| 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 | 53.1 | Low | 79.7 | Confident | 238 Ų | 238 | 123 Ų | 123 | 100% | 1.172 | 56% | 0.557 | S | S | * | * | 0 | 126.6 | 0 | -174.2 | 175.2 | -174.5 | 0 | 0 | 109.2 | |||||
| 2 | M | 68 | Low | 81 | Confident | 34 Ų | 34 | 116.2 Ų | 116.2 | 17% | 0.167 | 53% | 0.528 | C | S | . | . | trans | -96.6 | 123 | -174.5 | -160.8 | -179.2 | 64.9 | 0 | 0 | 112.2 | R4 Q8 K156 | M2-R4 WeakPolarHBondContact CE-O 3.4Å; M2-R4 PolarHBondContact O-N 3.42Å; M2-Q8 HydrophobicContact CE-CB 3.25Å; M2-Q8 HydrophobicContact CE-CG 3.64Å; M2-Q8 HydrophobicContact SD-CB 4.3Å; M2-Q8 HydrophobicContact SD-CG 4.18Å; M2-K156 HydrophobicContact SD-CD 4.04Å; M2-K156 WeakPolarHBondContact SD-CE 3.33Å; M2-K156 HydrophobicContact SD-CG 3.67Å | ||
| 3 | R | 75.5 | Confident | 82.2 | Confident | 237 Ų | 237 | 118.8 Ų | 118.8 | 89% | 0.894 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -63.1 | -41.5 | -175.3 | -179.4 | 179 | 162.2 | 163.4 | -2.7 | 113.8 | ||
| 4 | R | 75.9 | Confident | 83.2 | Confident | 142 Ų | 142 | 113.2 Ų | 113.2 | 54% | 0.536 | 52% | 0.523 | S | S | . | . | trans | -107.6 | 77 | -178.2 | -69.6 | -174.7 | 176.5 | -180 | -2.2 | 110.9 | M2 K6 R7 | M2-R4 WeakPolarHBondContact CE-O 3.4Å; M2-R4 PolarHBondContact O-N 3.42Å; R4-K6 PolarHBondContact O-N 3.06Å; R4-K6 VanDerWaalsContact O-N 3.1Å; R4-R7 HydrophobicContact CB-CG 4.35Å; R4-R7 VanDerWaalsContact NH1-CZ 3.27Å; R4-R7 VanDerWaalsContact NH1-NH1 3.19Å; R4-R7 PolarHBondContact O-N 3.02Å | ||
| 5 | K | 74 | Confident | 84.1 | Confident | 157 Ų | 157 | 106.3 Ų | 106.3 | 68% | 0.683 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -50.5 | -35.3 | -177.4 | -67.8 | -173.9 | 178.8 | -176.2 | 0 | 114.2 | R7 Q8 | K5-R7 PolarHBondContact O-N 3.12Å; K5-R7 VanDerWaalsContact O-N 3.12Å; K5-Q8 VanDerWaalsContact O-CB 3.3Å; K5-Q8 WeakPolarHBondContact O-CB 3.13Å; K5-Q8 PolarHBondContact O-N 3.4Å |
| 6 | K | 79.6 | Confident | 85 | Confident | 206 Ų | 206 | 104.2 Ų | 104.2 | 90% | 0.896 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -59.5 | -22.6 | 177 | -174.7 | 173.2 | -179.5 | 176.8 | 0 | 114.2 | R4 Q8 | R4-K6 PolarHBondContact O-N 3.06Å; R4-K6 VanDerWaalsContact O-N 3.1Å; K6-Q8 VanDerWaalsContact C-N 3.35Å |
| 7 | R | 85.5 | Confident | 85.7 | Confident | 48 Ų | 48 | 101.9 Ų | 101.9 | 18% | 0.181 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -89.1 | -1.9 | 177 | -66.5 | -166.3 | 172.7 | 175.3 | -7.6 | 113 | R4 K5 V9 Y97 K156 E157 N158 | R4-R7 HydrophobicContact CB-CG 4.35Å; R4-R7 VanDerWaalsContact NH1-CZ 3.27Å; R4-R7 VanDerWaalsContact NH1-NH1 3.19Å; R4-R7 PolarHBondContact O-N 3.02Å; K5-R7 PolarHBondContact O-N 3.12Å; K5-R7 VanDerWaalsContact O-N 3.12Å; R7-V9 PolarHBondContact O-N 3.27Å; R7-Y97 PolarHBondContact NH1-OH 3.06Å; R7-Y97 VanDerWaalsContact NH1-OH 3.14Å; R7-K156 CarbonylContact O-C 3.52Å; R7-K156 WeakPolarHBondContact O-CA 3.25Å; R7-E157 VanDerWaalsContact CB-O 3.26Å; R7-E157 WeakPolarHBondContact CB-O 3.22Å; R7-E157 VanDerWaalsContact CG-O 3.25Å; R7-E157 WeakPolarHBondContact CG-O 3.24Å; R7-E157 PolarHBondContact O-N 3.18Å; R7-N158 PolarHBondContact NH2-OD1 3.47Å |
| 8 | Q | 91.3 | Very high | 86.3 | Confident | 87 Ų | 87 | 96.4 Ų | 96.4 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.4 | -179.8 | -150.6 | 169.3 | -40.4 | 0 | 0 | 108.1 | M2 K5 K6 T10 | M2-Q8 HydrophobicContact CE-CB 3.25Å; M2-Q8 HydrophobicContact CE-CG 3.64Å; M2-Q8 HydrophobicContact SD-CB 4.3Å; M2-Q8 HydrophobicContact SD-CG 4.18Å; K5-Q8 VanDerWaalsContact O-CB 3.3Å; K5-Q8 WeakPolarHBondContact O-CB 3.13Å; K5-Q8 PolarHBondContact O-N 3.4Å; K6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-T10 HydrophobicContact CG-CG2 4.24Å |
| 9 | V | 89.9 | Confident | 87 | Confident | 11 Ų | 11 | 91.4 Ų | 91.4 | 7% | 0.067 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.1 | 165.1 | -175.7 | 0 | 0 | 0 | 0 | 106.8 | R7 D11 I15 M155 E157 | R7-V9 PolarHBondContact O-N 3.27Å; V9-D11 HydrophobicContact CG1-CB 4.46Å; V9-I15 HydrophobicContact CG1-CG1 4.17Å; V9-M155 HydrophobicContact CB-CB 4Å; V9-M155 HydrophobicContact CB-CE 4.43Å; V9-M155 HydrophobicContact CB-CG 3.81Å; V9-M155 HydrophobicContact CB-SD 3.9Å; V9-M155 HydrophobicContact CG1-CE 4.39Å; V9-M155 HydrophobicContact CG1-CG 4.46Å; V9-M155 HydrophobicContact CG1-SD 3.89Å; V9-M155 HydrophobicContact CG2-CE 4.05Å; V9-M155 HydrophobicContact CG2-CG 3.94Å; V9-M155 HydrophobicContact CG2-SD 4.15Å; V9-M155 PolarHBondContact N-O 2.83Å; V9-E157 HydrophobicContact CG2-CB 3.89Å; V9-E157 HydrophobicContact CG2-CG 3.44Å; V9-E157 VanDerWaalsContact CG2-CG 3.44Å |
| 10 | T | 90.7 | Very high | 87.5 | Confident | 116 Ų | 116 | 90.1 Ų | 90.1 | 71% | 0.712 | 42% | 0.418 | S | S | * | . | trans | -109.4 | -11.4 | 174.6 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | Q8 L12 | Q8-T10 HydrophobicContact CG-CG2 4.24Å; T10-L12 PolarHBondContact O-N 3.1Å | ||
| 11 | D | 93.7 | Very high | 87.9 | Confident | 77 Ų | 77 | 91.5 Ų | 91.5 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | trans | -71.8 | 120 | 174.8 | 173.8 | 56 | 0 | 0 | 0 | 110.4 | V9 E13 S14 I15 | V9-D11 HydrophobicContact CG1-CB 4.46Å; D11-E13 VanDerWaalsContact C-N 3.33Å; D11-E13 PolarHBondContact O-N 3.45Å; D11-S14 VanDerWaalsContact OD2-CB 3.24Å; D11-S14 WeakPolarHBondContact OD2-CB 3.35Å; D11-S14 PolarHBondContact OD2-N 3.2Å; D11-S14 PolarHBondContact OD2-OG 3.27Å; D11-I15 WeakPolarHBondContact O-CG1 3.5Å; D11-I15 PolarHBondContact O-N 3.05Å | ||
| 12 | L | 95.2 | Very high | 90 | Very high | 41 Ų | 41 | 80.7 Ų | 80.7 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -32.7 | -175.4 | -177 | 64.9 | 0 | 0 | 0 | 111.9 | T10 I15 K16 W46 E49 | T10-L12 PolarHBondContact O-N 3.1Å; L12-I15 PolarHBondContact O-N 3.22Å; L12-K16 HydrophobicContact CG-CD 4.19Å; L12-K16 HydrophobicContact CG-CG 4.38Å; L12-K16 WeakPolarHBondContact O-CB 3.03Å; L12-K16 WeakPolarHBondContact O-CG 3.38Å; L12-K16 PolarHBondContact O-N 3.29Å; L12-W46 HydrophobicContact CD1-CH2 4.3Å; L12-W46 HydrophobicContact CD1-CZ3 4Å; L12-E49 HydrophobicContact CD2-CG 3.93Å |
| 13 | E | 96.4 | Very high | 91.4 | Very high | 151 Ų | 151 | 82.2 Ų | 82.2 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 179.4 | -172.1 | 178.3 | 178.5 | 0 | 0 | 111.1 | D11 I15 K16 N17 | D11-E13 VanDerWaalsContact C-N 3.33Å; D11-E13 PolarHBondContact O-N 3.45Å; E13-I15 VanDerWaalsContact C-N 3.28Å; E13-I15 PolarHBondContact O-N 3.07Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-N17 WeakPolarHBondContact O-CB 3.4Å; E13-N17 PolarHBondContact O-N 2.84Å |
| 14 | S | 95.5 | Very high | 92.5 | Very high | 40 Ų | 40 | 73.5 Ų | 73.5 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 173.4 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | D11 N17 L18 | D11-S14 VanDerWaalsContact OD2-CB 3.24Å; D11-S14 WeakPolarHBondContact OD2-CB 3.35Å; D11-S14 PolarHBondContact OD2-N 3.2Å; D11-S14 PolarHBondContact OD2-OG 3.27Å; S14-N17 PolarHBondContact O-N 3.03Å; S14-L18 PolarHBondContact O-N 3.02Å; S14-L18 VanDerWaalsContact O-N 3.13Å |
| 15 | I | 97.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -47.8 | 175.4 | -65.3 | 169.1 | 0 | 0 | 0 | 110.9 | V9 D11 L12 E13 N17 L18 V19 W46 L100 Y153 M155 | V9-I15 HydrophobicContact CG1-CG1 4.17Å; D11-I15 WeakPolarHBondContact O-CG1 3.5Å; D11-I15 PolarHBondContact O-N 3.05Å; L12-I15 PolarHBondContact O-N 3.22Å; E13-I15 VanDerWaalsContact C-N 3.28Å; E13-I15 PolarHBondContact O-N 3.07Å; I15-N17 VanDerWaalsContact C-N 3.3Å; I15-N17 PolarHBondContact O-N 3.19Å; I15-L18 PolarHBondContact O-N 2.64Å; I15-V19 WeakPolarHBondContact O-CG2 3.26Å; I15-V19 PolarHBondContact O-N 3.11Å; I15-V19 VanDerWaalsContact O-N 3.14Å; I15-W46 HydrophobicContact CG2-CH2 3.95Å; I15-W46 HydrophobicContact CG2-CZ2 4.41Å; I15-L100 HydrophobicContact CG2-CD1 3.88Å; I15-Y153 HydrophobicContact CD1-CE2 4.01Å; I15-Y153 HydrophobicContact CG2-CD2 4.23Å; I15-Y153 HydrophobicContact CG2-CE2 3.84Å; I15-M155 HydrophobicContact CB-SD 4.21Å; I15-M155 HydrophobicContact CD1-CB 4.37Å; I15-M155 HydrophobicContact CG1-CB 3.84Å; I15-M155 HydrophobicContact CG1-CG 4.4Å; I15-M155 HydrophobicContact CG1-SD 3.64Å |
| 16 | K | 97.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 63 Ų | 63 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 176.7 | -75.8 | 179.5 | 173.4 | -179.3 | 0 | 111.7 | L12 E13 L18 V19 E20 W46 E48 | L12-K16 HydrophobicContact CG-CD 4.19Å; L12-K16 HydrophobicContact CG-CG 4.38Å; L12-K16 WeakPolarHBondContact O-CB 3.03Å; L12-K16 WeakPolarHBondContact O-CG 3.38Å; L12-K16 PolarHBondContact O-N 3.29Å; E13-K16 PolarHBondContact O-N 2.93Å; K16-L18 PolarHBondContact O-N 3.05Å; K16-V19 PolarHBondContact O-N 2.8Å; K16-E20 WeakPolarHBondContact O-CB 3.07Å; K16-E20 PolarHBondContact O-N 3.3Å; K16-W46 HydrophobicContact CB-CZ2 4.46Å; K16-W46 HydrophobicContact CD-CD2 4.42Å; K16-W46 HydrophobicContact CG-CD2 4.05Å; K16-W46 HydrophobicContact CG-CG 4.49Å; K16-W46 HydrophobicContact CG-CH2 4.29Å; K16-W46 HydrophobicContact CG-CZ2 3.68Å; K16-E48 PolarHBondContact NZ-O 3.06Å |
| 17 | N | 96.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 178 | 177.7 | 60.8 | 0 | 0 | 0 | 113 | E13 S14 I15 K21 | E13-N17 WeakPolarHBondContact O-CB 3.4Å; E13-N17 PolarHBondContact O-N 2.84Å; S14-N17 PolarHBondContact O-N 3.03Å; I15-N17 VanDerWaalsContact C-N 3.3Å; I15-N17 PolarHBondContact O-N 3.19Å; N17-K21 WeakPolarHBondContact O-CB 3.38Å; N17-K21 WeakPolarHBondContact O-CG 3.22Å; N17-K21 PolarHBondContact O-N 3.15Å; N17-K21 VanDerWaalsContact O-N 3.09Å; N17-K21 WeakPolarHBondContact OD1-CE 3.45Å; N17-K21 PolarHBondContact OD1-NZ 3.26Å |
| 18 | L | 97.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 172.4 | 176.3 | 63.7 | 0 | 0 | 0 | 111.1 | S14 I15 K16 K21 S22 Q98 L100 M155 | S14-L18 PolarHBondContact O-N 3.02Å; S14-L18 VanDerWaalsContact O-N 3.13Å; I15-L18 PolarHBondContact O-N 2.64Å; K16-L18 PolarHBondContact O-N 3.05Å; L18-K21 PolarHBondContact O-N 2.98Å; L18-S22 WeakPolarHBondContact O-CB 3.08Å; L18-S22 PolarHBondContact O-N 3.21Å; L18-S22 PolarHBondContact O-OG 2.94Å; L18-Q98 HydrophobicContact CD1-CB 3.87Å; L18-Q98 HydrophobicContact CD2-CB 4.2Å; L18-L100 HydrophobicContact CD2-CB 3.87Å; L18-M155 HydrophobicContact CB-CE 4.05Å; L18-M155 HydrophobicContact CB-SD 4.22Å; L18-M155 HydrophobicContact CD2-CE 3.96Å; L18-M155 HydrophobicContact CD2-CG 4.15Å; L18-M155 HydrophobicContact CD2-SD 3.97Å |
| 19 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 178.6 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | I15 K16 K21 S22 F42 Y44 W46 L51 M77 L100 | I15-V19 WeakPolarHBondContact O-CG2 3.26Å; I15-V19 PolarHBondContact O-N 3.11Å; I15-V19 VanDerWaalsContact O-N 3.14Å; K16-V19 PolarHBondContact O-N 2.8Å; V19-K21 VanDerWaalsContact C-N 3.3Å; V19-K21 PolarHBondContact O-N 2.9Å; V19-S22 PolarHBondContact O-N 3.44Å; V19-F42 HydrophobicContact CG1-CE2 3.91Å; V19-F42 HydrophobicContact CG1-CZ 4.27Å; V19-Y44 HydrophobicContact CG1-CD1 3.9Å; V19-Y44 HydrophobicContact CG1-CD2 3.82Å; V19-Y44 HydrophobicContact CG1-CE1 4.15Å; V19-Y44 HydrophobicContact CG1-CE2 4.07Å; V19-Y44 HydrophobicContact CG1-CG 3.74Å; V19-W46 HydrophobicContact CB-CZ2 4.38Å; V19-W46 HydrophobicContact CG2-CZ2 3.95Å; V19-L51 HydrophobicContact CG1-CD1 4.25Å; V19-L51 HydrophobicContact CG1-CD2 4.44Å; V19-L51 HydrophobicContact CG2-CD2 3.82Å; V19-M77 HydrophobicContact CB-SD 4.33Å; V19-M77 HydrophobicContact CG2-CE 4.48Å; V19-M77 HydrophobicContact CG2-SD 3.86Å; V19-L100 HydrophobicContact CG2-CD1 4.09Å |
| 20 | E | 97.4 | Very high | 96.9 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 178.6 | 172.8 | 48.7 | -145 | 0 | 0 | 113.9 | K16 Y44 H125 K128 | K16-E20 WeakPolarHBondContact O-CB 3.07Å; K16-E20 PolarHBondContact O-N 3.3Å; E20-Y44 WeakPolarHBondContact CB-OH 3.44Å; E20-Y44 PolarHBondContact OE2-OH 2.96Å; E20-H125 PolarHBondContact O-NE2 3.03Å; E20-H125 IonicContact OE2-CD2 3.62Å; E20-K128 PolarHBondContact O-NZ 3.24Å; E20-K128 IonicContact OE1-NZ 2.86Å; E20-K128 PolarHBondContact OE1-NZ 3.14Å |
