1 4.24Å; D1191-Y1201 HydrophobicContact CB-CE2 4.21Å; T1194-Y1201 WeakPolarHBondContact CB-OH 3.46Å; T1194-Y1201 PolarHBondContact OG1-OH 3.4Å; I1196-Y1201 HydrophobicContact CB-CE1 4.48Å; I1196-Y1201 HydrophobicContact CB-CE2 3.72Å; I1196-Y1201 HydrophobicContact CG2-CD1 4.48Å; I1196-Y1201 HydrophobicContact CG2-CD2 4.1Å; I1196-Y1201 HydrophobicContact CG2-CE1 4.1Å; I1196-Y1201 HydrophobicContact CG2-CE2 3.69Å; I1196-Y1201 HydrophobicContact CG2-CG 4.47Å; C1197-Y1201 PolarHBondContact O-N 3.24Å; H1198-Y1201 WeakPolarHBondContact O-CB 3.37Å; H1198-Y1201 PolarHBondContact O-N 3.33Å; F1199-Y1201 VanDerWaalsContact C-N 3.35Å |
| 1202 | D | 86.3 | Confident | 83 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.3 | 178 | -160.6 | 41.3 | 0 | 0 | 0 | 113.8 | G1065 Q1066 W1067 L1068 H1198 F1199 F1200 | G1065-D1202 VanDerWaalsContact CA-CG 3.49Å; G1065-D1202 WeakPolarHBondContact CA-OD1 3.39Å; G1065-D1202 WeakPolarHBondContact CA-OD2 3.04Å; G1065-D1202 VanDerWaalsContact N-CG 3.29Å; G1065-D1202 PolarHBondContact N-OD1 3.4Å; G1065-D1202 PolarHBondContact N-OD2 3.28Å; Q1066-D1202 PolarHBondContact N-OD1 2.83Å; Q1066-D1202 VanDerWaalsContact N-OD1 3.17Å; W1067-D1202 WeakPolarHBondContact CB-O 3.44Å; W1067-D1202 PolarHBondContact N-OD1 2.73Å; L1068-D1202 HydrophobicContact CB-CB 4.06Å; L1068-D1202 PolarHBondContact N-OD1 3.07Å; H1198-D1202 PolarHBondContact O-N 3.12Å; F1199-D1202 CarbonylContact O-C 3.52Å; F1199-D1202 PolarHBondContact O-N 3.17Å; F1200-D1202 PolarHBondContact O-N 3.34Å |
| 1203 | S | 87.2 | Confident | 83.7 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -78.8 | 137.9 | 177.5 | -68 | 0 | 0 | 0 | 0 | 111.2 | R1071 F1199 F1200 | R1071-S1203 VanDerWaalsContact CZ-O 3.31Å; R1071-S1203 PolarHBondContact NH1-O 3.24Å; R1071-S1203 PolarHBondContact NH2-O 3.02Å; F1199-S1203 PolarHBondContact O-N 3.03Å; F1199-S1203 PolarHBondContact O-OG 3.36Å; F1200-S1203 WeakPolarHBondContact O-CB 3.49Å; F1200-S1203 PolarHBondContact O-N 2.88Å |
| 1204 | A | 86.8 | Confident | 84.6 | Confident | 33 Ų | 33 | 32.4 Ų | 32.4 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | trans | -59.4 | 146.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1067 S1206 G1210 T1211 | W1067-A1204 HydrophobicContact CD2-CB 4.38Å; W1067-A1204 HydrophobicContact CZ2-CB 4Å; A1204-S1206 VanDerWaalsContact C-N 3.31Å; A1204-S1206 PolarHBondContact O-N 3.46Å; A1204-G1210 CarbonylContact O-C 3.49Å; A1204-G1210 WeakPolarHBondContact O-CA 3.41Å; A1204-T1211 PolarHBondContact O-N 3.02Å | ||
