| 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 | 76.9 | Confident | 92.1 | Very high | 172 Ų | 172 | 45.1 Ų | 45.1 | 85% | 0.847 | 22% | 0.22 | S | C | * | . | 0 | 127.1 | 0 | -72 | 170.6 | 175.6 | 0 | 0 | 108.2 | H69 | M1-H69 HydrophobicContact CB-CB 4.35Å; M1-H69 PolarHBondContact O-ND1 3.37Å | |||
| 2 | P | 89.1 | Confident | 92.1 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | trans | -60.3 | 153.3 | 177.3 | 21.9 | -28.9 | 0 | 0 | 0 | 111.5 | Y4 H69 A70 | P2-Y4 HydrophobicContact CB-CE2 3.95Å; P2-Y4 HydrophobicContact CG-CE2 3.67Å; P2-H69 PolarHBondContact O-ND1 3.5Å; P2-H69 VanDerWaalsContact O-ND1 3.1Å; P2-A70 WeakPolarHBondContact CD-O 3.5Å; P2-A70 WeakPolarHBondContact CG-O 3.28Å; P2-A70 PolarHBondContact O-N 2.71Å | ||
| 3 | R | 91.1 | Very high | 92.1 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.2 | 175.8 | -168.6 | 180 | 176.2 | -167.5 | -3.4 | 108.3 | D67 N96 | R3-D67 VanDerWaalsContact CG-OD1 3.31Å; R3-D67 WeakPolarHBondContact CG-OD1 3.26Å; R3-D67 IonicContact CZ-OD1 3.2Å; R3-D67 IonicContact CZ-OD2 3.27Å; R3-D67 VanDerWaalsContact NE-CG 3.29Å; R3-D67 IonicContact NE-OD1 3Å; R3-D67 PolarHBondContact NE-OD1 3.48Å; R3-D67 IonicContact NE-OD2 2.69Å; R3-D67 PolarHBondContact NE-OD2 2.87Å; R3-D67 IonicContact NH2-OD1 2.8Å; R3-D67 IonicContact NH2-OD2 2.64Å; R3-D67 PolarHBondContact NH2-OD2 3.48Å; R3-N96 HydrophobicContact CB-CB 4.09Å; R3-N96 HydrophobicContact CG-CB 3.86Å; R3-N96 PolarHBondContact O-N 3.41Å |
| 4 | Y | 93.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.8 | 177.1 | -64.7 | -80.2 | 0 | 0 | 0 | 109.7 | P2 F68 A70 V75 V93 L94 K95 | P2-Y4 HydrophobicContact CB-CE2 3.95Å; P2-Y4 HydrophobicContact CG-CE2 3.67Å; Y4-F68 VanDerWaalsContact CB-CZ 3.49Å; Y4-F68 HydrophobicContact CD2-CE2 4.26Å; Y4-F68 HydrophobicContact CG-CE2 4.43Å; Y4-F68 HydrophobicContact CG-CZ 4.3Å; Y4-F68 PolarHBondContact N-O 3.33Å; Y4-F68 PolarHBondContact O-N 3.11Å; Y4-F68 VanDerWaalsContact O-O 3.11Å; Y4-A70 HydrophobicContact CD2-CB 3.93Å; Y4-A70 HydrophobicContact CE2-CB 4.15Å; Y4-V75 HydrophobicContact CD2-CG2 4.27Å; Y4-V75 HydrophobicContact CE1-CG2 4.29Å; Y4-V75 HydrophobicContact CE2-CG2 3.87Å; Y4-V93 HydrophobicContact CD1-CG1 3.97Å; Y4-V93 HydrophobicContact CG-CG1 4.35Å; Y4-L94 CarbonylContact C-O 3.59Å; Y4-L94 VanDerWaalsContact CA-O 3.27Å; Y4-L94 WeakPolarHBondContact CA-O 3.25Å; Y4-K95 HydrophobicContact CD1-CB 4.33Å; Y4-K95 HydrophobicContact CE1-CB 4.28Å; Y4-K95 HydrophobicContact CE1-CG 4.25Å |
| 5 | E | 94 | Very high | 92.1 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128 | 170.2 | -163.4 | 168.5 | 116.5 | 0 | 0 | 108.6 | I66 V93 L94 N96 | E5-I66 WeakPolarHBondContact CA-O 3.3Å; E5-V93 CarbonylContact O-C 3.52Å; E5-V93 WeakPolarHBondContact O-CA 3.39Å; E5-L94 HydrophobicContact CB-CB 4.43Å; E5-L94 PolarHBondContact N-O 3.3Å; E5-L94 PolarHBondContact O-N 3.33Å; E5-N96 PolarHBondContact OE2-ND2 3.12Å; E5-N96 PolarHBondContact OE2-OD1 3.47Å |
| 6 | L | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 107.3 | 171.2 | 173.1 | 66.6 | 0 | 0 | 0 | 108 | T25 L65 I66 F68 L82 P91 T92 V93 | L6-T25 HydrophobicContact CD2-CG2 4.16Å; L6-L65 WeakPolarHBondContact O-CA 3.36Å; L6-I66 HydrophobicContact CB-CB 4.26Å; L6-I66 HydrophobicContact CD2-CD1 4.3Å; L6-I66 PolarHBondContact N-O 3.19Å; L6-I66 PolarHBondContact O-N 3.48Å; L6-F68 HydrophobicContact CB-CD1 4.35Å; L6-F68 HydrophobicContact CB-CE1 3.7Å; L6-L82 HydrophobicContact CD1-CD1 3.78Å; L6-L82 HydrophobicContact CD2-CD1 3.82Å; L6-L82 HydrophobicContact CG-CD1 4.47Å; L6-P91 HydrophobicContact CD1-CB 4.46Å; L6-T92 WeakPolarHBondContact CA-O 3.33Å; L6-V93 HydrophobicContact CD1-CG2 3.72Å |
| 7 | A | 94.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 65.5 Ų | 65.5 | 21% | 0.207 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 110 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L65 T92 L94 | A7-L65 HydrophobicContact CB-CD2 3.83Å; A7-T92 PolarHBondContact N-O 2.97Å; A7-T92 PolarHBondContact O-N 2.71Å; A7-L94 HydrophobicContact CB-CD1 3.98Å |
| 8 | L | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.9 | -175.4 | -164.7 | 79.7 | 0 | 0 | 0 | 109.8 | V10 L21 L22 F64 L82 V88 P91 | L8-V10 HydrophobicContact CD2-CG1 3.43Å; L8-V10 VanDerWaalsContact CD2-CG1 3.43Å; L8-V10 HydrophobicContact CG-CG1 3.81Å; L8-L21 HydrophobicContact CD2-CD2 3.94Å; L8-L22 HydrophobicContact CD2-CD2 4.3Å; L8-F64 HydrophobicContact CB-CB 4.35Å; L8-F64 PolarHBondContact N-O 2.91Å; L8-F64 PolarHBondContact O-N 3.45Å; L8-L82 HydrophobicContact CD1-CD2 4.27Å; L8-V88 HydrophobicContact CD1-CG1 3.76Å; L8-V88 HydrophobicContact CD1-CG2 4.13Å; L8-P91 HydrophobicContact CD1-CB 4.42Å |