| 21 | K | 96.5 | Very high | 96.8 | Very high | 121 Ų | 121 | 48.3 Ų | 48.3 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -84.3 | -22.2 | 179 | -73.3 | 178.7 | 177.6 | 176.9 | 0 | 113.1 | N17 L18 V19 Q23 | N17-K21 WeakPolarHBondContact O-CB 3.38Å; N17-K21 WeakPolarHBondContact O-CG 3.22Å; N17-K21 PolarHBondContact O-N 3.15Å; N17-K21 VanDerWaalsContact O-N 3.09Å; N17-K21 WeakPolarHBondContact OD1-CE 3.45Å; N17-K21 PolarHBondContact OD1-NZ 3.26Å; L18-K21 PolarHBondContact O-N 2.98Å; V19-K21 VanDerWaalsContact C-N 3.3Å; V19-K21 PolarHBondContact O-N 2.9Å; K21-Q23 PolarHBondContact O-N 3.27Å |
| 22 | S | 97.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -82 | 116.6 | -174.4 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | L18 V19 F42 H125 | L18-S22 WeakPolarHBondContact O-CB 3.08Å; L18-S22 PolarHBondContact O-N 3.21Å; L18-S22 PolarHBondContact O-OG 2.94Å; V19-S22 PolarHBondContact O-N 3.44Å; S22-F42 WeakPolarHBondContact O-CE1 3.38Å; S22-F42 WeakPolarHBondContact O-CZ 3.3Å; S22-H125 PolarHBondContact O-CE1 2.86Å; S22-H125 PolarHBondContact O-NE2 3.21Å | ||
| 23 | Q | 97.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | trans | -87.7 | -12.6 | 179.2 | -69.5 | -67.8 | -57.9 | 0 | 0 | 113.8 | K21 N41 H125 | K21-Q23 PolarHBondContact O-N 3.27Å; Q23-N41 PolarHBondContact O-ND2 2.98Å; Q23-H125 PolarHBondContact NE2-NE2 3.49Å; Q23-H125 PolarHBondContact NE2-O 2.79Å; Q23-H125 VanDerWaalsContact NE2-O 3.09Å | ||
| 24 | V | 98.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | trans | -131.3 | 133.1 | -176.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | P39 V40 | V24-P39 HydrophobicContact CG1-CB 3.62Å; V24-V40 WeakPolarHBondContact CA-O 3.43Å | ||
| 25 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.6 | 166 | 65.6 | 0 | 0 | 0 | 0 | 108.7 | P39 V40 F42 L53 V75 E76 M77 | V25-P39 WeakPolarHBondContact O-CA 3.46Å; V25-V40 HydrophobicContact CG1-CG2 3.68Å; V25-V40 PolarHBondContact N-O 2.76Å; V25-V40 WeakPolarHBondContact O-CG2 3.31Å; V25-V40 PolarHBondContact O-N 3.41Å; V25-F42 HydrophobicContact CB-CD1 3.79Å; V25-F42 HydrophobicContact CB-CE1 4.04Å; V25-F42 HydrophobicContact CB-CG 4.41Å; V25-F42 HydrophobicContact CG1-CB 3.9Å; V25-F42 HydrophobicContact CG1-CD1 3.63Å; V25-F42 HydrophobicContact CG1-CE1 4.38Å; V25-F42 HydrophobicContact CG1-CG 3.92Å; V25-L53 HydrophobicContact CG2-CD1 4.11Å; V25-V75 HydrophobicContact CG2-CB 3.84Å; V25-V75 HydrophobicContact CG2-CG1 4.42Å; V25-E76 WeakPolarHBondContact CG2-O 3.27Å; V25-M77 HydrophobicContact CB-CE 4.15Å; V25-M77 HydrophobicContact CG2-CE 3.83Å |
| 26 | R | 98.7 | Very high | 96.2 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.9 | 173.7 | -69.8 | 69.2 | 171 | -120.5 | 19.1 | 106.9 | V37 V38 P39 V75 E76 D78 | R26-V37 HydrophobicContact CB-CG1 4.04Å; R26-V38 WeakPolarHBondContact CA-O 3.49Å; R26-P39 HydrophobicContact CG-CB 4.4Å; R26-V75 CarbonylContact O-C 3.51Å; R26-V75 VanDerWaalsContact O-CA 3.27Å; R26-V75 WeakPolarHBondContact O-CA 3.48Å; R26-E76 IonicContact CZ-OE2 3.98Å; R26-E76 PolarHBondContact N-O 2.97Å; R26-E76 IonicContact NH1-OE1 3.17Å; R26-E76 IonicContact NH1-OE2 3.33Å; R26-E76 PolarHBondContact NH1-OE2 2.85Å; R26-E76 PolarHBondContact O-N 3.18Å; R26-D78 IonicContact CZ-OD1 3.07Å; R26-D78 IonicContact NH1-OD1 2.66Å; R26-D78 PolarHBondContact NH1-OD1 2.99Å; R26-D78 IonicContact NH1-OD2 3.48Å; R26-D78 IonicContact NH2-OD1 3.05Å; R26-D78 PolarHBondContact NH2-OD1 2.83Å |
| 27 | I | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.5 | 172.3 | -53.6 | 165.8 | 0 | 0 | 0 | 107.4 | L29 V37 V38 V40 V55 V73 I148 | I27-L29 HydrophobicContact CG2-CD2 4.28Å; I27-L29 HydrophobicContact CG2-CG 4.07Å; I27-V37 VanDerWaalsContact O-CA 3.31Å; I27-V37 WeakPolarHBondContact O-CA 3.23Å; I27-V38 HydrophobicContact CB-CG1 4.36Å; I27-V38 PolarHBondContact N-O 2.84Å; I27-V38 PolarHBondContact O-N 3.46Å; I27-V40 HydrophobicContact CD1-CG2 3.7Å; I27-V40 HydrophobicContact CG1-CG2 4.01Å; I27-V55 HydrophobicContact CD1-CB 4.42Å; I27-V55 HydrophobicContact CD1-CG1 4.27Å; I27-V55 HydrophobicContact CD1-CG2 4.06Å; I27-V73 HydrophobicContact CG2-CB 4.19Å; I27-V73 HydrophobicContact CG2-CG1 4.28Å; I27-I148 HydrophobicContact CD1-CD1 3.62Å; I27-I148 HydrophobicContact CG1-CD1 3.8Å; I27-I148 HydrophobicContact CG2-CD1 4.19Å |
| 28 | A | 98.4 | Very high | 96.2 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y36 V37 V73 A74 | A28-Y36 CarbonylContact C-O 3.33Å; A28-Y36 WeakPolarHBondContact CA-O 3.43Å; A28-V37 HydrophobicContact CB-CG2 3.97Å; A28-V73 WeakPolarHBondContact O-CA 3.49Å; A28-A74 HydrophobicContact CB-CB 4.2Å; A28-A74 PolarHBondContact N-O 3.44Å; A28-A74 PolarHBondContact O-N 2.83Å |
| 29 | L | 98 | Very high | 96.2 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.6 | 177.9 | -66.8 | 162.8 | 0 | 0 | 0 | 109.3 | I27 G31 Y36 K63 M66 I67 V73 | I27-L29 HydrophobicContact CG2-CD2 4.28Å; I27-L29 HydrophobicContact CG2-CG 4.07Å; L29-G31 PolarHBondContact O-N 2.81Å; L29-Y36 HydrophobicContact CD1-CD1 4.07Å; L29-Y36 PolarHBondContact N-O 3.04Å; L29-Y36 PolarHBondContact O-N 3.02Å; L29-K63 HydrophobicContact CD1-CB 4.23Å; L29-K63 HydrophobicContact CD1-CG 4.14Å; L29-M66 HydrophobicContact CB-CB 4.44Å; L29-M66 HydrophobicContact CB-CE 3.77Å; L29-M66 HydrophobicContact CB-SD 4.4Å; L29-M66 HydrophobicContact CD1-CB 4.39Å; L29-I67 HydrophobicContact CD2-CD1 4.32Å; L29-I67 HydrophobicContact CD2-CG1 3.59Å; L29-V73 HydrophobicContact CD2-CG1 3.56Å |
| 30 | N | 95.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 68.7 Ų | 68.7 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | trans | -67.7 | 115 | 172.1 | -69 | -29.9 | 0 | 0 | 0 | 109 | M66 D70 | N30-M66 VanDerWaalsContact C-CE 3.44Å; N30-M66 WeakPolarHBondContact O-CE 3.37Å; N30-D70 PolarHBondContact ND2-OD2 2.82Å | ||
| 31 | G | 89.3 | Confident | 96.2 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | trans | -103.5 | 169.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L29 Y34 | L29-G31 PolarHBondContact O-N 2.81Å; G31-Y34 WeakPolarHBondContact CA-O 3.38Å | ||
| 32 | E | 85.5 | Confident | 96.3 | Very high | 181 Ų | 181 | 63.4 Ų | 63.4 | 85% | 0.846 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -67 | -61.7 | -176.7 | -64.8 | 175.4 | -169.6 | 0 | 0 | 110.8 | ||
| 33 | D | 92.7 | Very high | 96.3 | Very high | 141 Ų | 141 | 63 Ų | 63 | 75% | 0.754 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -90.4 | -32.2 | 179.7 | -63.2 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 34 | Y | 94.8 | Very high | 96.4 | Very high | 185 Ų | 185 | 61.8 Ų | 61.8 | 73% | 0.725 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -142.8 | 145.8 | -175.2 | -59.3 | -80.6 | 0 | 0 | 0 | 111.1 | G31 Y36 | G31-Y34 WeakPolarHBondContact CA-O 3.38Å; Y34-Y36 PolarHBondContact O-N 2.79Å |
| 35 | P | 95.5 | Very high | 96.4 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | trans | -55.8 | 137 | 163.7 | -20.9 | 32.4 | 0 | 0 | 0 | 110.4 | ||||
| 36 | Y | 96.7 | Very high | 96.4 | Very high | 69 Ų | 69 | 64.3 Ų | 64.3 | 27% | 0.271 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.4 | 176.1 | -178.8 | -107.3 | 0 | 0 | 0 | 109.8 | A28 L29 Y34 V38 K62 K63 M66 | A28-Y36 CarbonylContact C-O 3.33Å; A28-Y36 WeakPolarHBondContact CA-O 3.43Å; L29-Y36 HydrophobicContact CD1-CD1 4.07Å; L29-Y36 PolarHBondContact N-O 3.04Å; L29-Y36 PolarHBondContact O-N 3.02Å; Y34-Y36 PolarHBondContact O-N 2.79Å; Y36-V38 HydrophobicContact CE1-CB 3.95Å; Y36-V38 HydrophobicContact CE1-CG1 3.99Å; Y36-K62 HydrophobicContact CD2-CD 4.29Å; Y36-K62 HydrophobicContact CE2-CD 4.15Å; Y36-K63 HydrophobicContact CE1-CG 4.02Å; Y36-M66 HydrophobicContact CD1-SD 4.04Å; Y36-M66 HydrophobicContact CG-CE 4.4Å; Y36-M66 HydrophobicContact CG-SD 4.07Å |
| 37 | V | 97.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 66.1 Ų | 66.1 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | -178.9 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | R26 I27 A28 | R26-V37 HydrophobicContact CB-CG1 4.04Å; I27-V37 VanDerWaalsContact O-CA 3.31Å; I27-V37 WeakPolarHBondContact O-CA 3.23Å; A28-V37 HydrophobicContact CB-CG2 3.97Å |
| 38 | V | 96.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 12% | 0.121 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 127.7 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | R26 I27 Y36 V40 K63 | R26-V38 WeakPolarHBondContact CA-O 3.49Å; I27-V38 HydrophobicContact CB-CG1 4.36Å; I27-V38 PolarHBondContact N-O 2.84Å; I27-V38 PolarHBondContact O-N 3.46Å; Y36-V38 HydrophobicContact CE1-CB 3.95Å; Y36-V38 HydrophobicContact CE1-CG1 3.99Å; V38-V40 HydrophobicContact CG1-CG1 4.4Å; V38-V40 HydrophobicContact CG2-CG1 4.24Å; V38-K63 HydrophobicContact CG1-CD 3.89Å; V38-K63 HydrophobicContact CG1-CG 4.47Å |
| 39 | P | 97.9 | Very high | 96 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 135.6 | 171.2 | 31.4 | -32.8 | 0 | 0 | 0 | 110.3 | V24 V25 R26 | V24-P39 HydrophobicContact CG1-CB 3.62Å; V25-P39 WeakPolarHBondContact O-CA 3.46Å; R26-P39 HydrophobicContact CG-CB 4.4Å |
| 40 | V | 97.8 | Very high | 96 | Very high | 20 Ų | 20 | 82.2 Ų | 82.2 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.5 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | V24 V25 I27 V38 V55 | V24-V40 WeakPolarHBondContact CA-O 3.43Å; V25-V40 HydrophobicContact CG1-CG2 3.68Å; V25-V40 PolarHBondContact N-O 2.76Å; V25-V40 WeakPolarHBondContact O-CG2 3.31Å; V25-V40 PolarHBondContact O-N 3.41Å; I27-V40 HydrophobicContact CD1-CG2 3.7Å; I27-V40 HydrophobicContact CG1-CG2 4.01Å; V38-V40 HydrophobicContact CG1-CG1 4.4Å; V38-V40 HydrophobicContact CG2-CG1 4.24Å; V40-V55 HydrophobicContact CB-CG1 3.71Å; V40-V55 HydrophobicContact CG1-CG1 3.93Å; V40-V55 HydrophobicContact CG2-CB 4.3Å; V40-V55 HydrophobicContact CG2-CG1 3.62Å; V40-V55 HydrophobicContact CG2-CG2 3.67Å |
| 41 | N | 98 | Very high | 96.2 | Very high | 74 Ų | 74 | 77.8 Ų | 77.8 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | trans | -73.3 | 156.1 | 162.3 | -56.2 | 111.4 | 0 | 0 | 0 | 109.7 | Q23 | Q23-N41 PolarHBondContact O-ND2 2.98Š| ||
| 42 | F | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.009 | 38% | 0.381 | C | S | . | . | trans | -143.6 | 151.7 | -177.3 | 67.8 | -80.3 | 0 | 0 | 0 | 111.6 | V19 S22 V25 Y44 L53 Y54 V55 M77 H125 | V19-F42 HydrophobicContact CG1-CE2 3.91Å; V19-F42 HydrophobicContact CG1-CZ 4.27Å; S22-F42 WeakPolarHBondContact O-CE1 3.38Å; S22-F42 WeakPolarHBondContact O-CZ 3.3Å; V25-F42 HydrophobicContact CB-CD1 3.79Å; V25-F42 HydrophobicContact CB-CE1 4.04Å; V25-F42 HydrophobicContact CB-CG 4.41Å; V25-F42 HydrophobicContact CG1-CB 3.9Å; V25-F42 HydrophobicContact CG1-CD1 3.63Å; V25-F42 HydrophobicContact CG1-CE1 4.38Å; V25-F42 HydrophobicContact CG1-CG 3.92Å; F42-Y44 HydrophobicContact CD2-CD1 4.25Å; F42-Y44 AromaticContact CE2-CD1 3.76Å; F42-Y44 HydrophobicContact CE2-CD1 3.76Å; F42-Y44 HydrophobicContact CE2-CG 4.2Å; F42-L53 HydrophobicContact CD2-CD2 3.73Å; F42-L53 HydrophobicContact CE2-CD2 3.88Å; F42-Y54 CarbonylContact C-O 3.48Å; F42-Y54 WeakPolarHBondContact CA-O 3.26Å; F42-Y54 WeakPolarHBondContact CB-O 3.28Å; F42-V55 HydrophobicContact CB-CG2 4.01Å; F42-M77 HydrophobicContact CE1-CE 4.42Å; F42-M77 HydrophobicContact CE2-CE 4.43Å; F42-M77 HydrophobicContact CZ-CE 3.99Å; F42-M77 HydrophobicContact CZ-SD 4.37Å; F42-H125 AromaticContact CD2-ND1 3.99Å; F42-H125 AromaticContact CE1-CE1 3.72Å; F42-H125 AromaticContact CE2-CE1 3.55Å; F42-H125 AromaticContact CE2-ND1 3.85Å; F42-H125 AromaticContact CZ-CE1 3.35Å; F42-H125 WeakPolarHBondContact CZ-CE1 3.36Å; F42-H125 PolarHBondContact O-ND1 2.72Å | ||
| 43 | G | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 164.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L53 Y54 L121 | G43-L53 CarbonylContact O-C 3.57Å; G43-L53 WeakPolarHBondContact O-CA 3.29Å; G43-Y54 PolarHBondContact N-O 2.88Å; G43-Y54 PolarHBondContact O-N 2.86Å; G43-L121 WeakPolarHBondContact CA-O 3.44Å |