| 1205 | P | 84.1 | Confident | 85.2 | Confident | 35 Ų | 35 | 31.7 Ų | 31.7 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -58.8 | -40.3 | 176.5 | -27.2 | 34.8 | 0 | 0 | 0 | 113.6 | W1067 T1211 M1212 | W1067-P1205 VanDerWaalsContact CE3-CD 3.42Å; W1067-P1205 HydrophobicContact CE3-CG 4.03Å; W1067-P1205 HydrophobicContact CH2-CG 4.31Å; W1067-P1205 HydrophobicContact CZ3-CG 3.79Å; P1205-T1211 WeakPolarHBondContact CA-OG1 3.45Å; P1205-M1212 HydrophobicContact CB-CG 4.28Å; P1205-M1212 WeakPolarHBondContact O-CB 3.44Å; P1205-M1212 WeakPolarHBondContact O-CG 3.47Å; P1205-M1212 PolarHBondContact O-N 2.75Å; P1205-M1212 VanDerWaalsContact O-N 3.1Å |
| 1206 | S | 80 | Confident | 85.6 | Confident | 55 Ų | 55 | 30.9 Ų | 30.9 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -105.5 | 148.5 | -177.4 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | A1204 | A1204-S1206 VanDerWaalsContact C-N 3.31Å; A1204-S1206 PolarHBondContact O-N 3.46Å |
| 1207 | G | 79.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 35.8 Ų | 35.8 | 46% | 0.464 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 130.4 | 169.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1209 G1210 T1213 | G1207-Y1209 PolarHBondContact O-N 3.24Å; G1207-G1210 PolarHBondContact O-N 3.04Å; G1207-T1213 PolarHBondContact O-OG1 2.76Å |
| 1208 | A | 72.4 | Confident | 86 | Confident | 79 Ų | 79 | 35.8 Ų | 35.8 | 65% | 0.653 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1209 | Y | 79.8 | Confident | 86.3 | Confident | 135 Ų | 135 | 32.8 Ų | 32.8 | 53% | 0.529 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 18.9 | 175.2 | -57.6 | -81.1 | 0 | 0 | 0 | 112.4 | I1182 G1207 Y1214 | I1182-Y1209 HydrophobicContact CD1-CE1 3.92Å; G1207-Y1209 PolarHBondContact O-N 3.24Å; Y1209-Y1214 WeakPolarHBondContact CD1-OH 3.33Å |
| 1210 | G | 86.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -80.7 | 156.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1204 G1207 M1212 T1213 Y1214 | A1204-G1210 CarbonylContact O-C 3.49Å; A1204-G1210 WeakPolarHBondContact O-CA 3.41Å; G1207-G1210 PolarHBondContact O-N 3.04Å; G1210-M1212 VanDerWaalsContact C-N 3.32Å; G1210-M1212 PolarHBondContact O-N 2.99Å; G1210-T1213 WeakPolarHBondContact O-CB 3.03Å; G1210-T1213 PolarHBondContact O-N 3.02Å; G1210-T1213 VanDerWaalsContact O-N 3.14Å; G1210-Y1214 WeakPolarHBondContact O-CD2 3.24Å |
| 1211 | T | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | -175.4 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | R1071 L1139 E1142 F1200 A1204 P1205 T1213 Y1214 L1215 | R1071-T1211 PolarHBondContact NH2-OG1 3.07Å; L1139-T1211 HydrophobicContact CD2-CG2 4.18Å; E1142-T1211 WeakPolarHBondContact OE2-CB 3.41Å; E1142-T1211 PolarHBondContact OE2-OG1 3.29Å; F1200-T1211 HydrophobicContact CD2-CG2 4.12Å; F1200-T1211 HydrophobicContact CE1-CG2 4.27Å; F1200-T1211 HydrophobicContact