| 9 | I | 95.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.8 | 166.8 | -53.4 | -177.1 | 0 | 0 | 0 | 107.8 | L47 G62 Y63 V89 R90 | I9-L47 HydrophobicContact CG2-CD2 3.72Å; I9-G62 WeakPolarHBondContact CA-O 3.28Å; I9-Y63 HydrophobicContact CD1-CD1 4.37Å; I9-Y63 HydrophobicContact CD1-CE1 3.77Å; I9-Y63 HydrophobicContact CG1-CD1 4.06Å; I9-Y63 HydrophobicContact CG1-CE1 3.96Å; I9-V89 HydrophobicContact CB-CB 4.5Å; I9-V89 HydrophobicContact CG2-CB 4.1Å; I9-V89 HydrophobicContact CG2-CG1 4.44Å; I9-V89 WeakPolarHBondContact O-CA 3.18Å; I9-V89 WeakPolarHBondContact O-CB 3.31Å; I9-V89 PolarHBondContact O-N 3.48Å; I9-R90 HydrophobicContact CB-CB 4.11Å; I9-R90 HydrophobicContact CD1-CB 4.16Å; I9-R90 HydrophobicContact CG1-CB 4.33Å; I9-R90 PolarHBondContact N-O 3.09Å; I9-R90 PolarHBondContact O-N 3.08Å; I9-R90 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 154.6 | 179.6 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | L8 T18 L21 G61 G62 F64 | L8-V10 HydrophobicContact CD2-CG1 3.43Å; L8-V10 VanDerWaalsContact CD2-CG1 3.43Å; L8-V10 HydrophobicContact CG-CG1 3.81Å; V10-T18 HydrophobicContact CG2-CG2 4.47Å; V10-L21 HydrophobicContact CB-CD2 4.2Å; V10-L21 HydrophobicContact CG1-CD2 3.37Å; V10-G61 CarbonylContact O-C 3.58Å; V10-G61 WeakPolarHBondContact O-CA 3.41Å; V10-G62 PolarHBondContact N-O 3.24Å; V10-G62 PolarHBondContact O-N 2.96Å; V10-F64 HydrophobicContact CG1-CD2 4.03Å; V10-F64 HydrophobicContact CG1-CE2 4.44Å; V10-F64 HydrophobicContact CG2-CD2 3.82Å; V10-F64 HydrophobicContact CG2-CE2 3.52Å |
| 11 | K | 94.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 23% | 0.226 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 144.5 | 172.1 | 178.6 | 179 | 169.7 | 173.5 | 0 | 110 | M13 E56 D87 V89 | K11-M13 HydrophobicContact CB-CG 4.01Å; K11-M13 HydrophobicContact CB-SD 4.3Å; K11-M13 HydrophobicContact CD-CG 4.11Å; K11-M13 HydrophobicContact CD-SD 4.35Å; K11-M13 HydrophobicContact CG-CG 3.86Å; K11-M13 WeakPolarHBondContact O-CG 3.47Å; K11-M13 PolarHBondContact O-N 2.79Å; K11-M13 VanDerWaalsContact O-N 3.14Å; K11-E56 WeakPolarHBondContact CE-OE1 3.3Å; K11-E56 VanDerWaalsContact CE-OE2 3.31Å; K11-E56 WeakPolarHBondContact CE-OE2 3.47Å; K11-E56 IonicContact NZ-OE1 3.65Å; K11-E56 PolarHBondContact NZ-OE1 2.8Å; K11-E56 IonicContact NZ-OE2 3.74Å; K11-E56 PolarHBondContact NZ-OE2 2.91Å; K11-D87 PolarHBondContact N-O 3.03Å; K11-V89 HydrophobicContact CB-CG2 4.17Å |
| 12 | A | 92.1 | Very high | 93.5 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -67.6 | 110.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E44 R60 | A12-E44 HydrophobicContact CB-CG 4.49Å; A12-E44 WeakPolarHBondContact CB-OE1 3.14Å; A12-R60 HydrophobicContact CB-CB 4.05Å |
| 13 | M | 91.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | trans | -139.1 | 173.6 | -170.2 | -68.9 | -168.2 | -59 | 0 | 0 | 111 | K11 E17 D87 | K11-M13 HydrophobicContact CB-CG 4.01Å; K11-M13 HydrophobicContact CB-SD 4.3Å; K11-M13 HydrophobicContact CD-CG 4.11Å; K11-M13 HydrophobicContact CD-SD 4.35Å; K11-M13 HydrophobicContact CG-CG 3.86Å; K11-M13 WeakPolarHBondContact O-CG 3.47Å; K11-M13 PolarHBondContact O-N 2.79Å; K11-M13 VanDerWaalsContact O-N 3.14Å; M13-E17 HydrophobicContact CB-CB 4.07Å; M13-E17 WeakPolarHBondContact CB-OE2 3.5Å; M13-E17 HydrophobicContact CE-CB 4.31Å; M13-E17 HydrophobicContact SD-CB 4.19Å; M13-D87 HydrophobicContact CE-CB 3.82Å; M13-D87 HydrophobicContact SD-CB 4.12Å | ||
| 14 | Q | 93.3 | Very high | 93.9 | Very high | 133 Ų | 133 | 58.4 Ų | 58.4 | 62% | 0.621 | 28% | 0.284 | S | S | * | . | trans | -68.3 | 155.6 | 173.3 | -63.8 | -63.6 | -37.5 | 0 | 0 | 110.8 | P16 E17 T18 | Q14-P16 HydrophobicContact CB-CG 4.16Å; Q14-E17 HydrophobicContact CB-CG 4.48Å; Q14-E17 PolarHBondContact N-OE2 3.2Å; Q14-E17 PolarHBondContact O-N 2.71Å; Q14-T18 PolarHBondContact O-N 3.18Å; Q14-T18 PolarHBondContact O-OG1 2.94Å | ||
| 15 | R | 91.2 | Very high | 93.9 | Very high | 219 Ų | 219 | 57.1 Ų | 57.1 | 83% | 0.826 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -50.7 | -46.2 | 176.7 | -73.8 | -174.1 | 171.6 | -173 | -2.3 | 114.5 | E17 T18 A19 | R15-E17 PolarHBondContact O-N 2.7Å; R15-T18 PolarHBondContact O-N 3Å; R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 2.98Å |