| 44 | Y | 98.7 | Very high | 97.5 | Very high | 41 Ų | 41 | 62 Ų | 62 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 159.3 | 178.3 | 70.9 | -86.1 | 0 | 0 | 0 | 112.2 | V19 E20 F42 W46 L51 T52 H125 | V19-Y44 HydrophobicContact CG1-CD1 3.9Å; V19-Y44 HydrophobicContact CG1-CD2 3.82Å; V19-Y44 HydrophobicContact CG1-CE1 4.15Å; V19-Y44 HydrophobicContact CG1-CE2 4.07Å; V19-Y44 HydrophobicContact CG1-CG 3.74Å; E20-Y44 WeakPolarHBondContact CB-OH 3.44Å; E20-Y44 PolarHBondContact OE2-OH 2.96Å; F42-Y44 HydrophobicContact CD2-CD1 4.25Å; F42-Y44 AromaticContact CE2-CD1 3.76Å; F42-Y44 HydrophobicContact CE2-CD1 3.76Å; F42-Y44 HydrophobicContact CE2-CG 4.2Å; Y44-W46 AromaticContact CD2-CD1 3.73Å; Y44-W46 AromaticContact CD2-NE1 3.57Å; Y44-W46 AromaticContact CE2-CD1 3.59Å; Y44-W46 AromaticContact CE2-NE1 3.42Å; Y44-L51 HydrophobicContact CD2-CD1 4.21Å; Y44-T52 CarbonylContact C-O 3.57Å; Y44-T52 VanDerWaalsContact CA-O 3.22Å; Y44-T52 WeakPolarHBondContact CA-O 3.46Å; Y44-T52 WeakPolarHBondContact CB-O 3.48Å; Y44-H125 HydrophobicContact CD1-CB 4.43Å; Y44-H125 AromaticContact CD1-CG 3.95Å; Y44-H125 AromaticContact CD1-ND1 3.91Å; Y44-H125 HydrophobicContact CE1-CB 4.38Å; Y44-H125 AromaticContact CE1-CD2 3.69Å; Y44-H125 AromaticContact CE1-CG 3.83Å; Y44-H125 AromaticContact CE1-NE2 3.98Å |
| 45 | E | 98.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.5 | 166.4 | 70.5 | -179.9 | 176.5 | 0 | 0 | 111 | T52 Y54 K117 L121 | E45-T52 PolarHBondContact N-O 2.78Å; E45-T52 PolarHBondContact O-N 2.95Å; E45-Y54 HydrophobicContact CG-CE2 3.94Å; E45-Y54 PolarHBondContact OE1-OH 2.93Å; E45-K117 IonicContact OE1-NZ 2.88Å; E45-K117 PolarHBondContact OE1-NZ 3.44Å; E45-K117 WeakPolarHBondContact OE2-CE 3.23Å; E45-K117 IonicContact OE2-NZ 3.74Å; E45-K117 PolarHBondContact OE2-NZ 2.8Å; E45-L121 HydrophobicContact CB-CD1 4.1Å |
| 46 | W | 98.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 20% | 0.197 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.8 | 174.6 | -70.3 | 94.3 | 0 | 0 | 0 | 109.8 | L12 I15 K16 V19 Y44 K50 L51 Y153 | L12-W46 HydrophobicContact CD1-CH2 4.3Å; L12-W46 HydrophobicContact CD1-CZ3 4Å; I15-W46 HydrophobicContact CG2-CH2 3.95Å; I15-W46 HydrophobicContact CG2-CZ2 4.41Å; K16-W46 HydrophobicContact CB-CZ2 4.46Å; K16-W46 HydrophobicContact CD-CD2 4.42Å; K16-W46 HydrophobicContact CG-CD2 4.05Å; K16-W46 HydrophobicContact CG-CG 4.49Å; K16-W46 HydrophobicContact CG-CH2 4.29Å; K16-W46 HydrophobicContact CG-CZ2 3.68Å; V19-W46 HydrophobicContact CB-CZ2 4.38Å; V19-W46 HydrophobicContact CG2-CZ2 3.95Å; Y44-W46 AromaticContact CD2-CD1 3.73Å; Y44-W46 AromaticContact CD2-NE1 3.57Å; Y44-W46 AromaticContact CE2-CD1 3.59Å; Y44-W46 AromaticContact CE2-NE1 3.42Å; W46-K50 WeakPolarHBondContact CA-O 3.33Å; W46-L51 HydrophobicContact CD2-CD1 4.17Å; W46-L51 HydrophobicContact CE3-CB 4.1Å; W46-L51 HydrophobicContact CH2-CB 3.82Å; W46-L51 HydrophobicContact CH2-CD1 4.29Å; W46-L51 HydrophobicContact CH2-CD2 4Å; W46-L51 HydrophobicContact CH2-CG 4.26Å; W46-L51 HydrophobicContact CZ2-CB 4.28Å; W46-L51 HydrophobicContact CZ2-CD1 3.86Å; W46-L51 HydrophobicContact CZ2-CD2 4.01Å; W46-L51 HydrophobicContact CZ2-CG 4.28Å; W46-L51 HydrophobicContact CZ3-CB 3.72Å; W46-Y153 HydrophobicContact CH2-CE1 4.38Å; W46-Y153 HydrophobicContact CZ3-CE1 4.11Å; W46-Y153 AromaticContact CZ3-CZ 3.86Å; W46-Y153 WeakPolarHBondContact CZ3-OH 3.16Å |
| 47 | N | 97.3 | Very high | 97.5 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 62% | 0.62 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 99.3 | 160 | -177.7 | 5.8 | 0 | 0 | 0 | 107.7 | E49 K50 | N47-E49 PolarHBondContact O-N 2.78Å; N47-K50 HydrophobicContact CB-CB 4.39Å; N47-K50 PolarHBondContact N-O 2.83Å; N47-K50 VanDerWaalsContact O-CB 3.28Å; N47-K50 WeakPolarHBondContact O-CB 3.37Å; N47-K50 PolarHBondContact O-N 2.79Å |
| 48 | E | 94.8 | Very high | 97.1 | Very high | 163 Ų | 163 | 49.2 Ų | 49.2 | 76% | 0.762 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -106.4 | -168.6 | -57.2 | 178 | 165.2 | 0 | 0 | 111.6 | K16 | K16-E48 PolarHBondContact NZ-O 3.06Š|
| 49 | E | 96.2 | Very high | 96.7 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.7 | 176.4 | -57.1 | -171.8 | 168.7 | 0 | 0 | 112.5 | L12 N47 L51 Y153 | L12-E49 HydrophobicContact CD2-CG 3.93Å; N47-E49 PolarHBondContact O-N 2.78Å; E49-L51 PolarHBondContact O-N 2.81Å; E49-Y153 VanDerWaalsContact O-CE1 3.25Å; E49-Y153 WeakPolarHBondContact O-CE1 3.13Å; E49-Y153 PolarHBondContact O-OH 3.02Å |
| 50 | K | 97.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 55 Ų | 55 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.6 | 179.3 | -165.8 | 75.7 | 172.5 | 178.8 | 0 | 109.9 | W46 N47 T149 L150 D151 | W46-K50 WeakPolarHBondContact CA-O 3.33Å; N47-K50 HydrophobicContact CB-CB 4.39Å; N47-K50 PolarHBondContact N-O 2.83Å; N47-K50 VanDerWaalsContact O-CB 3.28Å; N47-K50 WeakPolarHBondContact O-CB 3.37Å; N47-K50 PolarHBondContact O-N 2.79Å; K50-T149 HydrophobicContact CD-CG2 4.37Å; K50-T149 HydrophobicContact CG-CG2 4.36Å; K50-L150 VanDerWaalsContact CD-O 3.31Å; K50-L150 WeakPolarHBondContact CD-O 3.41Å; K50-L150 WeakPolarHBondContact CE-O 3.33Å; K50-L150 PolarHBondContact NZ-O 2.99Å; K50-D151 IonicContact NZ-OD1 2.72Å; K50-D151 PolarHBondContact NZ-OD1 2.83Å; K50-D151 VanDerWaalsContact NZ-OD1 3.07Å |
| 51 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.5 | 173.5 | -179.6 | 53.5 | 0 | 0 | 0 | 110.9 | V19 Y44 W46 E49 L53 L150 Y153 | V19-L51 HydrophobicContact CG1-CD1 4.25Å; V19-L51 HydrophobicContact CG1-CD2 4.44Å; V19-L51 HydrophobicContact CG2-CD2 3.82Å; Y44-L51 HydrophobicContact CD2-CD1 4.21Å; W46-L51 HydrophobicContact CD2-CD1 4.17Å; W46-L51 HydrophobicContact CE3-CB 4.1Å; W46-L51 HydrophobicContact CH2-CB 3.82Å; W46-L51 HydrophobicContact CH2-CD1 4.29Å; W46-L51 HydrophobicContact CH2-CD2 4Å; W46-L51 HydrophobicContact CH2-CG 4.26Å; W46-L51 HydrophobicContact CZ2-CB 4.28Å; W46-L51 HydrophobicContact CZ2-CD1 3.86Å; W46-L51 HydrophobicContact CZ2-CD2 4.01Å; W46-L51 HydrophobicContact CZ2-CG 4.28Å; W46-L51 HydrophobicContact CZ3-CB 3.72Å; E49-L51 PolarHBondContact O-N 2.81Å; L51-L53 HydrophobicContact CD1-CD2 3.78Å; L51-L53 HydrophobicContact CD2-CD2 4.07Å; L51-L53 HydrophobicContact CG-CD2 3.86Å; L51-L53 HydrophobicContact CG-CG 4.35Å; L51-L150 HydrophobicContact CB-CD1 4.22Å; L51-L150 HydrophobicContact CD2-CD1 3.87Å; L51-L150 HydrophobicContact CG-CD1 4.12Å; L51-L150 PolarHBondContact O-N 3.48Å; L51-Y153 HydrophobicContact CB-CD1 4.4Å; L51-Y153 HydrophobicContact CB-CE1 4.19Å |
| 52 | T | 98.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.3 | 167.6 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | Y44 E45 Y54 K147 I148 T149 | Y44-T52 CarbonylContact C-O 3.57Å; Y44-T52 VanDerWaalsContact CA-O 3.22Å; Y44-T52 WeakPolarHBondContact CA-O 3.46Å; Y44-T52 WeakPolarHBondContact CB-O 3.48Å; E45-T52 PolarHBondContact N-O 2.78Å; E45-T52 PolarHBondContact O-N 2.95Å; T52-Y54 HydrophobicContact CG2-CE1 4.27Å; T52-Y54 HydrophobicContact CG2-CE2 3.88Å; T52-K147 HydrophobicContact CG2-CD 4.48Å; T52-K147 HydrophobicContact CG2-CG 3.74Å; T52-I148 CarbonylContact C-O 3.55Å; T52-I148 WeakPolarHBondContact CA-O 3.18Å; T52-T149 PolarHBondContact OG1-OG1 3.43Å |
| 53 | L | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 145.8 | 176.9 | -51.1 | 176 | 0 | 0 | 0 | 109.7 | V25 F42 G43 L51 V75 M77 K147 I148 | V25-L53 HydrophobicContact CG2-CD1 4.11Å; F42-L53 HydrophobicContact CD2-CD2 3.73Å; F42-L53 HydrophobicContact CE2-CD2 3.88Å; G43-L53 CarbonylContact O-C 3.57Å; G43-L53 WeakPolarHBondContact O-CA 3.29Å; L51-L53 HydrophobicContact CD1-CD2 3.78Å; L51-L53 HydrophobicContact CD2-CD2 4.07Å; L51-L53 HydrophobicContact CG-CD2 3.86Å; L51-L53 HydrophobicContact CG-CG 4.35Å; L53-V75 HydrophobicContact CD1-CB 4.42Å; L53-V75 HydrophobicContact CD1-CG1 4.23Å; L53-V75 HydrophobicContact CD1-CG2 4.24Å; L53-M77 HydrophobicContact CD1-CE 4.4Å; L53-K147 CarbonylContact O-C 3.53Å; L53-K147 WeakPolarHBondContact O-CA 3.41Å; L53-I148 HydrophobicContact CB-CB 4.3Å; L53-I148 PolarHBondContact N-O 3.26Å; L53-I148 PolarHBondContact O-N 3.48Å |
| 54 | Y | 98.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.1 | 177.9 | -64.8 | -79.2 | 0 | 0 | 0 | 109.8 | F42 G43 E45 T52 L109 A118 L121 I145 I146 K147 | F42-Y54 CarbonylContact C-O 3.48Å; F42-Y54 WeakPolarHBondContact CA-O 3.26Å; F42-Y54 WeakPolarHBondContact CB-O 3.28Å; G43-Y54 PolarHBondContact N-O 2.88Å; G43-Y54 PolarHBondContact O-N 2.86Å; E45-Y54 HydrophobicContact CG-CE2 3.94Å; E45-Y54 PolarHBondContact OE1-OH 2.93Å; T52-Y54 HydrophobicContact CG2-CE1 4.27Å; T52-Y54 HydrophobicContact CG2-CE2 3.88Å; Y54-L109 HydrophobicContact CD1-CD1 4.41Å; Y54-L109 HydrophobicContact CE1-CD1 4.25Å; Y54-A118 HydrophobicContact CD1-CB 3.36Å; Y54-A118 HydrophobicContact CE1-CB 3.91Å; Y54-A118 HydrophobicContact CG-CB 3.72Å; Y54-L121 HydrophobicContact CD2-CD1 3.7Å; Y54-L121 HydrophobicContact CE2-CD1 3.41Å; Y54-L121 VanDerWaalsContact CE2-CD1 3.41Å; Y54-I145 HydrophobicContact CD1-CG2 4.39Å; Y54-I146 WeakPolarHBondContact CA-O 3.32Å; Y54-K147 HydrophobicContact CD1-CB 4.11Å; Y54-K147 HydrophobicContact CD1-CG 4.23Å; Y54-K147 HydrophobicContact CE1-CB 4Å; Y54-K147 HydrophobicContact CE1-CD 4.05Å; Y54-K147 HydrophobicContact CE1-CG 3.71Å |
| 55 | V | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.3 | -176.4 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | I27 V40 F42 I145 I146 | I27-V55 HydrophobicContact CD1-CB 4.42Å; I27-V55 HydrophobicContact CD1-CG1 4.27Å; I27-V55 HydrophobicContact CD1-CG2 4.06Å; V40-V55 HydrophobicContact CB-CG1 3.71Å; V40-V55 HydrophobicContact CG1-CG1 3.93Å; V40-V55 HydrophobicContact CG2-CB 4.3Å; V40-V55 HydrophobicContact CG2-CG1 3.62Å; V40-V55 HydrophobicContact CG2-CG2 3.67Å; F42-V55 HydrophobicContact CB-CG2 4.01Å; V55-I145 WeakPolarHBondContact O-CA 3.37Å; V55-I146 HydrophobicContact CB-CB 4.39Å; V55-I146 PolarHBondContact N-O 2.93Å; V55-I146 PolarHBondContact O-N 3.1Å |
| 56 | H | 96.2 | Very high | 94.9 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 40% | 0.398 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 157.4 | 174.1 | 82.5 | -88.9 | 0 | 0 | 0 | 111.8 | L119 L122 T143 G144 I145 | H56-L119 HydrophobicContact CB-CD2 4.09Å; H56-L122 HydrophobicContact CB-CD1 4.04Å; H56-L122 WeakPolarHBondContact ND1-CD1 3.25Å; H56-T143 HydrophobicContact CB-CG2 3.95Å; H56-G144 CarbonylContact C-O 3.53Å; H56-G144 WeakPolarHBondContact CA-O 3.45Å; H56-I145 HydrophobicContact CB-CD1 3.92Å |
| 57 | G | 92.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -162.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G144 | G57-G144 PolarHBondContact N-O 2.88Å; G57-G144 WeakPolarHBondContact O-CA 3.41Å; G57-G144 PolarHBondContact O-N 2.92Å |
| 58 | A | 89.4 | Confident | 94.7 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 146.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E60 | A58-E60 WeakPolarHBondContact CB-O 3.41Å; A58-E60 PolarHBondContact O-N 2.97Å |
| 59 | N | 87.8 | Confident | 94.8 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -65.4 | -11 | 171.4 | -79.4 | -40.1 | 0 | 0 | 0 | 113.2 | K141 R142 G144 | N59-K141 PolarHBondContact ND2-O 2.84Å; N59-K141 VanDerWaalsContact ND2-O 3.07Å; N59-R142 PolarHBondContact ND2-O 3.4Å; N59-G144 WeakPolarHBondContact OD1-CA 3.36Å; N59-G144 PolarHBondContact OD1-N 3.13Å |
| 60 | E | 89.8 | Confident | 94.8 | Very high | 159 Ų | 159 | 54.6 Ų | 54.6 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -140 | 172.7 | -176.8 | 63.8 | -178.9 | -175.6 | 0 | 0 | 111.9 | A58 | A58-E60 WeakPolarHBondContact CB-O 3.41Å; A58-E60 PolarHBondContact O-N 2.97Å |
| 61 | G | 91.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 100.9 | -170 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K63 V64 S65 | G61-K63 PolarHBondContact O-N 3.34Å; G61-V64 WeakPolarHBondContact O-CB 3.45Å; G61-V64 PolarHBondContact O-N 3.05Å; G61-V64 VanDerWaalsContact O-N 3.1Å; G61-S65 PolarHBondContact O-N 3.4Å |
| 62 | K | 91.4 | Very high | 94.8 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | -163.2 | -172.5 | 170.7 | -177.3 | 174.9 | 0 | 114.4 | Y36 V64 S65 M66 | Y36-K62 HydrophobicContact CD2-CD 4.29Å; Y36-K62 HydrophobicContact CE2-CD 4.15Å; K62-V64 VanDerWaalsContact C-N 3.34Å; K62-V64 PolarHBondContact O-N 2.93Å; K62-S65 PolarHBondContact O-OG 3.47Å; K62-M66 HydrophobicContact CD-SD 4.38Å; K62-M66 HydrophobicContact CG-CG 4.37Å; K62-M66 HydrophobicContact CG-SD 3.71Å; K62-M66 WeakPolarHBondContact O-CB 3.49Å; K62-M66 WeakPolarHBondContact O-CG 3.44Å; K62-M66 PolarHBondContact O-N 3.49Å |