CE2-CG2 3.79Å; F1200-T1211 HydrophobicContact CZ-CG2 3.86Å; A1204-T1211 PolarHBondContact O-N 3.02Å; P1205-T1211 WeakPolarHBondContact CA-OG1 3.45Å; T1211-T1213 VanDerWaalsContact C-N 3.27Å; T1211-T1213 PolarHBondContact O-N 2.64Å; T1211-Y1214 PolarHBondContact O-N 2.65Å; T1211-L1215 WeakPolarHBondContact O-CB 3.46Å; T1211-L1215 VanDerWaalsContact O-CG 3.29Å; T1211-L1215 WeakPolarHBondContact O-CG 3.45Å; T1211-L1215 PolarHBondContact O-N 3.43Å |
| 1212 | M | 88.3 | Confident | 86 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -31.3 | -179.4 | -65.7 | -69.4 | -74.8 | 0 | 0 | 113.1 | L1003 E1142 V1146 P1205 G1210 L1215 T1216 | L1003-M1212 HydrophobicContact CD1-CB 3.81Å; E1142-M1212 HydrophobicContact CB-SD 3.94Å; E1142-M1212 HydrophobicContact CG-SD 4.34Å; V1146-M1212 HydrophobicContact CG2-CE 3.4Å; V1146-M1212 VanDerWaalsContact CG2-CE 3.4Å; V1146-M1212 HydrophobicContact CG2-SD 3.82Å; P1205-M1212 HydrophobicContact CB-CG 4.28Å; P1205-M1212 WeakPolarHBondContact O-CB 3.44Å; P1205-M1212 WeakPolarHBondContact O-CG 3.47Å; P1205-M1212 PolarHBondContact O-N 2.75Å; P1205-M1212 VanDerWaalsContact O-N 3.1Å; G1210-M1212 VanDerWaalsContact C-N 3.32Å; G1210-M1212 PolarHBondContact O-N 2.99Å; M1212-L1215 HydrophobicContact SD-CD1 4.36Å; M1212-T1216 WeakPolarHBondContact O-CB 3.12Å; M1212-T1216 PolarHBondContact O-N 3.44Å; M1212-T1216 PolarHBondContact O-OG1 3.3Å |
| 1213 | T | 89 | Confident | 85.5 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.2 | -45.3 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | G1207 G1210 T1211 T1216 R1217 | G1207-T1213 PolarHBondContact O-OG1 2.76Å; G1210-T1213 WeakPolarHBondContact O-CB 3.03Å; G1210-T1213 PolarHBondContact O-N 3.02Å; G1210-T1213 VanDerWaalsContact O-N 3.14Å; T1211-T1213 VanDerWaalsContact C-N 3.27Å; T1211-T1213 PolarHBondContact O-N 2.64Å; T1213-T1216 PolarHBondContact O-N 2.88Å; T1213-R1217 WeakPolarHBondContact O-CG 3.5Å; T1213-R1217 PolarHBondContact O-N 2.96Å |
| 1214 | Y | 92.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | 176.4 | -70.8 | -73.1 | 0 | 0 | 0 | 112.4 | L1174 F1175 D1178 F1200 Y1209 G1210 T1211 T1216 R1217 A1218 | L1174-Y1214 HydrophobicContact CB-CD1 3.73Å; L1174-Y1214 HydrophobicContact CB-CE1 4.23Å; F1175-Y1214 HydrophobicContact CB-CD1 4.24Å; F1175-Y1214 HydrophobicContact CB-CD2 4.23Å; F1175-Y1214 HydrophobicContact CB-CE1 4.24Å; F1175-Y1214 HydrophobicContact CB-CE2 4.24Å; F1175-Y1214 HydrophobicContact CB-CG 4.24Å; F1175-Y1214 HydrophobicContact CD2-CD2 4.06Å; F1175-Y1214 AromaticContact CD2-CE2 3.59Å; F1175-Y1214 HydrophobicContact CD2-CE2 3.59Å; F1175-Y1214 HydrophobicContact CG-CE2 4.42Å; D1178-Y1214 HydrophobicContact CB-CE1 4.42Å; D1178-Y1214 