| 16 | P | 95.1 | Very high | 93.9 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 179 | 23.2 | -35.3 | 0 | 0 | 0 | 113.3 | Q14 A19 A20 | Q14-P16 HydrophobicContact CB-CG 4.16Å; P16-A19 PolarHBondContact O-N 2.53Å; P16-A20 WeakPolarHBondContact O-CB 3.49Å; P16-A20 PolarHBondContact O-N 2.88Å |
| 17 | E | 93.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 178.5 | -64.4 | 168.5 | 166.6 | 0 | 0 | 110.6 | M13 Q14 R15 A19 A20 L21 | M13-E17 HydrophobicContact CB-CB 4.07Å; M13-E17 WeakPolarHBondContact CB-OE2 3.5Å; M13-E17 HydrophobicContact CE-CB 4.31Å; M13-E17 HydrophobicContact SD-CB 4.19Å; Q14-E17 HydrophobicContact CB-CG 4.48Å; Q14-E17 PolarHBondContact N-OE2 3.2Å; Q14-E17 PolarHBondContact O-N 2.71Å; R15-E17 PolarHBondContact O-N 2.7Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-A19 PolarHBondContact O-N 3.26Å; E17-A20 WeakPolarHBondContact O-CB 3.31Å; E17-A20 PolarHBondContact O-N 3.09Å; E17-L21 PolarHBondContact O-N 3.11Å |
| 18 | T | 93.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 14% | 0.135 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.7 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | V10 Q14 R15 A20 L21 L22 F64 | V10-T18 HydrophobicContact CG2-CG2 4.47Å; Q14-T18 PolarHBondContact O-N 3.18Å; Q14-T18 PolarHBondContact O-OG1 2.94Å; R15-T18 PolarHBondContact O-N 3Å; T18-A20 VanDerWaalsContact C-N 3.32Å; T18-A20 PolarHBondContact O-N 2.77Å; T18-L21 PolarHBondContact O-N 3.21Å; T18-L22 HydrophobicContact CG2-CD1 4.28Å; T18-L22 WeakPolarHBondContact O-CG 3.38Å; T18-L22 PolarHBondContact O-N 2.74Å; T18-F64 HydrophobicContact CG2-CE2 3.8Å; T18-F64 HydrophobicContact CG2-CZ 3.65Å |
| 19 | A | 93.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 61 Ų | 61 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R15 P16 E17 L22 R23 | R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 2.98Å; P16-A19 PolarHBondContact O-N 2.53Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-A19 PolarHBondContact O-N 3.26Å; A19-L22 PolarHBondContact O-N 2.92Å; A19-R23 WeakPolarHBondContact O-CB 3.37Å; A19-R23 VanDerWaalsContact O-CG 3.28Å; A19-R23 WeakPolarHBondContact O-CG 2.98Å; A19-R23 PolarHBondContact O-N 3.13Å |
| 20 | A | 95.3 | Very high | 93.5 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P16 E17 T18 R23 R24 | P16-A20 WeakPolarHBondContact O-CB 3.49Å; P16-A20 PolarHBondContact O-N 2.88Å; E17-A20 WeakPolarHBondContact O-CB 3.31Å; E17-A20 PolarHBondContact O-N 3.09Å; T18-A20 VanDerWaalsContact C-N 3.32Å; T18-A20 PolarHBondContact O-N 2.77Å; A20-R23 PolarHBondContact O-N 2.8Å; A20-R24 VanDerWaalsContact O-CG 3.28Å; A20-R24 WeakPolarHBondContact O-CG 3.49Å; A20-R24 PolarHBondContact O-N 3.28Å |
| 21 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 174.9 | 168.7 | 132.2 | 0 | 0 | 0 | 112.1 | L8 V10 E17 T18 R23 R24 T25 D87 V88 | L8-L21 HydrophobicContact CD2-CD2 3.94Å; V10-L21 HydrophobicContact CB-CD2 4.2Å; V10-L21 HydrophobicContact CG1-CD2 3.37Å; E17-L21 PolarHBondContact O-N 3.11Å; T18-L21 PolarHBondContact O-N 3.21Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 2.88Å; L21-R24 PolarHBondContact O-N 3.11Å; L21-T25 WeakPolarHBondContact O-CB 3.15Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 2.89Å; L21-D87 HydrophobicContact CD1-CB 3.24Å; L21-V88 HydrophobicContact CD1-CG2 3.86Å |
| 22 | L | 93.7 | Very high | 93.2 | Very high | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 179.3 | -69.7 | 174 | 0 | 0 | 0 | 111.1 | L8 T18 A19 T25 V26 L39 F64 | L8-L22 HydrophobicContact CD2-CD2 4.3Å; T18-L22 HydrophobicContact CG2-CD1 4.28Å; T18-L22 WeakPolarHBondContact O-CG 3.38Å; T18-L22 PolarHBondContact O-N 2.74Å; A19-L22 PolarHBondContact O-N 2.92Å; L22-T25 PolarHBondContact O-N 2.84Å; L22-V26 WeakPolarHBondContact O-CB 3.49Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 2.66Å; L22-L39 HydrophobicContact CB-CD1 4.41Å; L22-L39 HydrophobicContact CD1-CD1 4.36Å; L22-L39 HydrophobicContact CD2-CD1 4.23Å; L22-F64 HydrophobicContact CD1-CD1 3.99Å; L22-F64 HydrophobicContact CD1-CE1 3.72Å; L22-F64 HydrophobicContact CD1-CZ 4.09Å; L22-F64 HydrophobicContact CD2-CB 4.31Å; L22-F64 HydrophobicContact CD2-CD1 4.15Å; L22-F64 HydrophobicContact CD2-CD2 4.32Å; L22-F64 HydrophobicContact CD2-CG 3.99Å |
| 23 | R | 94.5 | Very high | 93.1 | Very high | 174 Ų | 174 | 75.1 Ų | 75.1 | 66% | 0.657 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.6 | -51.5 | 174.3 | -76.3 | 175.6 | -179.7 | -176.4 | -0.1 | 112 | A19 A20 L21 T25 V26 E27 | A19-R23 WeakPolarHBondContact O-CB 3.37Å; A19-R23 VanDerWaalsContact O-CG 3.28Å; A19-R23 WeakPolarHBondContact O-CG 2.98Å; A19-R23 PolarHBondContact O-N 3.13Å; A20-R23 PolarHBondContact O-N 2.8Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 2.88Å; R23-T25 VanDerWaalsContact C-N 3.27Å; R23-T25 PolarHBondContact O-N 2.84Å; R23-V26 PolarHBondContact O-N 2.91Å; R23-E27 WeakPolarHBondContact O-CB 3.38Å; R23-E27 WeakPolarHBondContact O-CG 3.49Å; R23-E27 PolarHBondContact O-N 3.27Å |