| 63 | K | 91.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.5 | -67.4 | -171.9 | -68.5 | -80.9 | 0 | 111.6 | L29 Y36 V38 G61 M66 I67 I146 | L29-K63 HydrophobicContact CD1-CB 4.23Å; L29-K63 HydrophobicContact CD1-CG 4.14Å; Y36-K63 HydrophobicContact CE1-CG 4.02Å; V38-K63 HydrophobicContact CG1-CD 3.89Å; V38-K63 HydrophobicContact CG1-CG 4.47Å; G61-K63 PolarHBondContact O-N 3.34Å; K63-M66 PolarHBondContact O-N 2.76Å; K63-I67 WeakPolarHBondContact O-CB 3.48Å; K63-I67 WeakPolarHBondContact O-CD1 3.41Å; K63-I67 VanDerWaalsContact O-CG1 3.23Å; K63-I67 WeakPolarHBondContact O-CG1 3.33Å; K63-I67 PolarHBondContact O-N 2.88Å; K63-I146 HydrophobicContact CB-CD1 4.43Å; K63-I146 HydrophobicContact CD-CD1 4.47Å |
| 64 | V | 93.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | -177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | G61 K62 I67 K68 L108 | G61-V64 WeakPolarHBondContact O-CB 3.45Å; G61-V64 PolarHBondContact O-N 3.05Å; G61-V64 VanDerWaalsContact O-N 3.1Å; K62-V64 VanDerWaalsContact C-N 3.34Å; K62-V64 PolarHBondContact O-N 2.93Å; V64-I67 PolarHBondContact O-N 3.46Å; V64-K68 HydrophobicContact CG1-CD 4.29Å; V64-K68 WeakPolarHBondContact O-CG 3.36Å; V64-K68 PolarHBondContact O-N 2.95Å; V64-L108 HydrophobicContact CG1-CD1 3.67Å; V64-L108 HydrophobicContact CG1-CD2 4.46Å; V64-L108 HydrophobicContact CG2-CD2 4.18Å |
| 65 | S | 95.1 | Very high | 94.8 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 177.4 | 60.6 | 0 | 0 | 0 | 0 | 112 | G61 K62 K68 N69 | G61-S65 PolarHBondContact O-N 3.4Å; K62-S65 PolarHBondContact O-OG 3.47Å; S65-K68 PolarHBondContact O-N 3.26Å; S65-N69 PolarHBondContact O-N 2.97Å; S65-N69 VanDerWaalsContact O-N 3.12Å |
| 66 | M | 96 | Very high | 94.8 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 177.9 | -68.1 | 177 | 77.9 | 0 | 0 | 112.1 | L29 N30 Y36 K62 K63 K68 N69 D70 | L29-M66 HydrophobicContact CB-CB 4.44Å; L29-M66 HydrophobicContact CB-CE 3.77Å; L29-M66 HydrophobicContact CB-SD 4.4Å; L29-M66 HydrophobicContact CD1-CB 4.39Å; N30-M66 VanDerWaalsContact C-CE 3.44Å; N30-M66 WeakPolarHBondContact O-CE 3.37Å; Y36-M66 HydrophobicContact CD1-SD 4.04Å; Y36-M66 HydrophobicContact CG-CE 4.4Å; Y36-M66 HydrophobicContact CG-SD 4.07Å; K62-M66 HydrophobicContact CD-SD 4.38Å; K62-M66 HydrophobicContact CG-CG 4.37Å; K62-M66 HydrophobicContact CG-SD 3.71Å; K62-M66 WeakPolarHBondContact O-CB 3.49Å; K62-M66 WeakPolarHBondContact O-CG 3.44Å; K62-M66 PolarHBondContact O-N 3.49Å; K63-M66 PolarHBondContact O-N 2.76Å; M66-K68 VanDerWaalsContact C-N 3.34Å; M66-K68 PolarHBondContact O-N 2.69Å; M66-N69 PolarHBondContact O-N 2.86Å; M66-D70 PolarHBondContact O-N 2.86Å |
| 67 | I | 96.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 177.5 | -69.5 | 164.5 | 0 | 0 | 0 | 111.6 | L29 K63 V64 N69 D70 A106 L108 I146 | L29-I67 HydrophobicContact CD2-CD1 4.32Å; L29-I67 HydrophobicContact CD2-CG1 3.59Å; K63-I67 WeakPolarHBondContact O-CB 3.48Å; K63-I67 WeakPolarHBondContact O-CD1 3.41Å; K63-I67 VanDerWaalsContact O-CG1 3.23Å; K63-I67 WeakPolarHBondContact O-CG1 3.33Å; K63-I67 PolarHBondContact O-N 2.88Å; V64-I67 PolarHBondContact O-N 3.46Å; I67-N69 VanDerWaalsContact C-N 3.28Å; I67-N69 PolarHBondContact O-N 3.08Å; I67-D70 CarbonylContact O-C 3.57Å; I67-A106 HydrophobicContact CD1-CB 4.01Å; I67-A106 HydrophobicContact CG1-CB 3.94Å; I67-A106 HydrophobicContact CG2-CB 3.83Å; I67-L108 HydrophobicContact CD1-CD2 4.39Å; I67-L108 HydrophobicContact CG2-CD2 4.49Å; I67-L108 HydrophobicContact CG2-CG 4.16Å; I67-I146 HydrophobicContact CD1-CB 4.47Å; I67-I146 HydrophobicContact CD1-CD1 3.65Å; I67-I146 HydrophobicContact CD1-CG1 3.87Å; I67-I146 HydrophobicContact CD1-CG2 3.72Å |
| 68 | K | 95.8 | Very high | 95.2 | Very high | 150 Ų | 150 | 60 Ų | 60 | 65% | 0.652 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.9 | -33.9 | 175.6 | -75.4 | 178 | 177.7 | -177.3 | 0 | 112.4 | V64 S65 M66 L108 | V64-K68 HydrophobicContact CG1-CD 4.29Å; V64-K68 WeakPolarHBondContact O-CG 3.36Å; V64-K68 PolarHBondContact O-N 2.95Å; S65-K68 PolarHBondContact O-N 3.26Å; M66-K68 VanDerWaalsContact C-N 3.34Å; M66-K68 PolarHBondContact O-N 2.69Å; K68-L108 HydrophobicContact CD-CD1 4.23Å; K68-L108 HydrophobicContact CG-CD1 3.77Å |
| 69 | N | 96 | Very high | 95.5 | Very high | 129 Ų | 129 | 57.7 Ų | 57.7 | 69% | 0.69 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -78.8 | -44.2 | 179 | -71.8 | -4.4 | 0 | 0 | 0 | 112.3 | S65 M66 I67 | S65-N69 PolarHBondContact O-N 2.97Å; S65-N69 VanDerWaalsContact O-N 3.12Å; M66-N69 PolarHBondContact O-N 2.86Å; I67-N69 VanDerWaalsContact C-N 3.28Å; I67-N69 PolarHBondContact O-N 3.08Å |
| 70 | D | 97.6 | Very high | 95.8 | Very high | 46 Ų | 46 | 59 Ų | 59 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | trans | -144.3 | 111.1 | 174.1 | -175.5 | 0.7 | 0 | 0 | 0 | 110 | N30 M66 I67 K72 | N30-D70 PolarHBondContact ND2-OD2 2.82Å; M66-D70 PolarHBondContact O-N 2.86Å; I67-D70 CarbonylContact O-C 3.57Å; D70-K72 PolarHBondContact O-N 3.24Å; D70-K72 WeakPolarHBondContact OD1-CB 3.5Å; D70-K72 WeakPolarHBondContact OD1-CG 3.31Å; D70-K72 PolarHBondContact OD1-N 2.86Å | ||
| 71 | P | 97.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | trans | -74.8 | -7.9 | -178.5 | 30.8 | -35.8 | 0 | 0 | 0 | 112.7 | V73 K105 A106 | P71-V73 PolarHBondContact O-N 3.45Å; P71-K105 CarbonylContact O-C 3.59Å; P71-K105 VanDerWaalsContact O-CA 3.26Å; P71-K105 WeakPolarHBondContact O-CA 3.48Å; P71-A106 VanDerWaalsContact CB-O 3.29Å; P71-A106 WeakPolarHBondContact CB-O 3.27Å; P71-A106 PolarHBondContact O-N 2.94Å | ||
| 72 | K | 98.6 | Very high | 96.4 | Very high | 126 Ų | 126 | 57 Ų | 57 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130.7 | -179.7 | -66.9 | 171.9 | -174.2 | 166.3 | 0 | 110.7 | D70 G104 | D70-K72 PolarHBondContact O-N 3.24Å; D70-K72 WeakPolarHBondContact OD1-CB 3.5Å; D70-K72 WeakPolarHBondContact OD1-CG 3.31Å; D70-K72 PolarHBondContact OD1-N 2.86Å; K72-G104 WeakPolarHBondContact CA-O 3.13Å |
| 73 | V | 98.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.3 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | I27 A28 L29 P71 V75 F103 G104 A106 I148 | I27-V73 HydrophobicContact CG2-CB 4.19Å; I27-V73 HydrophobicContact CG2-CG1 4.28Å; A28-V73 WeakPolarHBondContact O-CA 3.49Å; L29-V73 HydrophobicContact CD2-CG1 3.56Å; P71-V73 PolarHBondContact O-N 3.45Å; V73-V75 HydrophobicContact CG2-CG1 4.4Å; V73-F103 WeakPolarHBondContact O-CA 3.39Å; V73-G104 PolarHBondContact N-O 3.01Å; V73-G104 PolarHBondContact O-N 3.05Å; V73-A106 HydrophobicContact CG1-CB 3.65Å; V73-I148 HydrophobicContact CG2-CD1 4.41Å; V73-I148 HydrophobicContact CG2-CG1 4.47Å; V73-I148 HydrophobicContact CG2-CG2 3.53Å |
| 74 | A | 98.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A28 G102 F103 | A28-A74 HydrophobicContact CB-CB 4.2Å; A28-A74 PolarHBondContact N-O 3.44Å; A28-A74 PolarHBondContact O-N 2.83Å; A74-G102 CarbonylContact C-O 3.57Å; A74-G102 VanDerWaalsContact CA-O 3.25Å; A74-G102 WeakPolarHBondContact CA-O 3.2Å; A74-F103 HydrophobicContact CB-CD1 3.68Å; A74-F103 HydrophobicContact CB-CE1 3.68Å |
| 75 | V | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.6 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | V25 R26 L53 V73 L100 I101 G102 I148 L150 | V25-V75 HydrophobicContact CG2-CB 3.84Å; V25-V75 HydrophobicContact CG2-CG1 4.42Å; R26-V75 CarbonylContact O-C 3.51Å; R26-V75 VanDerWaalsContact O-CA 3.27Å; R26-V75 WeakPolarHBondContact O-CA 3.48Å; L53-V75 HydrophobicContact CD1-CB 4.42Å; L53-V75 HydrophobicContact CD1-CG1 4.23Å; L53-V75 HydrophobicContact CD1-CG2 4.24Å; V73-V75 HydrophobicContact CG2-CG1 4.4Å; V75-L100 HydrophobicContact CG2-CD2 4.44Å; V75-I101 WeakPolarHBondContact O-CA 3.34Å; V75-G102 PolarHBondContact N-O 2.85Å; V75-G102 PolarHBondContact O-N 3.07Å; V75-I148 HydrophobicContact CG1-CD1 4.29Å; V75-I148 HydrophobicContact CG1-CG2 4.14Å; V75-L150 HydrophobicContact CG1-CD2 4.18Å; V75-L150 HydrophobicContact CG2-CD1 3.77Å; V75-L150 HydrophobicContact CG2-CD2 3.58Å; V75-L150 HydrophobicContact CG2-CG 4.33Å |
| 76 | E | 98.7 | Very high | 96.8 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.2 | 176.2 | -171.1 | -78.6 | 150.6 | 0 | 0 | 110.1 | V25 R26 D78 L100 I101 | V25-E76 WeakPolarHBondContact CG2-O 3.27Å; R26-E76 IonicContact CZ-OE2 3.98Å; R26-E76 PolarHBondContact N-O 2.97Å; R26-E76 IonicContact NH1-OE1 3.17Å; R26-E76 IonicContact NH1-OE2 3.33Å; R26-E76 PolarHBondContact NH1-OE2 2.85Å; R26-E76 PolarHBondContact O-N 3.18Å; E76-D78 WeakPolarHBondContact OE1-CB 3.44Å; E76-L100 WeakPolarHBondContact CA-O 3.4Å; E76-I101 HydrophobicContact CG-CG1 4.1Å |
| 77 | M | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.4 | 168.3 | 62.2 | -173.7 | 70.2 | 0 | 0 | 109 | V19 V25 F42 L53 S99 L100 | V19-M77 HydrophobicContact CB-SD 4.33Å; V19-M77 HydrophobicContact CG2-CE 4.48Å; V19-M77 HydrophobicContact CG2-SD 3.86Å; V25-M77 HydrophobicContact CB-CE 4.15Å; V25-M77 HydrophobicContact CG2-CE 3.83Å; F42-M77 HydrophobicContact CE1-CE 4.42Å; F42-M77 HydrophobicContact CE2-CE 4.43Å; F42-M77 HydrophobicContact CZ-CE 3.99Å; F42-M77 HydrophobicContact CZ-SD 4.37Å; L53-M77 HydrophobicContact CD1-CE 4.4Å; M77-S99 CarbonylContact O-C 3.55Å; M77-S99 VanDerWaalsContact O-CA 3.3Å; M77-S99 WeakPolarHBondContact O-CA 3.4Å; M77-L100 HydrophobicContact CE-CD2 4.41Å; M77-L100 HydrophobicContact CG-CB 3.87Å; M77-L100 HydrophobicContact CG-CD2 4.37Å; M77-L100 PolarHBondContact N-O 2.9Å; M77-L100 PolarHBondContact O-N 3.07Å |
| 78 | D | 97.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 74.4 Ų | 74.4 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 161.1 | -179.6 | 64.3 | -22.4 | 0 | 0 | 0 | 112.2 | R26 E76 H81 Q98 | R26-D78 IonicContact CZ-OD1 3.07Å; R26-D78 IonicContact NH1-OD1 2.66Å; R26-D78 PolarHBondContact NH1-OD1 2.99Å; R26-D78 IonicContact NH1-OD2 3.48Å; R26-D78 IonicContact NH2-OD1 3.05Å; R26-D78 PolarHBondContact NH2-OD1 2.83Å; E76-D78 WeakPolarHBondContact OE1-CB 3.44Å; D78-H81 IonicContact OD1-NE2 3.93Å; D78-H81 IonicContact OD2-CE1 3.83Å; D78-H81 PolarHBondContact OD2-CE1 2.77Å; D78-H81 IonicContact OD2-NE2 2.65Å; D78-H81 PolarHBondContact OD2-NE2 3.49Å; D78-Q98 VanDerWaalsContact CA-O 3.25Å; D78-Q98 WeakPolarHBondContact CA-O 3.38Å; D78-Q98 WeakPolarHBondContact CB-O 3.39Å |
| 79 | G | 96 | Very high | 96.5 | Very high | 16 Ų | 16 | 71.9 Ų | 71.9 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | -172.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H81 Q98 | G79-H81 PolarHBondContact N-NE2 2.77Å; G79-H81 PolarHBondContact O-N 2.7Å; G79-Q98 PolarHBondContact N-O 3.12Å; G79-Q98 PolarHBondContact O-N 3.06Å |
| 80 | N | 93.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 69.5 Ų | 69.5 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.3 | 39.2 | 179.5 | -64.7 | -25.4 | 0 | 0 | 0 | 113.2 | K82 A96 Y97 Q98 | N80-K82 PolarHBondContact O-N 2.89Å; N80-A96 CarbonylContact O-C 3.38Å; N80-Y97 WeakPolarHBondContact O-CA 3.17Å; N80-Y97 PolarHBondContact O-N 3.49Å; N80-Q98 HydrophobicContact CB-CB 4.48Å; N80-Q98 HydrophobicContact CB-CG 4.39Å; N80-Q98 PolarHBondContact ND2-OE1 2.78Å |
| 81 | H | 96.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 39% | 0.394 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 118 | 178.3 | -61.2 | -60.2 | 0 | 0 | 0 | 110.7 | D78 G79 Y95 A96 | D78-H81 IonicContact OD1-NE2 3.93Å; D78-H81 IonicContact OD2-CE1 3.83Å; D78-H81 PolarHBondContact OD2-CE1 2.77Å; D78-H81 IonicContact OD2-NE2 2.65Å; D78-H81 PolarHBondContact OD2-NE2 3.49Å; G79-H81 PolarHBondContact N-NE2 2.77Å; G79-H81 PolarHBondContact O-N 2.7Å; H81-Y95 HydrophobicContact CB-CE1 3.8Å; H81-Y95 WeakPolarHBondContact CB-OH 3.43Å; H81-Y95 AromaticContact ND1-CE1 3.73Å; H81-A96 WeakPolarHBondContact CA-O 3.35Å |
| 82 | K | 97.3 | Very high | 96 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 128.8 | 175 | -169 | 176.6 | 168.9 | -166.2 | 0 | 110.1 | N80 V84 A96 H160 D162 | N80-K82 PolarHBondContact O-N 2.89Å; K82-V84 PolarHBondContact O-N 3.17Å; K82-A96 HydrophobicContact CB-CB 4.2Å; K82-A96 PolarHBondContact N-O 3.3Å; K82-A96 VanDerWaalsContact N-O 3.13Å; K82-A96 WeakPolarHBondContact O-CB 3.45Å; K82-A96 PolarHBondContact O-N 2.81Å; K82-H160 HydrophobicContact CD-CB 4.33Å; K82-D162 IonicContact NZ-OD2 3.69Å; K82-D162 PolarHBondContact NZ-OD2 2.99Å |