WeakPolarHBondContact CB-OH 3.37Å; D1178-Y1214 WeakPolarHBondContact OD2-CE1 3.38Å; D1178-Y1214 VanDerWaalsContact OD2-CZ 3.29Å; D1178-Y1214 PolarHBondContact OD2-OH 2.95Å; F1200-Y1214 HydrophobicContact CE2-CD2 4.11Å; F1200-Y1214 HydrophobicContact CE2-CG 4.36Å; Y1209-Y1214 WeakPolarHBondContact CD1-OH 3.33Å; G1210-Y1214 WeakPolarHBondContact O-CD2 3.24Å; T1211-Y1214 PolarHBondContact O-N 2.65Å; Y1214-T1216 VanDerWaalsContact C-N 3.3Å; Y1214-T1216 PolarHBondContact O-N 3.28Å; Y1214-R1217 PolarHBondContact O-N 3.48Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.11Å; Y1214-A1218 PolarHBondContact O-N 3.45Å |
| 1215 | L | 92.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 173.6 | -71.1 | 169.5 | 0 | 0 | 0 | 111.4 | E1142 A1143 V1146 I1167 V1168 A1171 T1211 M1212 A1218 V1219 | E1142-L1215 HydrophobicContact CB-CD1 3.7Å; A1143-L1215 HydrophobicContact CB-CD1 4.49Å; A1143-L1215 HydrophobicContact CB-CD2 3.8Å; V1146-L1215 HydrophobicContact CG2-CB 4.09Å; I1167-L1215 HydrophobicContact CG2-CD2 4.37Å; V1168-L1215 HydrophobicContact CG2-CD2 4.08Å; A1171-L1215 HydrophobicContact CB-CD2 3.73Å; A1171-L1215 HydrophobicContact CB-CG 4.17Å; T1211-L1215 WeakPolarHBondContact O-CB 3.46Å; T1211-L1215 VanDerWaalsContact O-CG 3.29Å; T1211-L1215 WeakPolarHBondContact O-CG 3.45Å; T1211-L1215 PolarHBondContact O-N 3.43Å; M1212-L1215 HydrophobicContact SD-CD1 4.36Å; L1215-A1218 PolarHBondContact O-N 2.92Å; L1215-V1219 WeakPolarHBondContact O-CB 3.49Å; L1215-V1219 VanDerWaalsContact O-CG2 3.26Å; L1215-V1219 WeakPolarHBondContact O-CG2 3.37Å; L1215-V1219 PolarHBondContact O-N 3.02Å |
| 1216 | T | 89.6 | Confident | 82.9 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | L1003 M1007 M1212 T1213 Y1214 A1220 | L1003-T1216 HydrophobicContact CD2-CG2 3.83Å; L1003-T1216 WeakPolarHBondContact CD2-OG1 3.25Å; M1007-T1216 HydrophobicContact CG-CG2 3.91Å; M1007-T1216 HydrophobicContact SD-CG2 4.1Å; M1212-T1216 WeakPolarHBondContact O-CB 3.12Å; M1212-T1216 PolarHBondContact O-N 3.44Å; M1212-T1216 PolarHBondContact O-OG1 3.3Å; T1213-T1216 PolarHBondContact O-N 2.88Å; Y1214-T1216 VanDerWaalsContact C-N 3.3Å; Y1214-T1216 PolarHBondContact O-N 3.28Å; T1216-A1220 WeakPolarHBondContact O-CB 3.21Å; T1216-A1220 PolarHBondContact O-N 3.26Å |
| 1217 | R | 89.6 | Confident | 81.9 | Confident | 105 Ų | 105 | 45.1 Ų | 45.1 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 173.5 | -71 | 170 | 65.5 | -172.9 | 0.7 | 111.1 | L1174 D1178 T1213 Y1214 A1220 S1221 | L1174-R1217 HydrophobicContact CD1-CB 3.83Å; D1178-R1217 IonicContact OD2-NH1 2.83Å; D1178-R1217 PolarHBondContact OD2-NH1 3.23Å; D1178-R1217 VanDerWaalsContact OD2-NH1 3.14Å; T1213-R1217 WeakPolarHBondContact O-CG 3.5Å; T1213-R1217 PolarHBondContact O-N 2.96Å; Y1214-R1217 PolarHBondContact O-N 3.48Å; R1217-A1220 PolarHBondContact O-N 3.44Å; R1217-S1221 PolarHBondContact O-N 3.22Å; R1217-S1221 PolarHBondContact O-OG 2.9Å |