| 24 | R | 94.4 | Very high | 93.1 | Very high | 134 Ų | 134 | 73.9 Ų | 73.9 | 51% | 0.506 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.3 | -41 | 178.1 | -68.9 | 168.3 | -174.6 | 171.8 | 2.6 | 112.3 | A20 L21 T28 | A20-R24 VanDerWaalsContact O-CG 3.28Å; A20-R24 WeakPolarHBondContact O-CG 3.49Å; A20-R24 PolarHBondContact O-N 3.28Å; L21-R24 PolarHBondContact O-N 3.11Å; R24-T28 WeakPolarHBondContact O-CB 3.4Å; R24-T28 PolarHBondContact O-N 2.92Å; R24-T28 PolarHBondContact O-OG1 2.89Å |
| 25 | T | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L6 L21 L22 R23 T28 L29 I66 L82 | L6-T25 HydrophobicContact CD2-CG2 4.16Å; L21-T25 WeakPolarHBondContact O-CB 3.15Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 2.89Å; L22-T25 PolarHBondContact O-N 2.84Å; R23-T25 VanDerWaalsContact C-N 3.27Å; R23-T25 PolarHBondContact O-N 2.84Å; T25-T28 PolarHBondContact O-N 2.97Å; T25-L29 HydrophobicContact CG2-CD1 4.39Å; T25-L29 WeakPolarHBondContact O-CG 3.36Å; T25-L29 PolarHBondContact O-N 2.93Å; T25-I66 HydrophobicContact CG2-CD1 4.12Å; T25-L82 HydrophobicContact CG2-CD2 3.97Å |
| 26 | V | 93.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 178.9 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L22 R23 T28 L29 M30 V36 L39 | L22-V26 WeakPolarHBondContact O-CB 3.49Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 2.66Å; R23-V26 PolarHBondContact O-N 2.91Å; V26-T28 PolarHBondContact O-N 3.17Å; V26-L29 WeakPolarHBondContact O-CB 3.48Å; V26-L29 PolarHBondContact O-N 2.93Å; V26-M30 HydrophobicContact CG1-CG 4.43Å; V26-M30 HydrophobicContact CG1-SD 3.98Å; V26-M30 VanDerWaalsContact O-CG 3.31Å; V26-M30 WeakPolarHBondContact O-CG 3.44Å; V26-M30 PolarHBondContact O-N 2.89Å; V26-V36 HydrophobicContact CG1-CG2 4.28Å; V26-L39 HydrophobicContact CG2-CD1 4.43Å |
| 27 | E | 94.2 | Very high | 93.1 | Very high | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.5 | -76.7 | 167.4 | -173.1 | 0 | 0 | 110.7 | R23 L29 M30 E31 | R23-E27 WeakPolarHBondContact O-CB 3.38Å; R23-E27 WeakPolarHBondContact O-CG 3.49Å; R23-E27 PolarHBondContact O-N 3.27Å; E27-L29 VanDerWaalsContact C-N 3.28Å; E27-L29 PolarHBondContact O-N 2.99Å; E27-M30 PolarHBondContact O-N 3.42Å; E27-E31 WeakPolarHBondContact O-CG 3.23Å; E27-E31 PolarHBondContact O-N 3.19Å |
| 28 | T | 92.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.086 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 178.3 | -57 | 0 | 0 | 0 | 0 | 112.5 | R24 T25 V26 R32 H81 | R24-T28 WeakPolarHBondContact O-CB 3.4Å; R24-T28 PolarHBondContact O-N 2.92Å; R24-T28 PolarHBondContact O-OG1 2.89Å; T25-T28 PolarHBondContact O-N 2.97Å; V26-T28 PolarHBondContact O-N 3.17Å; T28-R32 VanDerWaalsContact CG2-NE 3.29Å; T28-R32 WeakPolarHBondContact O-CD 3.27Å; T28-R32 VanDerWaalsContact O-CG 3.25Å; T28-R32 WeakPolarHBondContact O-CG 3.42Å; T28-R32 PolarHBondContact O-N 3.45Å; T28-H81 PolarHBondContact OG1-NE2 3.39Å |
| 29 | L | 92.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 172.9 | -80.2 | 167.7 | 0 | 0 | 0 | 110.9 | T25 V26 E27 R32 A34 V36 I66 F68 L78 | T25-L29 HydrophobicContact CG2-CD1 4.39Å; T25-L29 WeakPolarHBondContact O-CG 3.36Å; T25-L29 PolarHBondContact O-N 2.93Å; V26-L29 WeakPolarHBondContact O-CB 3.48Å; V26-L29 PolarHBondContact O-N 2.93Å; E27-L29 VanDerWaalsContact C-N 3.28Å; E27-L29 PolarHBondContact O-N 2.99Å; L29-R32 PolarHBondContact O-N 3.14Å; L29-A34 HydrophobicContact CB-CB 4.13Å; L29-A34 HydrophobicContact CD2-CB 4.08Å; L29-A34 WeakPolarHBondContact O-CB 3.43Å; L29-A34 PolarHBondContact O-N 3.48Å; L29-V36 HydrophobicContact CB-CG2 4.26Å; L29-V36 HydrophobicContact CD1-CG2 4.22Å; L29-I66 HydrophobicContact CD1-CG2 4.13Å; L29-F68 HydrophobicContact CD2-CD2 4.04Å; L29-F68 HydrophobicContact CD2-CE2 4.01Å; L29-F68 HydrophobicContact CD2-CG 4.37Å; L29-F68 HydrophobicContact CD2-CZ 4.34Å; L29-L78 HydrophobicContact CD2-CD1 3.67Å; L29-L78 HydrophobicContact CD2-CD2 3.44Å; L29-L78 VanDerWaalsContact CD2-CD2 3.44Å; L29-L78 HydrophobicContact CD2-CG 4.17Å; L29-L78 HydrophobicContact CG-CD1 4.02Å |