| 83 | L | 97.3 | Very high | 95.9 | Very high | 85 Ų | 85 | 70.7 Ų | 70.7 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131 | 173.6 | -179.2 | 66.9 | 0 | 0 | 0 | 109.1 | E85 Y93 Y95 H160 | L83-E85 HydrophobicContact CD2-CG 4.21Å; L83-E85 HydrophobicContact CG-CG 4.46Å; L83-Y93 HydrophobicContact CD1-CD1 4.29Å; L83-Y95 HydrophobicContact CB-CD2 4.37Å; L83-Y95 HydrophobicContact CB-CE2 4.26Å; L83-Y95 HydrophobicContact CD1-CD2 4.11Å; L83-H160 PolarHBondContact O-NE2 3.01Å; L83-H160 VanDerWaalsContact O-NE2 3.13Å |
| 84 | V | 96.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 105.5 | 166.1 | -178.1 | 0 | 0 | 0 | 0 | 106.5 | K82 G86 Y93 S94 A96 P161 | K82-V84 PolarHBondContact O-N 3.17Å; V84-G86 PolarHBondContact O-N 2.65Å; V84-Y93 WeakPolarHBondContact O-CA 3.36Å; V84-S94 PolarHBondContact N-O 3.48Å; V84-S94 PolarHBondContact O-N 2.81Å; V84-S94 VanDerWaalsContact O-N 3.09Å; V84-A96 HydrophobicContact CG2-CB 4.46Å; V84-P161 HydrophobicContact CG1-CG 3.88Å |
| 85 | E | 95.1 | Very high | 95.6 | Very high | 158 Ų | 158 | 76.7 Ų | 76.7 | 74% | 0.738 | 41% | 0.406 | S | S | * | . | trans | -65.8 | 132.2 | 179.9 | -67.3 | -165.7 | 160.3 | 0 | 0 | 111 | L83 | L83-E85 HydrophobicContact CD2-CG 4.21Å; L83-E85 HydrophobicContact CG-CG 4.46Å | ||
| 86 | G | 91.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 76.7 Ų | 76.7 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | trans | -89.3 | -170.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V84 S92 | V84-G86 PolarHBondContact O-N 2.65Å; G86-S92 WeakPolarHBondContact CA-OG 3.25Å | ||
| 87 | T | 93.5 | Very high | 95.4 | Very high | 97 Ų | 97 | 76.7 Ų | 76.7 | 60% | 0.595 | 40% | 0.404 | S | S | * | . | trans | -91 | -160.4 | 165 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | N89 S92 Y93 | T87-N89 PolarHBondContact O-N 3.31Å; T87-N89 VanDerWaalsContact O-N 3.07Å; T87-N89 PolarHBondContact OG1-N 3.48Å; T87-S92 PolarHBondContact N-OG 2.9Å; T87-S92 PolarHBondContact OG1-OG 2.99Å; T87-Y93 VanDerWaalsContact O-CE2 3.31Å; T87-Y93 WeakPolarHBondContact O-CE2 3.4Å | ||
| 88 | R | 94.5 | Very high | 95.4 | Very high | 263 Ų | 263 | 77.7 Ų | 77.7 | 99% | 0.992 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -57.3 | -20.2 | 168.9 | -66.1 | -171.8 | 178.8 | -175.4 | 0 | 113.7 | A90 | R88-A90 PolarHBondContact O-N 3.28Š|
| 89 | N | 94 | Very high | 95.4 | Very high | 97 Ų | 97 | 76 Ų | 76 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -81.9 | 113.6 | 175.7 | -177.3 | -6 | 0 | 0 | 0 | 110.9 | T87 A91 S92 | T87-N89 PolarHBondContact O-N 3.31Å; T87-N89 VanDerWaalsContact O-N 3.07Å; T87-N89 PolarHBondContact OG1-N 3.48Å; N89-A91 PolarHBondContact O-N 3.21Å; N89-A91 VanDerWaalsContact O-N 3.1Å; N89-A91 WeakPolarHBondContact OD1-CB 3.34Å; N89-A91 PolarHBondContact OD1-N 3.32Å; N89-S92 WeakPolarHBondContact O-CB 3.27Å; N89-S92 PolarHBondContact O-N 2.98Å; N89-S92 PolarHBondContact O-OG 2.76Å |
| 90 | A | 93.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 75.2 Ų | 75.2 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -54.5 | -30.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R88 S92 Y93 | R88-A90 PolarHBondContact O-N 3.28Å; A90-S92 PolarHBondContact O-N 3.45Å; A90-Y93 PolarHBondContact O-N 3.23Å |
| 91 | A | 94.1 | Very high | 95.7 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 74% | 0.736 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -70.5 | -11.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | N89 | N89-A91 PolarHBondContact O-N 3.21Å; N89-A91 VanDerWaalsContact O-N 3.1Å; N89-A91 WeakPolarHBondContact OD1-CB 3.34Å; N89-A91 PolarHBondContact OD1-N 3.32Å |
| 92 | S | 93.4 | Very high | 95.8 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -85.8 | -9.5 | 174.7 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | G86 T87 N89 A90 | G86-S92 WeakPolarHBondContact CA-OG 3.25Å; T87-S92 PolarHBondContact N-OG 2.9Å; T87-S92 PolarHBondContact OG1-OG 2.99Å; N89-S92 WeakPolarHBondContact O-CB 3.27Å; N89-S92 PolarHBondContact O-N 2.98Å; N89-S92 PolarHBondContact O-OG 2.76Å; A90-S92 PolarHBondContact O-N 3.45Å |
| 93 | Y | 96.2 | Very high | 95.9 | Very high | 114 Ų | 114 | 71.1 Ų | 71.1 | 45% | 0.447 | 37% | 0.372 | S | S | . | . | trans | -74.9 | 146.1 | 171.2 | -72.2 | -98.1 | 0 | 0 | 0 | 110.9 | L83 V84 T87 A90 | L83-Y93 HydrophobicContact CD1-CD1 4.29Å; V84-Y93 WeakPolarHBondContact O-CA 3.36Å; T87-Y93 VanDerWaalsContact O-CE2 3.31Å; T87-Y93 WeakPolarHBondContact O-CE2 3.4Å; A90-Y93 PolarHBondContact O-N 3.23Å | ||
| 94 | S | 95.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | -176.4 | 174.1 | -168.2 | 0 | 0 | 0 | 0 | 109.6 | V84 N158 | V84-S94 PolarHBondContact N-O 3.48Å; V84-S94 PolarHBondContact O-N 2.81Å; V84-S94 VanDerWaalsContact O-N 3.09Å; S94-N158 PolarHBondContact OG-ND2 3.09Å |
| 95 | Y | 95.6 | Very high | 96 | Very high | 111 Ų | 111 | 72.2 Ų | 72.2 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 121.8 | 179.6 | -154.2 | -103.5 | 0 | 0 | 0 | 110.5 | H81 L83 Y97 N158 | H81-Y95 HydrophobicContact CB-CE1 3.8Å; H81-Y95 WeakPolarHBondContact CB-OH 3.43Å; H81-Y95 AromaticContact ND1-CE1 3.73Å; L83-Y95 HydrophobicContact CB-CD2 4.37Å; L83-Y95 HydrophobicContact CB-CE2 4.26Å; L83-Y95 HydrophobicContact CD1-CD2 4.11Å; Y95-Y97 WeakPolarHBondContact O-CD1 3.37Å; Y95-N158 PolarHBondContact O-ND2 2.97Å |
| 96 | A | 96.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 65 Ų | 65 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | N80 H81 K82 V84 N158 H160 | N80-A96 CarbonylContact O-C 3.38Å; H81-A96 WeakPolarHBondContact CA-O 3.35Å; K82-A96 HydrophobicContact CB-CB 4.2Å; K82-A96 PolarHBondContact N-O 3.3Å; K82-A96 VanDerWaalsContact N-O 3.13Å; K82-A96 WeakPolarHBondContact O-CB 3.45Å; K82-A96 PolarHBondContact O-N 2.81Å; V84-A96 HydrophobicContact CG2-CB 4.46Å; A96-N158 CarbonylContact C-O 3.5Å; A96-N158 WeakPolarHBondContact CA-O 3.33Å; A96-N158 VanDerWaalsContact CB-O 3.22Å; A96-N158 WeakPolarHBondContact CB-O 3.36Å; A96-H160 HydrophobicContact CB-CB 3.65Å |
| 97 | Y | 96.9 | Very high | 96.5 | Very high | 50 Ų | 50 | 69 Ų | 69 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 160 | 178.9 | 66.6 | -84.9 | 0 | 0 | 0 | 110.3 | R7 N80 Y95 K156 E157 N158 | R7-Y97 PolarHBondContact NH1-OH 3.06Å; R7-Y97 VanDerWaalsContact NH1-OH 3.14Å; N80-Y97 WeakPolarHBondContact O-CA 3.17Å; N80-Y97 PolarHBondContact O-N 3.49Å; Y95-Y97 WeakPolarHBondContact O-CD1 3.37Å; Y97-K156 HydrophobicContact CE2-CB 4.05Å; Y97-E157 CarbonylContact O-C 3.56Å; Y97-E157 WeakPolarHBondContact O-CA 3.05Å; Y97-N158 HydrophobicContact CD1-CB 3.88Å; Y97-N158 HydrophobicContact CE1-CB 3.68Å; Y97-N158 PolarHBondContact N-O 3.34Å; Y97-N158 PolarHBondContact O-N 3.5Å |
| 98 | Q | 97.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 66.3 Ų | 66.3 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.4 | 157.6 | -75.9 | -174.5 | -31 | 0 | 0 | 108.6 | L18 D78 G79 N80 M155 K156 E157 | L18-Q98 HydrophobicContact CD1-CB 3.87Å; L18-Q98 HydrophobicContact CD2-CB 4.2Å; D78-Q98 VanDerWaalsContact CA-O 3.25Å; D78-Q98 WeakPolarHBondContact CA-O 3.38Å; D78-Q98 WeakPolarHBondContact CB-O 3.39Å; G79-Q98 PolarHBondContact N-O 3.12Å; G79-Q98 PolarHBondContact O-N 3.06Å; N80-Q98 HydrophobicContact CB-CB 4.48Å; N80-Q98 HydrophobicContact CB-CG 4.39Å; N80-Q98 PolarHBondContact ND2-OE1 2.78Å; Q98-M155 HydrophobicContact CB-CE 3.95Å; Q98-M155 HydrophobicContact CG-CE 3.68Å; Q98-K156 CarbonylContact C-O 3.56Å; Q98-K156 WeakPolarHBondContact CA-O 3.26Å; Q98-E157 HydrophobicContact CG-CB 3.7Å; Q98-E157 PolarHBondContact NE2-OE2 2.95Å |
| 99 | S | 97.9 | Very high | 96.9 | Very high | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 141.7 | 177.9 | 58 | 0 | 0 | 0 | 0 | 110 | M77 M155 K156 | M77-S99 CarbonylContact O-C 3.55Å; M77-S99 VanDerWaalsContact O-CA 3.3Å; M77-S99 WeakPolarHBondContact O-CA 3.4Å; S99-M155 CarbonylContact O-C 3.52Å; S99-M155 WeakPolarHBondContact O-CA 3.18Å; S99-M155 WeakPolarHBondContact O-CG 3.49Å; S99-K156 PolarHBondContact N-O 2.84Å; S99-K156 PolarHBondContact O-N 3.28Å |
| 100 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.6 | 169.1 | 177.4 | 150.8 | 0 | 0 | 0 | 108.6 | I15 L18 V19 V75 E76 M77 Y153 T154 | I15-L100 HydrophobicContact CG2-CD1 3.88Å; L18-L100 HydrophobicContact CD2-CB 3.87Å; V19-L100 HydrophobicContact CG2-CD1 4.09Å; V75-L100 HydrophobicContact CG2-CD2 4.44Å; E76-L100 WeakPolarHBondContact CA-O 3.4Å; M77-L100 HydrophobicContact CE-CD2 4.41Å; M77-L100 HydrophobicContact CG-CB 3.87Å; M77-L100 HydrophobicContact CG-CD2 4.37Å; M77-L100 PolarHBondContact N-O 2.9Å; M77-L100 PolarHBondContact O-N 3.07Å; L100-Y153 HydrophobicContact CD1-CD2 4.15Å; L100-Y153 HydrophobicContact CD1-CG 4.36Å; L100-T154 WeakPolarHBondContact CA-O 3.3Å |
| 101 | I | 98.4 | Very high | 97 | Very high | 60 Ų | 60 | 56 Ų | 56 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.8 | 171 | -61.5 | 173.4 | 0 | 0 | 0 | 107.5 | V75 E76 F103 Y153 T154 | V75-I101 WeakPolarHBondContact O-CA 3.34Å; E76-I101 HydrophobicContact CG-CG1 4.1Å; I101-F103 HydrophobicContact CG2-CE2 4.05Å; I101-F103 HydrophobicContact CG2-CZ 4.05Å; I101-Y153 CarbonylContact O-C 3.52Å; I101-Y153 VanDerWaalsContact O-CA 3.27Å; I101-Y153 WeakPolarHBondContact O-CA 3.46Å; I101-T154 PolarHBondContact N-O 2.66Å; I101-T154 PolarHBondContact O-N 2.73Å |
| 102 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 158.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A74 V75 S152 | A74-G102 CarbonylContact C-O 3.57Å; A74-G102 VanDerWaalsContact CA-O 3.25Å; A74-G102 WeakPolarHBondContact CA-O 3.2Å; V75-G102 PolarHBondContact N-O 2.85Å; V75-G102 PolarHBondContact O-N 3.07Å; G102-S152 CarbonylContact C-O 3.55Å; G102-S152 WeakPolarHBondContact CA-O 3.37Å |
| 103 | F | 98.6 | Very high | 97.3 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.5 | 174.4 | -58.2 | -83.7 | 0 | 0 | 0 | 108.7 | V73 A74 I101 L150 D151 S152 | V73-F103 WeakPolarHBondContact O-CA 3.39Å; A74-F103 HydrophobicContact CB-CD1 3.68Å; A74-F103 HydrophobicContact CB-CE1 3.68Å; I101-F103 HydrophobicContact CG2-CE2 4.05Å; I101-F103 HydrophobicContact CG2-CZ 4.05Å; F103-L150 CarbonylContact O-C 3.46Å; F103-D151 PolarHBondContact O-N 2.87Å; F103-S152 PolarHBondContact N-O 3.27Å; F103-S152 PolarHBondContact O-N 3.36Å; F103-S152 VanDerWaalsContact O-N 3.12Å |
| 104 | G | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | -156.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K72 V73 T149 | K72-G104 WeakPolarHBondContact CA-O 3.13Å; V73-G104 PolarHBondContact N-O 3.01Å; V73-G104 PolarHBondContact O-N 3.05Å; G104-T149 VanDerWaalsContact CA-O 3.27Å; G104-T149 WeakPolarHBondContact CA-O 3.2Å |
| 105 | K | 98.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 54.7 Ų | 54.7 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.6 | 179.3 | -62.3 | -179.2 | -174 | 175.1 | 0 | 111.4 | P71 I148 T149 | P71-K105 CarbonylContact O-C 3.59Å; P71-K105 VanDerWaalsContact O-CA 3.26Å; P71-K105 WeakPolarHBondContact O-CA 3.48Å; K105-I148 WeakPolarHBondContact O-CA 3.31Å; K105-T149 PolarHBondContact N-O 2.8Å; K105-T149 VanDerWaalsContact N-O 3.07Å; K105-T149 PolarHBondContact O-N 3.47Å |
| 106 | A | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I67 P71 V73 I146 K147 I148 | I67-A106 HydrophobicContact CD1-CB 4.01Å; I67-A106 HydrophobicContact CG1-CB 3.94Å; I67-A106 HydrophobicContact CG2-CB 3.83Å; P71-A106 VanDerWaalsContact CB-O 3.29Å; P71-A106 WeakPolarHBondContact CB-O 3.27Å; P71-A106 PolarHBondContact O-N 2.94Å; V73-A106 HydrophobicContact CG1-CB 3.65Å; A106-I146 HydrophobicContact CB-CG2 3.88Å; A106-K147 CarbonylContact C-O 3.49Å; A106-K147 VanDerWaalsContact CA-O 3.28Å; A106-K147 WeakPolarHBondContact CA-O 3.48Å; A106-I148 HydrophobicContact CB-CG1 4.12Å |