| 1218 | A | 91.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1167 M1170 A1171 Y1214 L1215 A1220 S1221 H1222 | I1167-A1218 HydrophobicContact CG2-CB 4.04Å; I1167-A1218 WeakPolarHBondContact O-CB 3.37Å; M1170-A1218 HydrophobicContact CB-CB 3.9Å; A1171-A1218 HydrophobicContact CB-CB 3.94Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.11Å; Y1214-A1218 PolarHBondContact O-N 3.45Å; L1215-A1218 PolarHBondContact O-N 2.92Å; A1218-A1220 VanDerWaalsContact C-N 3.34Å; A1218-A1220 PolarHBondContact O-N 3.09Å; A1218-S1221 PolarHBondContact O-N 3.14Å; A1218-H1222 WeakPolarHBondContact O-CB 3.36Å; A1218-H1222 PolarHBondContact O-N 3.09Å |
| 1219 | V | 88.8 | Confident | 78.8 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 174.7 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | V1146 L1147 L1150 I1167 L1215 S1221 H1222 L1223 | V1146-V1219 HydrophobicContact CB-CG2 4.4Å; V1146-V1219 HydrophobicContact CG1-CB 4.22Å; V1146-V1219 HydrophobicContact CG1-CG2 3.86Å; L1147-V1219 HydrophobicContact CD2-CB 4.47Å; L1147-V1219 HydrophobicContact CD2-CG1 3.75Å; L1147-V1219 HydrophobicContact CD2-CG2 3.89Å; L1147-V1219 HydrophobicContact CG-CG2 4.07Å; L1150-V1219 HydrophobicContact CD1-CG1 4Å; I1167-V1219 HydrophobicContact CD1-CG2 4.23Å; I1167-V1219 HydrophobicContact CG2-CG2 3.64Å; L1215-V1219 WeakPolarHBondContact O-CB 3.49Å; L1215-V1219 VanDerWaalsContact O-CG2 3.26Å; L1215-V1219 WeakPolarHBondContact O-CG2 3.37Å; L1215-V1219 PolarHBondContact O-N 3.02Å; V1219-S1221 PolarHBondContact O-N 3.45Å; V1219-H1222 PolarHBondContact O-N 3.12Å; V1219-L1223 HydrophobicContact CG1-CD1 3.71Å; V1219-L1223 HydrophobicContact CG1-CG 4.32Å; V1219-L1223 WeakPolarHBondContact O-CD1 3.46Å; V1219-L1223 VanDerWaalsContact O-CG 3.22Å; V1219-L1223 WeakPolarHBondContact O-CG 3.37Å; V1219-L1223 PolarHBondContact O-N 3.45Å |
| 1220 | A | 85.5 | Confident | 76.8 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1216 R1217 A1218 Q1224 | T1216-A1220 WeakPolarHBondContact O-CB 3.21Å; T1216-A1220 PolarHBondContact O-N 3.26Å; R1217-A1220 PolarHBondContact O-N 3.44Å; A1218-A1220 VanDerWaalsContact C-N 3.34Å; A1218-A1220 PolarHBondContact O-N 3.09Å; A1220-Q1224 PolarHBondContact O-N 2.66Å |
| 1221 | S | 85.3 | Confident | 74.4 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.8 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | R1217 A1218 V1219 L1223 Q1224 | R1217-S1221 PolarHBondContact O-N 3.22Å; R1217-S1221 PolarHBondContact O-OG 2.9Å; A1218-S1221 PolarHBondContact O-N 3.14Å; V1219-S1221 PolarHBondContact O-N 3.45Å; S1221-L1223 VanDerWaalsContact C-N 3.34Å; S1221-L1223 PolarHBondContact O-N 3.48Å; S1221-Q1224 WeakPolarHBondContact O-CB 3.32Å; S1221-Q1224 PolarHBondContact O-N 2.98Å |