| 30 | M | 91.9 | Very high | 93.2 | Very high | 122 Ų | 122 | 69.1 Ų | 69.1 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | -178 | -67.3 | 179.7 | 80.4 | 0 | 0 | 112.5 | V26 E27 R32 G33 | V26-M30 HydrophobicContact CG1-CG 4.43Å; V26-M30 HydrophobicContact CG1-SD 3.98Å; V26-M30 VanDerWaalsContact O-CG 3.31Å; V26-M30 WeakPolarHBondContact O-CG 3.44Å; V26-M30 PolarHBondContact O-N 2.89Å; E27-M30 PolarHBondContact O-N 3.42Å; M30-R32 PolarHBondContact O-N 2.69Å; M30-G33 PolarHBondContact O-N 3.42Å |
| 31 | E | 92.7 | Very high | 93.2 | Very high | 158 Ų | 158 | 72.3 Ų | 72.3 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.3 | -32.1 | 176.3 | -75.2 | 176.6 | 176.4 | 0 | 0 | 112.7 | E27 G33 | E27-E31 WeakPolarHBondContact O-CG 3.23Å; E27-E31 PolarHBondContact O-N 3.19Å; E31-G33 VanDerWaalsContact C-N 3.26Å; E31-G33 PolarHBondContact O-N 2.85Å |
| 32 | R | 89.5 | Confident | 93.1 | Very high | 85 Ų | 85 | 75.5 Ų | 75.5 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.1 | 179.5 | -64.8 | 170.9 | -170.6 | -143.5 | 4 | 113.3 | T28 L29 M30 I74 G77 | T28-R32 VanDerWaalsContact CG2-NE 3.29Å; T28-R32 WeakPolarHBondContact O-CD 3.27Å; T28-R32 VanDerWaalsContact O-CG 3.25Å; T28-R32 WeakPolarHBondContact O-CG 3.42Å; T28-R32 PolarHBondContact O-N 3.45Å; L29-R32 PolarHBondContact O-N 3.14Å; M30-R32 PolarHBondContact O-N 2.69Å; R32-I74 HydrophobicContact CB-CB 4.49Å; R32-I74 HydrophobicContact CB-CD1 4.39Å; R32-G77 PolarHBondContact NH1-O 2.73Å |
| 33 | G | 89.6 | Confident | 93.1 | Very high | 49 Ų | 49 | 75.7 Ų | 75.7 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 22.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M30 E31 | M30-G33 PolarHBondContact O-N 3.42Å; E31-G33 VanDerWaalsContact C-N 3.26Å; E31-G33 PolarHBondContact O-N 2.85Å |
| 34 | A | 92.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 71.6 Ų | 71.6 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | trans | -82.5 | 145 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | L29 F68 H69 A70 I74 | L29-A34 HydrophobicContact CB-CB 4.13Å; L29-A34 HydrophobicContact CD2-CB 4.08Å; L29-A34 WeakPolarHBondContact O-CB 3.43Å; L29-A34 PolarHBondContact O-N 3.48Å; A34-F68 HydrophobicContact CB-CD2 4.02Å; A34-H69 CarbonylContact C-O 3.52Å; A34-H69 WeakPolarHBondContact CA-O 3.28Å; A34-H69 WeakPolarHBondContact CB-O 3.31Å; A34-A70 HydrophobicContact CB-CB 4.33Å; A34-I74 HydrophobicContact CB-CD1 3.98Å | ||
| 35 | V | 93.4 | Very high | 93 | Very high | 88 Ų | 88 | 71 Ų | 71 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.1 | 174.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | F68 H69 | V35-F68 CarbonylContact O-C 3.5Å; V35-F68 VanDerWaalsContact O-CA 3.26Å; V35-F68 WeakPolarHBondContact O-CA 3.46Å; V35-H69 HydrophobicContact CB-CB 4.42Å; V35-H69 PolarHBondContact N-O 3.22Å; V35-H69 PolarHBondContact O-N 3.49Å |
| 36 | V | 93.9 | Very high | 93.1 | Very high | 44 Ų | 44 | 77 Ų | 77 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.9 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | V26 L29 I66 F68 | V26-V36 HydrophobicContact CG1-CG2 4.28Å; L29-V36 HydrophobicContact CB-CG2 4.26Å; L29-V36 HydrophobicContact CD1-CG2 4.22Å; V36-I66 HydrophobicContact CG1-CG2 3.91Å; V36-F68 HydrophobicContact CG2-CB 4.4Å |
| 37 | R | 92.9 | Very high | 93.2 | Very high | 149 Ų | 149 | 76.2 Ų | 76.2 | 56% | 0.562 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -41 | 177.5 | -75 | -172.1 | 170.3 | -149.5 | -0.3 | 112.6 | D67 H69 | R37-D67 HydrophobicContact CB-CB 4.32Å; R37-D67 WeakPolarHBondContact CB-OD2 3.29Å; R37-D67 VanDerWaalsContact CD-OD2 3.26Å; R37-D67 WeakPolarHBondContact CD-OD2 3.48Å; R37-D67 PolarHBondContact N-O 3.26Å; R37-H69 PolarHBondContact NE-CD2 3.28Å; R37-H69 PolarHBondContact NE-NE2 3Å; R37-H69 PolarHBondContact NH2-NE2 3.26Å |
| 38 | G | 92.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 76.4 Ų | 76.4 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 153.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D67 | G38-D67 PolarHBondContact N-O 3.03Å; G38-D67 PolarHBondContact O-N 3.2Å |
| 39 | L | 94.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 82 Ų | 82 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.3 | 173.2 | -178.2 | 155.5 | 0 | 0 | 0 | 107.7 | L22 V26 F64 L65 I66 | L22-L39 HydrophobicContact CB-CD1 4.41Å; L22-L39 HydrophobicContact CD1-CD1 4.36Å; L22-L39 HydrophobicContact CD2-CD1 4.23Å; V26-L39 HydrophobicContact CG2-CD1 4.43Å; L39-F64 HydrophobicContact CD2-CD1 4.35Å; L39-L65 WeakPolarHBondContact CA-O 3.38Å; L39-I66 HydrophobicContact CD1-CD1 4.45Å; L39-I66 HydrophobicContact CD1-CG1 4.39Å; L39-I66 HydrophobicContact CG-CG1 4.33Å |