| 107 | E | 98 | Very high | 97.7 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.7 | 175.2 | -179.8 | 177.1 | -164.9 | 0 | 0 | 108.7 | L109 I146 K147 | E107-L109 HydrophobicContact CG-CD2 4.28Å; E107-I146 CarbonylContact O-C 3.5Å; E107-I146 WeakPolarHBondContact O-CA 3Å; E107-K147 PolarHBondContact N-O 3.34Å; E107-K147 PolarHBondContact O-N 3Å |
| 108 | L | 97.7 | Very high | 97.7 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.1 | 173.3 | -60.8 | 168.4 | 0 | 0 | 0 | 107.9 | V64 I67 K68 I146 | V64-L108 HydrophobicContact CG1-CD1 3.67Å; V64-L108 HydrophobicContact CG1-CD2 4.46Å; V64-L108 HydrophobicContact CG2-CD2 4.18Å; I67-L108 HydrophobicContact CD1-CD2 4.39Å; I67-L108 HydrophobicContact CG2-CD2 4.49Å; I67-L108 HydrophobicContact CG2-CG 4.16Å; K68-L108 HydrophobicContact CD-CD1 4.23Å; K68-L108 HydrophobicContact CG-CD1 3.77Å; L108-I146 HydrophobicContact CD2-CG1 3.85Å |
| 109 | L | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -84.2 | 132 | -177.4 | -55.2 | -172.2 | 0 | 0 | 0 | 111 | Y54 E107 E114 R115 A118 I145 K147 | Y54-L109 HydrophobicContact CD1-CD1 4.41Å; Y54-L109 HydrophobicContact CE1-CD1 4.25Å; E107-L109 HydrophobicContact CG-CD2 4.28Å; L109-E114 HydrophobicContact CD1-CB 4.06Å; L109-E114 WeakPolarHBondContact CD2-OE2 3.31Å; L109-R115 HydrophobicContact CB-CG 4.13Å; L109-R115 PolarHBondContact O-NE 2.68Å; L109-R115 PolarHBondContact O-NH2 3.22Å; L109-A118 HydrophobicContact CD1-CB 4.34Å; L109-I145 HydrophobicContact CB-CB 4.27Å; L109-I145 HydrophobicContact CB-CG2 4.5Å; L109-I145 HydrophobicContact CD1-CB 4.28Å; L109-I145 HydrophobicContact CD1-CG2 3.66Å; L109-I145 HydrophobicContact CG-CB 4.37Å; L109-I145 HydrophobicContact CG-CG2 4.08Å; L109-I145 PolarHBondContact N-O 3.05Å; L109-K147 HydrophobicContact CD1-CB 4.2Å; L109-K147 HydrophobicContact CD2-CB 3.77Å; L109-K147 HydrophobicContact CD2-CD 3.91Å; L109-K147 HydrophobicContact CG-CB 4.06Å | ||
| 110 | D | 94.8 | Very high | 97.7 | Very high | 133 Ų | 133 | 55 Ų | 55 | 71% | 0.711 | 26% | 0.263 | S | S | * | . | trans | -108.5 | -27.5 | 175.4 | -70.2 | -40 | 0 | 0 | 0 | 113 | R115 | D110-R115 IonicContact OD1-NH2 3.45Š| ||
| 111 | D | 97 | Very high | 97.7 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | trans | -69.2 | 132.7 | 178.5 | -179 | 74.8 | 0 | 0 | 0 | 112.1 | E113 E114 R115 | D111-E113 WeakPolarHBondContact OD2-CA 3.3Å; D111-E113 WeakPolarHBondContact OD2-CB 3.46Å; D111-E113 PolarHBondContact OD2-N 3.4Å; D111-E114 HydrophobicContact CB-CB 4.22Å; D111-E114 HydrophobicContact CB-CG 4.1Å; D111-E114 PolarHBondContact OD2-N 2.97Å; D111-R115 VanDerWaalsContact O-CG 3.3Å; D111-R115 WeakPolarHBondContact O-CG 3.25Å; D111-R115 PolarHBondContact O-N 2.66Å | ||
| 112 | L | 96.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 54.5 Ų | 54.5 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.3 | -32.8 | -175.1 | -67.3 | 179.7 | 0 | 0 | 0 | 112.9 | R115 R116 E137 L140 K141 | L112-R115 PolarHBondContact O-N 2.82Å; L112-R116 WeakPolarHBondContact O-CB 3.49Å; L112-R116 PolarHBondContact O-N 3.27Å; L112-E137 HydrophobicContact CD1-CG 4.08Å; L112-L140 HydrophobicContact CD2-CB 3.98Å; L112-K141 HydrophobicContact CD2-CG 3.91Å |
| 113 | E | 97.2 | Very high | 97.6 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.3 | -42.1 | 178 | -62.4 | -55.2 | 126.8 | 0 | 0 | 110.6 | D111 R115 R116 K117 | D111-E113 WeakPolarHBondContact OD2-CA 3.3Å; D111-E113 WeakPolarHBondContact OD2-CB 3.46Å; D111-E113 PolarHBondContact OD2-N 3.4Å; E113-R115 VanDerWaalsContact C-N 3.34Å; E113-R115 PolarHBondContact O-N 3.19Å; E113-R116 PolarHBondContact O-N 3.37Å; E113-R116 IonicContact OE1-CZ 2.7Å; E113-R116 IonicContact OE1-NH1 2.76Å; E113-R116 PolarHBondContact OE1-NH1 3.33Å; E113-R116 IonicContact OE1-NH2 3.79Å; E113-R116 IonicContact OE2-CZ 3.76Å; E113-R116 IonicContact OE2-NH1 3.68Å; E113-R116 PolarHBondContact OE2-NH1 3.09Å; E113-K117 PolarHBondContact O-N 2.83Å |
| 114 | E | 97.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 173.8 | -65.8 | -159 | 168.7 | 0 | 0 | 112.3 | L109 D111 K117 A118 | L109-E114 HydrophobicContact CD1-CB 4.06Å; L109-E114 WeakPolarHBondContact CD2-OE2 3.31Å; D111-E114 HydrophobicContact CB-CB 4.22Å; D111-E114 HydrophobicContact CB-CG 4.1Å; D111-E114 PolarHBondContact OD2-N 2.97Å; E114-K117 PolarHBondContact O-N 2.51Å; E114-A118 VanDerWaalsContact O-CB 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.1Å; E114-A118 PolarHBondContact O-N 3.4Å |
| 115 | R | 97.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.1 | -75.2 | -177.6 | -179.1 | -166.4 | 3.3 | 112.1 | L109 D110 D111 L112 E113 A118 L119 L140 K141 T143 I145 | L109-R115 HydrophobicContact CB-CG 4.13Å; L109-R115 PolarHBondContact O-NE 2.68Å; L109-R115 PolarHBondContact O-NH2 3.22Å; D110-R115 IonicContact OD1-NH2 3.45Å; D111-R115 VanDerWaalsContact O-CG 3.3Å; D111-R115 WeakPolarHBondContact O-CG 3.25Å; D111-R115 PolarHBondContact O-N 2.66Å; L112-R115 PolarHBondContact O-N 2.82Å; E113-R115 VanDerWaalsContact C-N 3.34Å; E113-R115 PolarHBondContact O-N 3.19Å; R115-A118 PolarHBondContact O-N 2.8Å; R115-L119 WeakPolarHBondContact O-CB 3.22Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 2.89Å; R115-L140 WeakPolarHBondContact CD-O 3.35Å; R115-L140 PolarHBondContact NH1-O 3.03Å; R115-K141 PolarHBondContact NH1-O 3.31Å; R115-T143 PolarHBondContact NH1-O 3.41Å; R115-I145 HydrophobicContact CB-CG1 4.14Å; R115-I145 HydrophobicContact CG-CB 4.27Å; R115-I145 HydrophobicContact CG-CG1 3.82Å |
| 116 | R | 97.8 | Very high | 97.4 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -51 | 177 | -175.1 | -178.5 | -64.7 | 97.5 | -3.8 | 110.6 | L112 E113 A118 L119 H120 E134 L140 | L112-R116 WeakPolarHBondContact O-CB 3.49Å; L112-R116 PolarHBondContact O-N 3.27Å; E113-R116 PolarHBondContact O-N 3.37Å; E113-R116 IonicContact OE1-CZ 2.7Å; E113-R116 IonicContact OE1-NH1 2.76Å; E113-R116 PolarHBondContact OE1-NH1 3.33Å; E113-R116 IonicContact OE1-NH2 3.79Å; E113-R116 IonicContact OE2-CZ 3.76Å; E113-R116 IonicContact OE2-NH1 3.68Å; E113-R116 PolarHBondContact OE2-NH1 3.09Å; R116-A118 VanDerWaalsContact C-N 3.31Å; R116-A118 PolarHBondContact O-N 3.14Å; R116-L119 PolarHBondContact O-N 2.83Å; R116-L119 VanDerWaalsContact O-N 3.13Å; R116-H120 PolarHBondContact O-N 3.04Å; R116-E134 WeakPolarHBondContact CD-OE1 3.41Å; R116-E134 IonicContact NE-OE1 2.99Å; R116-L140 HydrophobicContact CB-CD1 4.03Å; R116-L140 HydrophobicContact CB-CD2 3.99Å; R116-L140 VanDerWaalsContact CZ-CD1 3.47Å; R116-L140 VanDerWaalsContact NH2-CD1 3.26Å |
| 117 | K | 98 | Very high | 97.2 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.1 | -49.3 | 175.4 | 179.4 | -171.9 | 173.4 | -166.2 | 0 | 111.3 | E45 E113 E114 L119 H120 L121 | E45-K117 IonicContact OE1-NZ 2.88Å; E45-K117 PolarHBondContact OE1-NZ 3.44Å; E45-K117 WeakPolarHBondContact OE2-CE 3.23Å; E45-K117 IonicContact OE2-NZ 3.74Å; E45-K117 PolarHBondContact OE2-NZ 2.8Å; E113-K117 PolarHBondContact O-N 2.83Å; E114-K117 PolarHBondContact O-N 2.51Å; K117-L119 VanDerWaalsContact C-N 3.32Å; K117-L119 PolarHBondContact O-N 3.07Å; K117-H120 PolarHBondContact O-N 2.72Å; K117-L121 HydrophobicContact CG-CD1 4.31Å; K117-L121 WeakPolarHBondContact O-CG 3.42Å; K117-L121 PolarHBondContact O-N 2.94Å |
| 118 | A | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y54 L109 E114 R115 R116 L122 I145 | Y54-A118 HydrophobicContact CD1-CB 3.36Å; Y54-A118 HydrophobicContact CE1-CB 3.91Å; Y54-A118 HydrophobicContact CG-CB 3.72Å; L109-A118 HydrophobicContact CD1-CB 4.34Å; E114-A118 VanDerWaalsContact O-CB 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.1Å; E114-A118 PolarHBondContact O-N 3.4Å; R115-A118 PolarHBondContact O-N 2.8Å; R116-A118 VanDerWaalsContact C-N 3.31Å; R116-A118 PolarHBondContact O-N 3.14Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 2.95Å; A118-I145 HydrophobicContact CB-CG2 3.65Å |
| 119 | L | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.2 | -35.4 | 177.6 | -73.7 | 169.2 | 0 | 0 | 0 | 112.7 | H56 R115 R116 K117 L122 M123 I135 L140 T143 I145 | H56-L119 HydrophobicContact CB-CD2 4.09Å; R115-L119 WeakPolarHBondContact O-CB 3.22Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 2.89Å; R116-L119 PolarHBondContact O-N 2.83Å; R116-L119 VanDerWaalsContact O-N 3.13Å; K117-L119 VanDerWaalsContact C-N 3.32Å; K117-L119 PolarHBondContact O-N 3.07Å; L119-L122 PolarHBondContact O-N 2.97Å; L119-M123 WeakPolarHBondContact O-CG 3.41Å; L119-M123 PolarHBondContact O-N 3.19Å; L119-I135 HydrophobicContact CB-CD1 3.34Å; L119-I135 HydrophobicContact CD1-CD1 4.2Å; L119-I135 HydrophobicContact CD1-CG2 4.35Å; L119-I135 HydrophobicContact CG-CD1 4.38Å; L119-L140 HydrophobicContact CD1-CD2 3.71Å; L119-T143 HydrophobicContact CD1-CG2 4.36Å; L119-T143 HydrophobicContact CD2-CG2 4.15Å; L119-I145 HydrophobicContact CD1-CD1 4.24Å; L119-I145 HydrophobicContact CD2-CD1 3.61Å; L119-I145 HydrophobicContact CG-CD1 3.67Å |
| 120 | H | 97.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 169.8 | -71 | 173.9 | 0 | 0 | 0 | 110.5 | R116 K117 L122 M123 D124 F132 E134 | R116-H120 PolarHBondContact O-N 3.04Å; K117-H120 PolarHBondContact O-N 2.72Å; H120-L122 PolarHBondContact O-N 2.96Å; H120-M123 WeakPolarHBondContact O-CB 3.41Å; H120-M123 PolarHBondContact O-N 3.22Å; H120-M123 VanDerWaalsContact O-N 3.08Å; H120-D124 VanDerWaalsContact O-CG 3.24Å; H120-D124 PolarHBondContact O-N 2.98Å; H120-F132 AromaticContact CD2-CE2 3.63Å; H120-F132 AromaticContact CD2-CZ 3.67Å; H120-E134 IonicContact CE1-OE1 3.01Å; H120-E134 PolarHBondContact CE1-OE1 2.87Å; H120-E134 IonicContact CE1-OE2 3.64Å; H120-E134 PolarHBondContact CE1-OE2 3.1Å; H120-E134 IonicContact NE2-OE1 3.92Å; H120-E134 PolarHBondContact NE2-OE1 3.49Å; H120-E134 IonicContact NE2-OE2 2.69Å |
| 121 | L | 97.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 18% | 0.183 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -33.8 | 175.9 | -69.1 | 172.2 | 0 | 0 | 0 | 113 | G43 E45 Y54 K117 H125 | G43-L121 WeakPolarHBondContact CA-O 3.44Å; E45-L121 HydrophobicContact CB-CD1 4.1Å; Y54-L121 HydrophobicContact CD2-CD1 3.7Å; Y54-L121 HydrophobicContact CE2-CD1 3.41Å; Y54-L121 VanDerWaalsContact CE2-CD1 3.41Å; K117-L121 HydrophobicContact CG-CD1 4.31Å; K117-L121 WeakPolarHBondContact O-CG 3.42Å; K117-L121 PolarHBondContact O-N 2.94Å; L121-H125 WeakPolarHBondContact O-CB 3.41Å; L121-H125 PolarHBondContact O-N 3.44Å |
| 122 | L | 97.3 | Very high | 96 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 175.2 | -167 | 150.8 | 0 | 0 | 0 | 111.3 | H56 A118 L119 H120 H125 A126 | H56-L122 HydrophobicContact CB-CD1 4.04Å; H56-L122 WeakPolarHBondContact ND1-CD1 3.25Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 2.95Å; L119-L122 PolarHBondContact O-N 2.97Å; H120-L122 PolarHBondContact O-N 2.96Å; L122-H125 PolarHBondContact O-N 2.94Å; L122-A126 WeakPolarHBondContact O-CB 3.39Å; L122-A126 PolarHBondContact O-N 2.61Å |
| 123 | M | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 66.4 Ų | 66.4 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 176 | -73.1 | -60.6 | -61.9 | 0 | 0 | 111.6 | L119 H120 H125 A126 A127 F132 | L119-M123 WeakPolarHBondContact O-CG 3.41Å; L119-M123 PolarHBondContact O-N 3.19Å; H120-M123 WeakPolarHBondContact O-CB 3.41Å; H120-M123 PolarHBondContact O-N 3.22Å; H120-M123 VanDerWaalsContact O-N 3.08Å; M123-H125 VanDerWaalsContact C-N 3.26Å; M123-H125 PolarHBondContact O-N 3.09Å; M123-A126 PolarHBondContact O-N 3.13Å; M123-A127 WeakPolarHBondContact O-CB 3.17Å; M123-A127 PolarHBondContact O-N 3.13Å; M123-F132 HydrophobicContact CB-CD1 4.1Å; M123-F132 HydrophobicContact CB-CE1 3.57Å; M123-F132 HydrophobicContact CB-CE2 4.39Å; M123-F132 HydrophobicContact CB-CZ 3.75Å; M123-F132 HydrophobicContact CE-CB 4.31Å; M123-F132 HydrophobicContact CE-CD1 4.13Å; M123-F132 HydrophobicContact CE-CG 4.1Å; M123-F132 HydrophobicContact CG-CE1 4.26Å; M123-F132 HydrophobicContact CG-CE2 4.28Å; M123-F132 HydrophobicContact CG-CZ 4.14Å |
| 124 | D | 96.5 | Very high | 96 | Very high | 86 Ų | 86 | 65.9 Ų | 65.9 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.2 | -44.2 | 177.9 | -70.3 | -19.8 | 0 | 0 | 0 | 111.1 | H120 K128 | H120-D124 VanDerWaalsContact O-CG 3.24Å; H120-D124 PolarHBondContact O-N 2.98Å; D124-K128 WeakPolarHBondContact O-CA 3.28Å; D124-K128 PolarHBondContact O-N 3.25Å |