| 1222 | H | 82.4 | Confident | 71.6 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.032 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -35.4 | -178.5 | -168.5 | 69.9 | 0 | 0 | 0 | 112.5 | Q1166 I1167 M1170 A1218 V1219 E1225 L1226 | Q1166-H1222 PolarHBondContact OE1-CE1 2.97Å; I1167-H1222 HydrophobicContact CG1-CB 4.13Å; M1170-H1222 HydrophobicContact SD-CB 4.42Å; A1218-H1222 WeakPolarHBondContact O-CB 3.36Å; A1218-H1222 PolarHBondContact O-N 3.09Å; V1219-H1222 PolarHBondContact O-N 3.12Å; H1222-E1225 PolarHBondContact O-N 3.33Å; H1222-L1226 PolarHBondContact O-N 3.19Å |
| 1223 | L | 75.8 | Confident | 69 | Low | 26 Ų | 26 | 67.6 Ų | 67.6 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.3 | -30.2 | 176.6 | -68.8 | 167.2 | 0 | 0 | 0 | 113.4 | L1150 I1158 V1219 S1221 E1225 L1226 L1227 | L1150-L1223 HydrophobicContact CD1-CD1 3.4Å; L1150-L1223 VanDerWaalsContact CD1-CD1 3.4Å; L1150-L1223 HydrophobicContact CD1-CD2 4.3Å; L1150-L1223 HydrophobicContact CD1-CG 4.41Å; L1150-L1223 HydrophobicContact CD2-CD1 3.95Å; L1150-L1223 HydrophobicContact CG-CD1 4.31Å; I1158-L1223 HydrophobicContact CG2-CD2 3.5Å; V1219-L1223 HydrophobicContact CG1-CD1 3.71Å; V1219-L1223 HydrophobicContact CG1-CG 4.32Å; V1219-L1223 WeakPolarHBondContact O-CD1 3.46Å; V1219-L1223 VanDerWaalsContact O-CG 3.22Å; V1219-L1223 WeakPolarHBondContact O-CG 3.37Å; V1219-L1223 PolarHBondContact O-N 3.45Å; S1221-L1223 VanDerWaalsContact C-N 3.34Å; S1221-L1223 PolarHBondContact O-N 3.48Å; L1223-E1225 PolarHBondContact O-N 3.28Å; L1223-L1226 PolarHBondContact O-N 3.26Å; L1223-L1227 WeakPolarHBondContact O-CG 3.29Å; L1223-L1227 PolarHBondContact O-N 3.29Å; L1223-L1227 VanDerWaalsContact O-N 3.08Å |
| 1224 | Q | 72.8 | Confident | 66.1 | Low | 112 Ų | 112 | 73.9 Ų | 73.9 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -29.3 | 174.3 | -75.8 | 178.5 | -18.2 | 0 | 0 | 111.9 | A1220 S1221 | A1220-Q1224 PolarHBondContact O-N 2.66Å; S1221-Q1224 WeakPolarHBondContact O-CB 3.32Å; S1221-Q1224 PolarHBondContact O-N 2.98Å |
| 1225 | E | 66.7 | Low | 63 | Low | 149 Ų | 149 | 86.6 Ų | 86.6 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -79.9 | -24.2 | 177.5 | -62.4 | 178.9 | 170.5 | 0 | 0 | 113 | H1222 L1223 | H1222-E1225 PolarHBondContact O-N 3.33Å; L1223-E1225 PolarHBondContact O-N 3.28Å |