| 40 | E | 95.3 | Very high | 93.4 | Very high | 113 Ų | 113 | 87.7 Ų | 87.7 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139 | 178.7 | -171.4 | 176.9 | 177.8 | 0 | 0 | 110.3 | L42 F64 L65 | E40-L42 HydrophobicContact CG-CD2 4.37Å; E40-F64 WeakPolarHBondContact O-CA 3.48Å; E40-L65 HydrophobicContact CB-CB 4.26Å; E40-L65 PolarHBondContact N-O 3.01Å; E40-L65 PolarHBondContact O-N 3.44Å |
| 41 | N | 94.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 83 Ų | 83 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 111.4 | 177.1 | -179.5 | 3.8 | 0 | 0 | 0 | 109.6 | G43 F64 | N41-G43 VanDerWaalsContact C-N 3.26Å; N41-G43 WeakPolarHBondContact OD1-CA 3.49Å; N41-G43 PolarHBondContact OD1-N 3.39Å; N41-F64 HydrophobicContact CB-CD1 3.99Å; N41-F64 HydrophobicContact CB-CE1 3.72Å; N41-F64 VanDerWaalsContact CG-CE1 3.41Å; N41-F64 WeakPolarHBondContact OD1-CE1 3.5Å |
| 42 | L | 93.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 35% | 0.346 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -1.1 | 178.6 | -59.5 | 179.1 | 0 | 0 | 0 | 112.9 | E40 K45 Y63 L65 | E40-L42 HydrophobicContact CG-CD2 4.37Å; L42-K45 VanDerWaalsContact O-CE 3.3Å; L42-K45 WeakPolarHBondContact O-CE 3.43Å; L42-Y63 WeakPolarHBondContact CB-O 3.26Å; L42-Y63 PolarHBondContact N-O 2.99Å; L42-L65 HydrophobicContact CD1-CD1 3.92Å; L42-L65 HydrophobicContact CD1-CD2 4.19Å; L42-L65 HydrophobicContact CD1-CG 3.77Å; L42-L65 HydrophobicContact CD2-CD1 4.24Å; L42-L65 HydrophobicContact CG-CD1 4.3Å; L42-L65 HydrophobicContact CG-CG 4.18Å |
| 43 | G | 92.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 77.7 Ų | 77.7 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.3 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N41 Y63 | N41-G43 VanDerWaalsContact C-N 3.26Å; N41-G43 WeakPolarHBondContact OD1-CA 3.49Å; N41-G43 PolarHBondContact OD1-N 3.39Å; G43-Y63 PolarHBondContact O-N 3.42Å |
| 44 | E | 94 | Very high | 93.8 | Very high | 88 Ų | 88 | 78.9 Ų | 78.9 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 124.8 | 173.5 | -162 | -163.3 | 134.5 | 0 | 0 | 109.8 | A12 R60 G61 | A12-E44 HydrophobicContact CB-CG 4.49Å; A12-E44 WeakPolarHBondContact CB-OE1 3.14Å; E44-R60 IonicContact OE1-CZ 3.11Å; E44-R60 IonicContact OE1-NE 2.79Å; E44-R60 PolarHBondContact OE1-NE 3Å; E44-R60 IonicContact OE1-NH2 2.71Å; E44-R60 PolarHBondContact OE1-NH2 2.64Å; E44-R60 IonicContact OE2-NH2 3.79Å; E44-G61 WeakPolarHBondContact CA-O 3.41Å |
| 45 | K | 93.6 | Very high | 93.8 | Very high | 120 Ų | 120 | 87.2 Ų | 87.2 | 52% | 0.522 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.8 | -179.2 | -60.3 | 177.9 | -175.7 | 172.4 | 0 | 110.5 | L42 G61 Y63 | L42-K45 VanDerWaalsContact O-CE 3.3Å; L42-K45 WeakPolarHBondContact O-CE 3.43Å; K45-G61 PolarHBondContact N-O 2.84Å; K45-G61 PolarHBondContact O-N 3.01Å; K45-Y63 HydrophobicContact CB-CD2 4.13Å; K45-Y63 HydrophobicContact CB-CE2 3.81Å; K45-Y63 HydrophobicContact CG-CD2 4.49Å |
| 46 | L | 94.8 | Very high | 93.7 | Very high | 128 Ų | 128 | 87 Ų | 87 | 67% | 0.67 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 137.2 | 167.4 | -72.4 | 161.9 | 0 | 0 | 0 | 109.2 | R60 | L46-R60 HydrophobicContact CD2-CG 3.48Å; L46-R60 VanDerWaalsContact CD2-CG 3.48Å; L46-R60 HydrophobicContact CG-CG 4.28Å |
| 47 | L | 94.6 | Very high | 93.7 | Very high | 14 Ų | 14 | 92.5 Ų | 92.5 | 7% | 0.073 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 143 | 173.9 | -62.2 | 172.1 | 0 | 0 | 0 | 108.7 | I9 Y49 I51 H58 T59 Y63 | I9-L47 HydrophobicContact CG2-CD2 3.72Å; L47-Y49 VanDerWaalsContact CB-O 3.28Å; L47-Y49 WeakPolarHBondContact CB-O 3.33Å; L47-Y49 PolarHBondContact O-N 3.36Å; L47-Y49 VanDerWaalsContact O-N 3.12Å; L47-I51 HydrophobicContact CD1-CB 4.39Å; L47-I51 HydrophobicContact CD1-CD1 4.1Å; L47-I51 HydrophobicContact CD1-CG1 4.29Å; L47-I51 HydrophobicContact CD2-CD1 4.49Å; L47-H58 HydrophobicContact CD1-CB 3.82Å; L47-T59 PolarHBondContact N-O 3.33Å; L47-Y63 HydrophobicContact CD2-CE2 4.41Å |
| 48 | P | 94.6 | Very high | 93.8 | Very high | 113 Ų | 113 | 85.7 Ų | 85.7 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.1 | -28.5 | 178.6 | -24.8 | 33.5 | 0 | 0 | 0 | 113.1 | ||
| 49 | Y | 95.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 87.4 Ų | 87.4 | 51% | 0.51 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 164.1 | 174.6 | 60.5 | -88.3 | 0 | 0 | 0 | 110.3 | L47 I51 R90 | L47-Y49 VanDerWaalsContact CB-O 3.28Å; L47-Y49 WeakPolarHBondContact CB-O 3.33Å; L47-Y49 PolarHBondContact O-N 3.36Å; L47-Y49 VanDerWaalsContact O-N 3.12Å; Y49-I51 HydrophobicContact CD2-CG1 3.96Å; Y49-I51 HydrophobicContact CE2-CD1 4.27Å; Y49-I51 HydrophobicContact CE2-CG1 3.56Å; Y49-I51 PolarHBondContact O-N 2.94Å; Y49-R90 PolarHBondContact OH-NH1 2.83Å |