| 125 | H | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.7 | -37.1 | -179 | -177.2 | -141.7 | 0 | 0 | 0 | 113.6 | E20 S22 Q23 F42 Y44 L121 L122 M123 K128 | E20-H125 PolarHBondContact O-NE2 3.03Å; E20-H125 IonicContact OE2-CD2 3.62Å; S22-H125 PolarHBondContact O-CE1 2.86Å; S22-H125 PolarHBondContact O-NE2 3.21Å; Q23-H125 PolarHBondContact NE2-NE2 3.49Å; Q23-H125 PolarHBondContact NE2-O 2.79Å; Q23-H125 VanDerWaalsContact NE2-O 3.09Å; F42-H125 AromaticContact CD2-ND1 3.99Å; F42-H125 AromaticContact CE1-CE1 3.72Å; F42-H125 AromaticContact CE2-CE1 3.55Å; F42-H125 AromaticContact CE2-ND1 3.85Å; F42-H125 AromaticContact CZ-CE1 3.35Å; F42-H125 WeakPolarHBondContact CZ-CE1 3.36Å; F42-H125 PolarHBondContact O-ND1 2.72Å; Y44-H125 HydrophobicContact CD1-CB 4.43Å; Y44-H125 AromaticContact CD1-CG 3.95Å; Y44-H125 AromaticContact CD1-ND1 3.91Å; Y44-H125 HydrophobicContact CE1-CB 4.38Å; Y44-H125 AromaticContact CE1-CD2 3.69Å; Y44-H125 AromaticContact CE1-CG 3.83Å; Y44-H125 AromaticContact CE1-NE2 3.98Å; L121-H125 WeakPolarHBondContact O-CB 3.41Å; L121-H125 PolarHBondContact O-N 3.44Å; L122-H125 PolarHBondContact O-N 2.94Å; M123-H125 VanDerWaalsContact C-N 3.26Å; M123-H125 PolarHBondContact O-N 3.09Å; H125-K128 WeakPolarHBondContact O-CG 3.36Å |
| 126 | A | 96.7 | Very high | 95.8 | Very high | 48 Ų | 48 | 65.5 Ų | 65.5 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -77 | -39.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L122 M123 | L122-A126 WeakPolarHBondContact O-CB 3.39Å; L122-A126 PolarHBondContact O-N 2.61Å; M123-A126 PolarHBondContact O-N 3.13Å |
| 127 | A | 95.1 | Very high | 95.8 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -108.4 | -4.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | M123 G129 A130 | M123-A127 WeakPolarHBondContact O-CB 3.17Å; M123-A127 PolarHBondContact O-N 3.13Å; A127-G129 PolarHBondContact O-N 3.49Å; A127-A130 HydrophobicContact CB-CB 3.75Å; A127-A130 PolarHBondContact O-N 3.22Å |
| 128 | K | 90.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 65.9 Ų | 65.9 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 44.9 | 69.5 | 168.1 | -59.5 | -162.6 | 177.4 | -136.6 | 0 | 114.5 | E20 D124 H125 | E20-K128 PolarHBondContact O-NZ 3.24Å; E20-K128 IonicContact OE1-NZ 2.86Å; E20-K128 PolarHBondContact OE1-NZ 3.14Å; D124-K128 WeakPolarHBondContact O-CA 3.28Å; D124-K128 PolarHBondContact O-N 3.25Å; H125-K128 WeakPolarHBondContact O-CG 3.36Å |
| 129 | G | 87.2 | Confident | 95.6 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 75% | 0.753 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 85 | 7.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A127 E131 | A127-G129 PolarHBondContact O-N 3.49Å; G129-E131 PolarHBondContact O-N 3.4Å |
| 130 | A | 94.1 | Very high | 95.5 | Very high | 52 Ų | 52 | 68.5 Ų | 68.5 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | trans | -65.4 | 131.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A127 | A127-A130 HydrophobicContact CB-CB 3.75Å; A127-A130 PolarHBondContact O-N 3.22Å | ||
| 131 | E | 93.6 | Very high | 95.4 | Very high | 201 Ų | 201 | 71.5 Ų | 71.5 | 94% | 0.939 | 40% | 0.404 | S | S | * | . | trans | -70.5 | 139 | 168.8 | -63.8 | -177.3 | 165.7 | 0 | 0 | 109.8 | G129 | G129-E131 PolarHBondContact O-N 3.4Š| ||
| 132 | F | 94.2 | Very high | 95.3 | Very high | 74 Ų | 74 | 77.2 Ų | 77.2 | 33% | 0.325 | 42% | 0.423 | S | S | . | . | trans | -142 | 148.7 | 174.7 | 62.6 | -86.3 | 0 | 0 | 0 | 110.1 | H120 M123 I135 | H120-F132 AromaticContact CD2-CE2 3.63Å; H120-F132 AromaticContact CD2-CZ 3.67Å; M123-F132 HydrophobicContact CB-CD1 4.1Å; M123-F132 HydrophobicContact CB-CE1 3.57Å; M123-F132 HydrophobicContact CB-CE2 4.39Å; M123-F132 HydrophobicContact CB-CZ 3.75Å; M123-F132 HydrophobicContact CE-CB 4.31Å; M123-F132 HydrophobicContact CE-CD1 4.13Å; M123-F132 HydrophobicContact CE-CG 4.1Å; M123-F132 HydrophobicContact CG-CE1 4.26Å; M123-F132 HydrophobicContact CG-CE2 4.28Å; M123-F132 HydrophobicContact CG-CZ 4.14Å; F132-I135 HydrophobicContact CE2-CD1 4.45Å; F132-I135 HydrophobicContact CE2-CG1 4.16Å | ||
| 133 | D | 96.1 | Very high | 95.2 | Very high | 155 Ų | 155 | 77.6 Ų | 77.6 | 83% | 0.829 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 151.7 | 174 | -65.7 | -43.5 | 0 | 0 | 0 | 110.9 | I135 | D133-I135 PolarHBondContact O-N 3.5Š|
| 134 | E | 96.8 | Very high | 95.1 | Very high | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 139 | 176.7 | -178.5 | 56.7 | -96 | 0 | 0 | 111.9 | R116 H120 P136 | R116-E134 WeakPolarHBondContact CD-OE1 3.41Å; R116-E134 IonicContact NE-OE1 2.99Å; H120-E134 IonicContact CE1-OE1 3.01Å; H120-E134 PolarHBondContact CE1-OE1 2.87Å; H120-E134 IonicContact CE1-OE2 3.64Å; H120-E134 PolarHBondContact CE1-OE2 3.1Å; H120-E134 IonicContact NE2-OE1 3.92Å; H120-E134 PolarHBondContact NE2-OE1 3.49Å; H120-E134 IonicContact NE2-OE2 2.69Å; E134-P136 VanDerWaalsContact O-CD 3.23Å; E134-P136 WeakPolarHBondContact O-CD 3.21Å |
| 135 | I | 95.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.082 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 117 | -177.4 | -56.7 | -179.6 | 0 | 0 | 0 | 108.9 | L119 F132 D133 M139 L140 | L119-I135 HydrophobicContact CB-CD1 3.34Å; L119-I135 HydrophobicContact CD1-CD1 4.2Å; L119-I135 HydrophobicContact CD1-CG2 4.35Å; L119-I135 HydrophobicContact CG-CD1 4.38Å; F132-I135 HydrophobicContact CE2-CD1 4.45Å; F132-I135 HydrophobicContact CE2-CG1 4.16Å; D133-I135 PolarHBondContact O-N 3.5Å; I135-M139 HydrophobicContact CG2-CB 4.09Å; I135-M139 HydrophobicContact CG2-CG 4.26Å; I135-M139 HydrophobicContact CG2-SD 3.97Å; I135-L140 HydrophobicContact CB-CD2 4.19Å; I135-L140 HydrophobicContact CG2-CD2 3.55Å; I135-L140 HydrophobicContact CG2-CG 4.04Å |
| 136 | P | 97 | Very high | 95.2 | Very high | 82 Ų | 82 | 71 Ų | 71 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.1 | -178.8 | -23.4 | 34.2 | 0 | 0 | 0 | 111.7 | E134 G138 M139 L140 | E134-P136 VanDerWaalsContact O-CD 3.23Å; E134-P136 WeakPolarHBondContact O-CD 3.21Å; P136-G138 PolarHBondContact O-N 2.91Å; P136-G138 VanDerWaalsContact O-N 3.15Å; P136-M139 WeakPolarHBondContact O-CA 3.4Å; P136-M139 VanDerWaalsContact O-CB 3.26Å; P136-M139 WeakPolarHBondContact O-CB 3.48Å; P136-M139 PolarHBondContact O-N 3.21Å; P136-L140 PolarHBondContact O-N 3.07Å |
| 137 | E | 96.3 | Very high | 95.3 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.8 | -36.1 | -179 | -167.5 | -170.6 | 137 | 0 | 0 | 113 | L112 M139 L140 K141 | L112-E137 HydrophobicContact CD1-CG 4.08Å; E137-M139 PolarHBondContact O-N 2.86Å; E137-L140 WeakPolarHBondContact O-CB 3.48Å; E137-L140 PolarHBondContact O-N 3.28Å; E137-L140 VanDerWaalsContact O-N 3.11Å; E137-K141 PolarHBondContact O-N 3.46Å; E137-K141 WeakPolarHBondContact OE1-CE 3.45Å; E137-K141 IonicContact OE1-NZ 2.64Å; E137-K141 PolarHBondContact OE1-NZ 3.13Å |
| 138 | G | 96.5 | Very high | 95.5 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 45% | 0.454 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -23.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P136 R142 | P136-G138 PolarHBondContact O-N 2.91Å; P136-G138 VanDerWaalsContact O-N 3.15Å; G138-R142 VanDerWaalsContact C-NH1 3.26Å; G138-R142 WeakPolarHBondContact O-CG 3.01Å; G138-R142 PolarHBondContact O-NH1 3.44Å |
| 139 | M | 95.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.9 | -44.2 | 170.1 | -170.7 | -179.4 | -76.4 | 0 | 0 | 110.9 | I135 P136 E137 K141 R142 T143 | I135-M139 HydrophobicContact CG2-CB 4.09Å; I135-M139 HydrophobicContact CG2-CG 4.26Å; I135-M139 HydrophobicContact CG2-SD 3.97Å; P136-M139 WeakPolarHBondContact O-CA 3.4Å; P136-M139 VanDerWaalsContact O-CB 3.26Å; P136-M139 WeakPolarHBondContact O-CB 3.48Å; P136-M139 PolarHBondContact O-N 3.21Å; E137-M139 PolarHBondContact O-N 2.86Å; M139-K141 PolarHBondContact O-N 3.41Å; M139-R142 VanDerWaalsContact CA-NH1 3.31Å; M139-R142 WeakPolarHBondContact O-CG 3.44Å; M139-R142 PolarHBondContact O-N 2.71Å; M139-T143 WeakPolarHBondContact O-CB 3.21Å; M139-T143 PolarHBondContact O-N 2.88Å; M139-T143 PolarHBondContact O-OG1 3.48Å; M139-T143 VanDerWaalsContact O-OG1 3.05Å |
| 140 | L | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.9 | -39.6 | 176.7 | -58.8 | 177.8 | 0 | 0 | 0 | 112.6 | L112 R115 R116 L119 I135 P136 E137 | L112-L140 HydrophobicContact CD2-CB 3.98Å; R115-L140 WeakPolarHBondContact CD-O 3.35Å; R115-L140 PolarHBondContact NH1-O 3.03Å; R116-L140 HydrophobicContact CB-CD1 4.03Å; R116-L140 HydrophobicContact CB-CD2 3.99Å; R116-L140 VanDerWaalsContact CZ-CD1 3.47Å; R116-L140 VanDerWaalsContact NH2-CD1 3.26Å; L119-L140 HydrophobicContact CD1-CD2 3.71Å; I135-L140 HydrophobicContact CB-CD2 4.19Å; I135-L140 HydrophobicContact CG2-CD2 3.55Å; I135-L140 HydrophobicContact CG2-CG 4.04Å; P136-L140 PolarHBondContact O-N 3.07Å; E137-L140 WeakPolarHBondContact O-CB 3.48Å; E137-L140 PolarHBondContact O-N 3.28Å; E137-L140 VanDerWaalsContact O-N 3.11Å |
| 141 | K | 95 | Very high | 96.6 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 179.8 | -73.8 | 173.6 | 172 | 170.7 | 0 | 113.3 | N59 L112 R115 E137 M139 | N59-K141 PolarHBondContact ND2-O 2.84Å; N59-K141 VanDerWaalsContact ND2-O 3.07Å; L112-K141 HydrophobicContact CD2-CG 3.91Å; R115-K141 PolarHBondContact NH1-O 3.31Å; E137-K141 PolarHBondContact O-N 3.46Å; E137-K141 WeakPolarHBondContact OE1-CE 3.45Å; E137-K141 IonicContact OE1-NZ 2.64Å; E137-K141 PolarHBondContact OE1-NZ 3.13Å; M139-K141 PolarHBondContact O-N 3.41Å |
| 142 | R | 95.2 | Very high | 96.8 | Very high | 155 Ų | 155 | 57.5 Ų | 57.5 | 59% | 0.585 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -90 | -18.4 | -175.8 | 70.9 | -179.8 | -179.2 | -102.7 | 5.8 | 114.4 | N59 G138 M139 | N59-R142 PolarHBondContact ND2-O 3.4Å; G138-R142 VanDerWaalsContact C-NH1 3.26Å; G138-R142 WeakPolarHBondContact O-CG 3.01Å; G138-R142 PolarHBondContact O-NH1 3.44Å; M139-R142 VanDerWaalsContact CA-NH1 3.31Å; M139-R142 WeakPolarHBondContact O-CG 3.44Å; M139-R142 PolarHBondContact O-N 2.71Å |
| 143 | T | 95.9 | Very high | 97 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.8 | 179.5 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | H56 R115 L119 M139 I145 | H56-T143 HydrophobicContact CB-CG2 3.95Å; R115-T143 PolarHBondContact NH1-O 3.41Å; L119-T143 HydrophobicContact CD1-CG2 4.36Å; L119-T143 HydrophobicContact CD2-CG2 4.15Å; M139-T143 WeakPolarHBondContact O-CB 3.21Å; M139-T143 PolarHBondContact O-N 2.88Å; M139-T143 PolarHBondContact O-OG1 3.48Å; M139-T143 VanDerWaalsContact O-OG1 3.05Å; T143-I145 HydrophobicContact CG2-CD1 3.98Å |
| 144 | G | 96.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 138.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H56 G57 N59 | H56-G144 CarbonylContact C-O 3.53Å; H56-G144 WeakPolarHBondContact CA-O 3.45Å; G57-G144 PolarHBondContact N-O 2.88Å; G57-G144 WeakPolarHBondContact O-CA 3.41Å; G57-G144 PolarHBondContact O-N 2.92Å; N59-G144 WeakPolarHBondContact OD1-CA 3.36Å; N59-G144 PolarHBondContact OD1-N 3.13Å |
| 145 | I | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.2 | 178.1 | -56.6 | -62.5 | 0 | 0 | 0 | 109.4 | Y54 V55 H56 L109 R115 A118 L119 T143 | Y54-I145 HydrophobicContact CD1-CG2 4.39Å; V55-I145 WeakPolarHBondContact O-CA 3.37Å; H56-I145 HydrophobicContact CB-CD1 3.92Å; L109-I145 HydrophobicContact CB-CB 4.27Å; L109-I145 HydrophobicContact CB-CG2 4.5Å; L109-I145 HydrophobicContact CD1-CB 4.28Å; L109-I145 HydrophobicContact CD1-CG2 3.66Å; L109-I145 HydrophobicContact CG-CB 4.37Å; L109-I145 HydrophobicContact CG-CG2 4.08Å; L109-I145 PolarHBondContact N-O 3.05Å; R115-I145 HydrophobicContact CB-CG1 4.14Å; R115-I145 HydrophobicContact CG-CB 4.27Å; R115-I145 HydrophobicContact CG-CG1 3.82Å; A118-I145 HydrophobicContact CB-CG2 3.65Å; L119-I145 HydrophobicContact CD1-CD1 4.24Å; L119-I145 HydrophobicContact CD2-CD1 3.61Å; L119-I145 HydrophobicContact CG-CD1 3.67Å; T143-I145 HydrophobicContact CG2-CD1 3.98Å |