| 1226 | L | 63.3 | Low | 61.5 | Low | 45 Ų | 45 | 91 Ų | 91 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -93.8 | -23.6 | -176 | -73.5 | 167.9 | 0 | 0 | 0 | 114.1 | I1162 H1222 L1223 | I1162-L1226 HydrophobicContact CG1-CD1 4.25Å; H1222-L1226 PolarHBondContact O-N 3.19Å; L1223-L1226 PolarHBondContact O-N 3.26Å |
| 1227 | L | 58.9 | Low | 60 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -63.6 | 135.2 | 173.9 | -73.3 | 166.1 | 0 | 0 | 0 | 109 | L1223 N1229 | L1223-L1227 WeakPolarHBondContact O-CG 3.29Å; L1223-L1227 PolarHBondContact O-N 3.29Å; L1223-L1227 VanDerWaalsContact O-N 3.08Å; L1227-N1229 PolarHBondContact O-N 2.91Å; L1227-N1229 VanDerWaalsContact O-N 3.09Å |
| 1228 | P | 47.3 | Very low | 58.4 | Low | 101 Ų | 101 | 93.9 Ų | 93.9 | 66% | 0.656 | 53% | 0.527 | S | S | * | . | trans | -57.2 | 124 | 175.4 | 22.4 | -30.3 | 0 | 0 | 0 | 108.4 | S1230 | P1228-S1230 PolarHBondContact O-N 3.22Š| ||
| 1229 | N | 40.3 | Very low | 56.5 | Low | 163 Ų | 163 | 99.5 Ų | 99.5 | 87% | 0.872 | 56% | 0.558 | S | S | * | * | trans | -59.6 | 91.8 | 157.8 | -84.3 | -27.3 | 0 | 0 | 0 | 106 | L1227 G1231 | L1227-N1229 PolarHBondContact O-N 2.91Å; L1227-N1229 VanDerWaalsContact O-N 3.09Å; N1229-G1231 PolarHBondContact O-N 3.09Å | ||
| 1230 | S | 37.3 | Very low | 54.5 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | trans | -66.4 | 73.5 | 165.4 | -55.1 | 0 | 0 | 0 | 0 | 107.7 | P1228 C1232 | P1228-S1230 PolarHBondContact O-N 3.22Å; S1230-C1232 PolarHBondContact O-N 3.06Å | ||
| 1231 | G | 36.1 | Very low | 52.4 | Low | 76 Ų | 76 | 110.2 Ų | 110.2 | 78% | 0.784 | 61% | 0.612 | S | S | * | * | trans | -64.3 | 79.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | N1229 | N1229-G1231 PolarHBondContact O-N 3.09Š| ||
| 1232 | C | 30.3 | Very low | 50 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | trans | -151.6 | 87.3 | 152.3 | -127.2 | 0 | 0 | 0 | 0 | 107.5 | S1230 M1234 | S1230-C1232 PolarHBondContact O-N 3.06Å; C1232-M1234 PolarHBondContact O-N 3.11Å; C1232-M1234 VanDerWaalsContact O-N 3.14Å | ||
| 1233 | Q | 35.2 | Very low | 47.5 | Very low | 189 Ų | 189 | 122.8 Ų | 122.8 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -53.4 | 110.5 | 149.8 | -74.4 | 176.3 | -31.1 | 0 | 0 | 107.3 | ||||
| 1234 | M | 27.2 | Very low | 45.2 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 85% | 0.847 | 72% | 0.721 | S | S | * | * | trans | 159.8 | 118.7 | 143.1 | -82.9 | -105.4 | 133.8 | 0 | 0 | 110.7 | C1232 | C1232-M1234 PolarHBondContact O-N 3.11Å; C1232-M1234 VanDerWaalsContact O-N 3.14Å | ||
| 1235 | Q | 27.1 | Very low | 42.7 | Very low | 267 Ų | 267 | 132.5 Ų | 132.5 | 100% | 1.248 | 74% | 0.739 | S | S | * | * | trans | 86.6 | 0 | 163.9 | -67.8 | -173.9 | -16.9 | 0 | 0 | 119.1 |
Retrieved 1,235 of 1,235 residues in 344.1 ms
(Link to these results)