| 50 | K | 94 | Very high | 93.9 | Very high | 124 Ų | 124 | 89.3 Ų | 89.3 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.8 | 179.8 | -59.2 | -177.4 | 179.7 | 175.3 | 0 | 109.9 | R57 H58 T59 | K50-R57 HydrophobicContact CB-CG 4.38Å; K50-H58 WeakPolarHBondContact CA-O 3.43Å; K50-T59 HydrophobicContact CD-CG2 4.41Å; K50-T59 HydrophobicContact CG-CG2 4.17Å |
| 51 | I | 94.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 84 Ų | 84 | 12% | 0.118 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.3 | 177.3 | -61.4 | 175.2 | 0 | 0 | 0 | 108.2 | L47 Y49 R57 H58 V89 | L47-I51 HydrophobicContact CD1-CB 4.39Å; L47-I51 HydrophobicContact CD1-CD1 4.1Å; L47-I51 HydrophobicContact CD1-CG1 4.29Å; L47-I51 HydrophobicContact CD2-CD1 4.49Å; Y49-I51 HydrophobicContact CD2-CG1 3.96Å; Y49-I51 HydrophobicContact CE2-CD1 4.27Å; Y49-I51 HydrophobicContact CE2-CG1 3.56Å; Y49-I51 PolarHBondContact O-N 2.94Å; I51-R57 CarbonylContact O-C 3.58Å; I51-H58 PolarHBondContact N-O 2.78Å; I51-H58 VanDerWaalsContact N-O 3.11Å; I51-H58 PolarHBondContact O-N 3.05Å; I51-V89 HydrophobicContact CB-CG1 4.04Å; I51-V89 HydrophobicContact CD1-CG1 4.06Å; I51-V89 HydrophobicContact CG2-CG1 3.72Å |
| 52 | S | 93.7 | Very high | 93.9 | Very high | 90 Ų | 90 | 79.4 Ų | 79.4 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.6 | 171.9 | -50.6 | 0 | 0 | 0 | 0 | 108.4 | E56 | S52-E56 CarbonylContact C-O 3.55Å; S52-E56 VanDerWaalsContact CA-O 3.28Å; S52-E56 WeakPolarHBondContact CA-O 3.45Å |
| 53 | K | 92.3 | Very high | 94 | Very high | 43 Ų | 43 | 78.6 Ų | 78.6 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.1 | 178.4 | -160.1 | -178.1 | 173.5 | -137.8 | 0 | 108.6 | N55 E56 V88 V89 | K53-N55 PolarHBondContact O-N 2.97Å; K53-N55 VanDerWaalsContact O-N 3.11Å; K53-E56 PolarHBondContact N-O 3.06Å; K53-E56 PolarHBondContact O-N 2.8Å; K53-V88 PolarHBondContact NZ-O 2.96Å; K53-V89 WeakPolarHBondContact CD-O 3.38Å |
| 54 | H | 92.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 78 Ų | 78 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.9 | 179.5 | -55.8 | -63.7 | 0 | 0 | 0 | 114.3 | E56 E83 D85 I86 | H54-E56 PolarHBondContact O-N 2.97Å; H54-E83 PolarHBondContact CE1-O 2.99Å; H54-D85 PolarHBondContact NE2-O 3.36Å; H54-I86 PolarHBondContact CD2-O 3.43Å |
| 55 | N | 91.1 | Very high | 94.2 | Very high | 182 Ų | 182 | 75.4 Ų | 75.4 | 97% | 0.973 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 17.9 | -177.4 | -155.5 | 47.4 | 0 | 0 | 0 | 115 | K53 | K53-N55 PolarHBondContact O-N 2.97Å; K53-N55 VanDerWaalsContact O-N 3.11Å |
| 56 | E | 91.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 69.7 Ų | 69.7 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 149.3 | 175.2 | -168.7 | 178 | 158.1 | 0 | 0 | 110.8 | K11 S52 K53 H54 H58 | K11-E56 WeakPolarHBondContact CE-OE1 3.3Å; K11-E56 VanDerWaalsContact CE-OE2 3.31Å; K11-E56 WeakPolarHBondContact CE-OE2 3.47Å; K11-E56 IonicContact NZ-OE1 3.65Å; K11-E56 PolarHBondContact NZ-OE1 2.8Å; K11-E56 IonicContact NZ-OE2 3.74Å; K11-E56 PolarHBondContact NZ-OE2 2.91Å; S52-E56 CarbonylContact C-O 3.55Å; S52-E56 VanDerWaalsContact CA-O 3.28Å; S52-E56 WeakPolarHBondContact CA-O 3.45Å; K53-E56 PolarHBondContact N-O 3.06Å; K53-E56 PolarHBondContact O-N 2.8Å; H54-E56 PolarHBondContact O-N 2.97Å; E56-H58 IonicContact OE1-CE1 2.66Å; E56-H58 IonicContact OE1-ND1 3.85Å; E56-H58 IonicContact OE2-CE1 3.67Å |
| 57 | R | 93.8 | Very high | 94.3 | Very high | 160 Ų | 160 | 64.7 Ų | 64.7 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 109.6 | 177.2 | -167.1 | 174.7 | -169.2 | 179.2 | 5.4 | 110.2 | K50 I51 | K50-R57 HydrophobicContact CB-CG 4.38Å; I51-R57 CarbonylContact O-C 3.58Å |
| 58 | H | 94.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.7 | -178.7 | -50.8 | -71.9 | 0 | 0 | 0 | 111.3 | L47 K50 I51 E56 V89 | L47-H58 HydrophobicContact CD1-CB 3.82Å; K50-H58 WeakPolarHBondContact CA-O 3.43Å; I51-H58 PolarHBondContact N-O 2.78Å; I51-H58 VanDerWaalsContact N-O 3.11Å; I51-H58 PolarHBondContact O-N 3.05Å; E56-H58 IonicContact OE1-CE1 2.66Å; E56-H58 IonicContact OE1-ND1 3.85Å; E56-H58 IonicContact OE2-CE1 3.67Å; H58-V89 HydrophobicContact CB-CG1 4.3Å; H58-V89 HydrophobicContact CB-CG2 4.31Å |