| 146 | I | 98.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.2 | 171 | -56.8 | 161.7 | 0 | 0 | 0 | 107.4 | Y54 V55 K63 I67 A106 E107 L108 I148 | Y54-I146 WeakPolarHBondContact CA-O 3.32Å; V55-I146 HydrophobicContact CB-CB 4.39Å; V55-I146 PolarHBondContact N-O 2.93Å; V55-I146 PolarHBondContact O-N 3.1Å; K63-I146 HydrophobicContact CB-CD1 4.43Å; K63-I146 HydrophobicContact CD-CD1 4.47Å; I67-I146 HydrophobicContact CD1-CB 4.47Å; I67-I146 HydrophobicContact CD1-CD1 3.65Å; I67-I146 HydrophobicContact CD1-CG1 3.87Å; I67-I146 HydrophobicContact CD1-CG2 3.72Å; A106-I146 HydrophobicContact CB-CG2 3.88Å; E107-I146 CarbonylContact O-C 3.5Å; E107-I146 WeakPolarHBondContact O-CA 3Å; L108-I146 HydrophobicContact CD2-CG1 3.85Å; I146-I148 HydrophobicContact CG2-CD1 4.36Å; I146-I148 HydrophobicContact CG2-CG1 3.9Å |
| 147 | K | 98.6 | Very high | 97 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.8 | 169.4 | 176.6 | -176.6 | 176.7 | -172.7 | 0 | 108.7 | T52 L53 Y54 A106 E107 L109 | T52-K147 HydrophobicContact CG2-CD 4.48Å; T52-K147 HydrophobicContact CG2-CG 3.74Å; L53-K147 CarbonylContact O-C 3.53Å; L53-K147 WeakPolarHBondContact O-CA 3.41Å; Y54-K147 HydrophobicContact CD1-CB 4.11Å; Y54-K147 HydrophobicContact CD1-CG 4.23Å; Y54-K147 HydrophobicContact CE1-CB 4Å; Y54-K147 HydrophobicContact CE1-CD 4.05Å; Y54-K147 HydrophobicContact CE1-CG 3.71Å; A106-K147 CarbonylContact C-O 3.49Å; A106-K147 VanDerWaalsContact CA-O 3.28Å; A106-K147 WeakPolarHBondContact CA-O 3.48Å; E107-K147 PolarHBondContact N-O 3.34Å; E107-K147 PolarHBondContact O-N 3Å; L109-K147 HydrophobicContact CD1-CB 4.2Å; L109-K147 HydrophobicContact CD2-CB 3.77Å; L109-K147 HydrophobicContact CD2-CD 3.91Å; L109-K147 HydrophobicContact CG-CB 4.06Å |
| 148 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.5 | 178.4 | -58.9 | 173.7 | 0 | 0 | 0 | 108.4 | I27 T52 L53 V73 V75 K105 A106 I146 L150 | I27-I148 HydrophobicContact CD1-CD1 3.62Å; I27-I148 HydrophobicContact CG1-CD1 3.8Å; I27-I148 HydrophobicContact CG2-CD1 4.19Å; T52-I148 CarbonylContact C-O 3.55Å; T52-I148 WeakPolarHBondContact CA-O 3.18Å; L53-I148 HydrophobicContact CB-CB 4.3Å; L53-I148 PolarHBondContact N-O 3.26Å; L53-I148 PolarHBondContact O-N 3.48Å; V73-I148 HydrophobicContact CG2-CD1 4.41Å; V73-I148 HydrophobicContact CG2-CG1 4.47Å; V73-I148 HydrophobicContact CG2-CG2 3.53Å; V75-I148 HydrophobicContact CG1-CD1 4.29Å; V75-I148 HydrophobicContact CG1-CG2 4.14Å; K105-I148 WeakPolarHBondContact O-CA 3.31Å; A106-I148 HydrophobicContact CB-CG1 4.12Å; I146-I148 HydrophobicContact CG2-CD1 4.36Å; I146-I148 HydrophobicContact CG2-CG1 3.9Å; I148-L150 HydrophobicContact CG2-CD2 3.78Å |
| 149 | T | 98.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 23% | 0.233 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.6 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | K50 T52 G104 K105 | K50-T149 HydrophobicContact CD-CG2 4.37Å; K50-T149 HydrophobicContact CG-CG2 4.36Å; T52-T149 PolarHBondContact OG1-OG1 3.43Å; G104-T149 VanDerWaalsContact CA-O 3.27Å; G104-T149 WeakPolarHBondContact CA-O 3.2Å; K105-T149 PolarHBondContact N-O 2.8Å; K105-T149 VanDerWaalsContact N-O 3.07Å; K105-T149 PolarHBondContact O-N 3.47Å |
| 150 | L | 98.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.4 | -177.5 | -59.8 | -173.3 | 0 | 0 | 0 | 111.5 | K50 L51 V75 F103 I148 Y153 | K50-L150 VanDerWaalsContact CD-O 3.31Å; K50-L150 WeakPolarHBondContact CD-O 3.41Å; K50-L150 WeakPolarHBondContact CE-O 3.33Å; K50-L150 PolarHBondContact NZ-O 2.99Å; L51-L150 HydrophobicContact CB-CD1 4.22Å; L51-L150 HydrophobicContact CD2-CD1 3.87Å; L51-L150 HydrophobicContact CG-CD1 4.12Å; L51-L150 PolarHBondContact O-N 3.48Å; V75-L150 HydrophobicContact CG1-CD2 4.18Å; V75-L150 HydrophobicContact CG2-CD1 3.77Å; V75-L150 HydrophobicContact CG2-CD2 3.58Å; V75-L150 HydrophobicContact CG2-CG 4.33Å; F103-L150 CarbonylContact O-C 3.46Å; I148-L150 HydrophobicContact CG2-CD2 3.78Å; L150-Y153 HydrophobicContact CB-CD1 4.4Å; L150-Y153 HydrophobicContact CD1-CD1 4.3Å |
| 151 | D | 98.4 | Very high | 96.5 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -29.4 | 173.6 | -67.1 | -34.6 | 0 | 0 | 0 | 112.3 | K50 F103 | K50-D151 IonicContact NZ-OD1 2.72Å; K50-D151 PolarHBondContact NZ-OD1 2.83Å; K50-D151 VanDerWaalsContact NZ-OD1 3.07Å; F103-D151 PolarHBondContact O-N 2.87Å |
| 152 | S | 98 | Very high | 96.4 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.2 | 171.7 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | G102 F103 | G102-S152 CarbonylContact C-O 3.55Å; G102-S152 WeakPolarHBondContact CA-O 3.37Å; F103-S152 PolarHBondContact N-O 3.27Å; F103-S152 PolarHBondContact O-N 3.36Å; F103-S152 VanDerWaalsContact O-N 3.12Å |
| 153 | Y | 97.8 | Very high | 96.1 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.8 | 167 | 55.1 | -96.5 | 0 | 0 | 0 | 109.9 | I15 W46 E49 L51 L100 I101 L150 | I15-Y153 HydrophobicContact CD1-CE2 4.01Å; I15-Y153 HydrophobicContact CG2-CD2 4.23Å; I15-Y153 HydrophobicContact CG2-CE2 3.84Å; W46-Y153 HydrophobicContact CH2-CE1 4.38Å; W46-Y153 HydrophobicContact CZ3-CE1 4.11Å; W46-Y153 AromaticContact CZ3-CZ 3.86Å; W46-Y153 WeakPolarHBondContact CZ3-OH 3.16Å; E49-Y153 VanDerWaalsContact O-CE1 3.25Å; E49-Y153 WeakPolarHBondContact O-CE1 3.13Å; E49-Y153 PolarHBondContact O-OH 3.02Å; L51-Y153 HydrophobicContact CB-CD1 4.4Å; L51-Y153 HydrophobicContact CB-CE1 4.19Å; L100-Y153 HydrophobicContact CD1-CD2 4.15Å; L100-Y153 HydrophobicContact CD1-CG 4.36Å; I101-Y153 CarbonylContact O-C 3.52Å; I101-Y153 VanDerWaalsContact O-CA 3.27Å; I101-Y153 WeakPolarHBondContact O-CA 3.46Å; L150-Y153 HydrophobicContact CB-CD1 4.4Å; L150-Y153 HydrophobicContact CD1-CD1 4.3Å |
| 154 | T | 97 | Very high | 95.5 | Very high | 65 Ų | 65 | 52 Ų | 52 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140 | 171.3 | 58.4 | 0 | 0 | 0 | 0 | 108.8 | L100 I101 | L100-T154 WeakPolarHBondContact CA-O 3.3Å; I101-T154 PolarHBondContact N-O 2.66Å; I101-T154 PolarHBondContact O-N 2.73Å |
| 155 | M | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141 | 171.6 | 177.8 | 177.8 | 172.1 | 0 | 0 | 110.3 | V9 I15 L18 Q98 S99 | V9-M155 HydrophobicContact CB-CB 4Å; V9-M155 HydrophobicContact CB-CE 4.43Å; V9-M155 HydrophobicContact CB-CG 3.81Å; V9-M155 HydrophobicContact CB-SD 3.9Å; V9-M155 HydrophobicContact CG1-CE 4.39Å; V9-M155 HydrophobicContact CG1-CG 4.46Å; V9-M155 HydrophobicContact CG1-SD 3.89Å; V9-M155 HydrophobicContact CG2-CE 4.05Å; V9-M155 HydrophobicContact CG2-CG 3.94Å; V9-M155 HydrophobicContact CG2-SD 4.15Å; V9-M155 PolarHBondContact N-O 2.83Å; I15-M155 HydrophobicContact CB-SD 4.21Å; I15-M155 HydrophobicContact CD1-CB 4.37Å; I15-M155 HydrophobicContact CG1-CB 3.84Å; I15-M155 HydrophobicContact CG1-CG 4.4Å; I15-M155 HydrophobicContact CG1-SD 3.64Å; L18-M155 HydrophobicContact CB-CE 4.05Å; L18-M155 HydrophobicContact CB-SD 4.22Å; L18-M155 HydrophobicContact CD2-CE 3.96Å; L18-M155 HydrophobicContact CD2-CG 4.15Å; L18-M155 HydrophobicContact CD2-SD 3.97Å; Q98-M155 HydrophobicContact CB-CE 3.95Å; Q98-M155 HydrophobicContact CG-CE 3.68Å; S99-M155 CarbonylContact O-C 3.52Å; S99-M155 WeakPolarHBondContact O-CA 3.18Å; S99-M155 WeakPolarHBondContact O-CG 3.49Å |
| 156 | K | 96.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 30% | 0.296 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.7 | 170.2 | -68.2 | 171.1 | -170.7 | 157.2 | 0 | 110.3 | M2 R7 Y97 Q98 S99 | M2-K156 HydrophobicContact SD-CD 4.04Å; M2-K156 WeakPolarHBondContact SD-CE 3.33Å; M2-K156 HydrophobicContact SD-CG 3.67Å; R7-K156 CarbonylContact O-C 3.52Å; R7-K156 WeakPolarHBondContact O-CA 3.25Å; Y97-K156 HydrophobicContact CE2-CB 4.05Å; Q98-K156 CarbonylContact C-O 3.56Å; Q98-K156 WeakPolarHBondContact CA-O 3.26Å; S99-K156 PolarHBondContact N-O 2.84Å; S99-K156 PolarHBondContact O-N 3.28Å |
| 157 | E | 95.9 | Very high | 95.1 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 155.1 | 169.4 | 75.5 | -173.9 | 172.6 | 0 | 0 | 113.7 | R7 V9 Y97 Q98 I159 | R7-E157 VanDerWaalsContact CB-O 3.26Å; R7-E157 WeakPolarHBondContact CB-O 3.22Å; R7-E157 VanDerWaalsContact CG-O 3.25Å; R7-E157 WeakPolarHBondContact CG-O 3.24Å; R7-E157 PolarHBondContact O-N 3.18Å; V9-E157 HydrophobicContact CG2-CB 3.89Å; V9-E157 HydrophobicContact CG2-CG 3.44Å; V9-E157 VanDerWaalsContact CG2-CG 3.44Å; Y97-E157 CarbonylContact O-C 3.56Å; Y97-E157 WeakPolarHBondContact O-CA 3.05Å; Q98-E157 HydrophobicContact CG-CB 3.7Å; Q98-E157 PolarHBondContact NE2-OE2 2.95Å; E157-I159 HydrophobicContact CG-CG1 4.2Å |
| 158 | N | 94.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 105.3 | 161.8 | -171.4 | 58.9 | 0 | 0 | 0 | 106.3 | R7 S94 Y95 A96 Y97 | R7-N158 PolarHBondContact NH2-OD1 3.47Å; S94-N158 PolarHBondContact OG-ND2 3.09Å; Y95-N158 PolarHBondContact O-ND2 2.97Å; A96-N158 CarbonylContact C-O 3.5Å; A96-N158 WeakPolarHBondContact CA-O 3.33Å; A96-N158 VanDerWaalsContact CB-O 3.22Å; A96-N158 WeakPolarHBondContact CB-O 3.36Å; Y97-N158 HydrophobicContact CD1-CB 3.88Å; Y97-N158 HydrophobicContact CE1-CB 3.68Å; Y97-N158 PolarHBondContact N-O 3.34Å; Y97-N158 PolarHBondContact O-N 3.5Å |
| 159 | I | 92.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 35% | 0.349 | 34% | 0.337 | S | S | . | . | trans | -75.7 | 134.4 | -177.4 | -54.9 | 175.6 | 0 | 0 | 0 | 109.1 | E157 D163 K164 | E157-I159 HydrophobicContact CG-CG1 4.2Å; I159-D163 HydrophobicContact CG2-CB 3.89Å; I159-K164 HydrophobicContact CB-CG 4.24Å; I159-K164 HydrophobicContact CG2-CG 3.83Å | ||
| 160 | H | 94 | Very high | 94.4 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 6% | 0.06 | 34% | 0.344 | C | S | . | . | trans | -61 | 141.2 | 174.6 | -166.5 | -84.1 | 0 | 0 | 0 | 109.6 | K82 L83 A96 D162 D163 | K82-H160 HydrophobicContact CD-CB 4.33Å; L83-H160 PolarHBondContact O-NE2 3.01Å; L83-H160 VanDerWaalsContact O-NE2 3.13Å; A96-H160 HydrophobicContact CB-CB 3.65Å; H160-D162 IonicContact CE1-OD1 3.39Å; H160-D162 PolarHBondContact CE1-OD1 3.18Å; H160-D162 IonicContact CE1-OD2 2.98Å; H160-D162 PolarHBondContact CE1-OD2 3.12Å; H160-D162 WeakPolarHBondContact ND1-CB 3.47Å; H160-D162 PolarHBondContact ND1-N 3.39Å; H160-D162 VanDerWaalsContact ND1-N 3.18Å; H160-D162 IonicContact ND1-OD1 3.51Å; H160-D162 IonicContact ND1-OD2 3.2Å; H160-D162 PolarHBondContact ND1-OD2 3.3Å; H160-D162 PolarHBondContact O-N 2.98Å; H160-D163 HydrophobicContact CB-CB 4.46Å; H160-D163 VanDerWaalsContact CB-OD2 3.29Å; H160-D163 WeakPolarHBondContact CB-OD2 3.29Å; H160-D163 PolarHBondContact O-N 3.2Å | ||
| 161 | P | 91.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -51.6 | -38.6 | 178.7 | -29.4 | 36.5 | 0 | 0 | 0 | 114.7 | V84 D163 K164 | V84-P161 HydrophobicContact CG1-CG 3.88Å; P161-D163 PolarHBondContact O-N 2.96Å; P161-K164 PolarHBondContact O-N 3.49Å |
| 162 | D | 92.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 68.8 Ų | 68.8 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -64.3 | -19.4 | 176.4 | -49.2 | -10.1 | 0 | 0 | 0 | 114.9 | K82 H160 | K82-D162 IonicContact NZ-OD2 3.69Å; K82-D162 PolarHBondContact NZ-OD2 2.99Å; H160-D162 IonicContact CE1-OD1 3.39Å; H160-D162 PolarHBondContact CE1-OD1 3.18Å; H160-D162 IonicContact CE1-OD2 2.98Å; H160-D162 PolarHBondContact CE1-OD2 3.12Å; H160-D162 WeakPolarHBondContact ND1-CB 3.47Å; H160-D162 PolarHBondContact ND1-N 3.39Å; H160-D162 VanDerWaalsContact ND1-N 3.18Å; H160-D162 IonicContact ND1-OD1 3.51Å; H160-D162 IonicContact ND1-OD2 3.2Å; H160-D162 PolarHBondContact ND1-OD2 3.3Å; H160-D162 PolarHBondContact O-N 2.98Å |
| 163 | D | 88.8 | Confident | 93.4 | Very high | 108 Ų | 108 | 69.3 Ų | 69.3 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -106.7 | 13.6 | -173.7 | -55.1 | -37.9 | 0 | 0 | 0 | 112.1 | I159 H160 P161 | I159-D163 HydrophobicContact CG2-CB 3.89Å; H160-D163 HydrophobicContact CB-CB 4.46Å; H160-D163 VanDerWaalsContact CB-OD2 3.29Å; H160-D163 WeakPolarHBondContact CB-OD2 3.29Å; H160-D163 PolarHBondContact O-N 3.2Å; P161-D163 PolarHBondContact O-N 2.96Å |
| 164 | K | 82.1 | Confident | 93 | Very high | 204 Ų | 204 | 71.5 Ų | 71.5 | 89% | 0.887 | 37% | 0.365 | S | S | * | . | trans | -95.8 | 0 | -178.9 | -74.4 | -177.1 | -176.2 | 170.4 | 0 | 114 | I159 P161 | I159-K164 HydrophobicContact CB-CG 4.24Å; I159-K164 HydrophobicContact CG2-CG 3.83Å; P161-K164 PolarHBondContact O-N 3.49Å |
Retrieved 164 of 164 residues in 124.6 ms
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