| 59 | T | 95.3 | Very high | 94.1 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -23 | 172.8 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | L47 K50 | L47-T59 PolarHBondContact N-O 3.33Å; K50-T59 HydrophobicContact CD-CG2 4.41Å; K50-T59 HydrophobicContact CG-CG2 4.17Å |
| 60 | R | 94.7 | Very high | 94 | Very high | 123 Ų | 123 | 54 Ų | 54 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.2 | 179.3 | -69.8 | 174.7 | 63.2 | 155.8 | 1.5 | 109.2 | A12 E44 L46 | A12-R60 HydrophobicContact CB-CB 4.05Å; E44-R60 IonicContact OE1-CZ 3.11Å; E44-R60 IonicContact OE1-NE 2.79Å; E44-R60 PolarHBondContact OE1-NE 3Å; E44-R60 IonicContact OE1-NH2 2.71Å; E44-R60 PolarHBondContact OE1-NH2 2.64Å; E44-R60 IonicContact OE2-NH2 3.79Å; L46-R60 HydrophobicContact CD2-CG 3.48Å; L46-R60 VanDerWaalsContact CD2-CG 3.48Å; L46-R60 HydrophobicContact CG-CG 4.28Å |
| 61 | G | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 153.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V10 E44 K45 | V10-G61 CarbonylContact O-C 3.58Å; V10-G61 WeakPolarHBondContact O-CA 3.41Å; E44-G61 WeakPolarHBondContact CA-O 3.41Å; K45-G61 PolarHBondContact N-O 2.84Å; K45-G61 PolarHBondContact O-N 3.01Å |
| 62 | G | 95.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 134.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I9 V10 | I9-G62 WeakPolarHBondContact CA-O 3.28Å; V10-G62 PolarHBondContact N-O 3.24Å; V10-G62 PolarHBondContact O-N 2.96Å |
| 63 | Y | 95.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.7 | 177.4 | -70.7 | -99 | 0 | 0 | 0 | 109.6 | I9 L42 G43 K45 L47 | I9-Y63 HydrophobicContact CD1-CD1 4.37Å; I9-Y63 HydrophobicContact CD1-CE1 3.77Å; I9-Y63 HydrophobicContact CG1-CD1 4.06Å; I9-Y63 HydrophobicContact CG1-CE1 3.96Å; L42-Y63 WeakPolarHBondContact CB-O 3.26Å; L42-Y63 PolarHBondContact N-O 2.99Å; G43-Y63 PolarHBondContact O-N 3.42Å; K45-Y63 HydrophobicContact CB-CD2 4.13Å; K45-Y63 HydrophobicContact CB-CE2 3.81Å; K45-Y63 HydrophobicContact CG-CD2 4.49Å; L47-Y63 HydrophobicContact CD2-CE2 4.41Å |
| 64 | F | 95.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.9 | 177.9 | -66.2 | -85.2 | 0 | 0 | 0 | 110.1 | L8 V10 T18 L22 L39 E40 N41 | L8-F64 HydrophobicContact CB-CB 4.35Å; L8-F64 PolarHBondContact N-O 2.91Å; L8-F64 PolarHBondContact O-N 3.45Å; V10-F64 HydrophobicContact CG1-CD2 4.03Å; V10-F64 HydrophobicContact CG1-CE2 4.44Å; V10-F64 HydrophobicContact CG2-CD2 3.82Å; V10-F64 HydrophobicContact CG2-CE2 3.52Å; T18-F64 HydrophobicContact CG2-CE2 3.8Å; T18-F64 HydrophobicContact CG2-CZ 3.65Å; L22-F64 HydrophobicContact CD1-CD1 3.99Å; L22-F64 HydrophobicContact CD1-CE1 3.72Å; L22-F64 HydrophobicContact CD1-CZ 4.09Å; L22-F64 HydrophobicContact CD2-CB 4.31Å; L22-F64 HydrophobicContact CD2-CD1 4.15Å; L22-F64 HydrophobicContact CD2-CD2 4.32Å; L22-F64 HydrophobicContact CD2-CG 3.99Å; L39-F64 HydrophobicContact CD2-CD1 4.35Å; E40-F64 WeakPolarHBondContact O-CA 3.48Å; N41-F64 HydrophobicContact CB-CD1 3.99Å; N41-F64 HydrophobicContact CB-CE1 3.72Å; N41-F64 VanDerWaalsContact CG-CE1 3.41Å; N41-F64 WeakPolarHBondContact OD1-CE1 3.5Å |
| 65 | L | 95.3 | Very high | 93 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.1 | 170.5 | -59.2 | 178.3 | 0 | 0 | 0 | 108.6 | L6 A7 L39 E40 L42 | L6-L65 WeakPolarHBondContact O-CA 3.36Å; A7-L65 HydrophobicContact CB-CD2 3.83Å; L39-L65 WeakPolarHBondContact CA-O 3.38Å; E40-L65 HydrophobicContact CB-CB 4.26Å; E40-L65 PolarHBondContact N-O 3.01Å; E40-L65 PolarHBondContact O-N 3.44Å; L42-L65 HydrophobicContact CD1-CD1 3.92Å; L42-L65 HydrophobicContact CD1-CD2 4.19Å; L42-L65 HydrophobicContact CD1-CG 3.77Å; L42-L65 HydrophobicContact CD2-CD1 4.24Å; L42-L65 HydrophobicContact CG-CD1 4.3Å; L42-L65 HydrophobicContact CG-CG 4.18Å |
| 66 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.4 | 174.5 | -54.7 | 178.1 | 0 | 0 | 0 | 107.6 | E5 L6 T25 L29 V36 L39 | E5-I66 WeakPolarHBondContact CA-O 3.3Å; L6-I66 HydrophobicContact CB-CB 4.26Å; L6-I66 HydrophobicContact CD2-CD1 4.3Å; L6-I66 PolarHBondContact N-O 3.19Å; L6-I66 PolarHBondContact O-N 3.48Å; T25-I66 HydrophobicContact CG2-CD1 4.12Å; L29-I66 HydrophobicContact CD1-CG2 4.13Å; V36-I66 HydrophobicContact CG1-CG2 3.91Å; L39-I66 HydrophobicContact CD1-CD1 4.45Å; L39-I66 HydrophobicContact CD1-CG1 4.39Å; L39-I66 HydrophobicContact CG-CG1 4.33Å |
| 67 | D | 94 | Very high | 92.8 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127 | 176 | 179.2 | 31.6 | 0 | 0 | 0 | 109.5 | R3 R37 G38 | R3-D67 VanDerWaalsContact CG-OD1 3.31Å; R3-D67 WeakPolarHBondContact CG-OD1 3.26Å; R3-D67 IonicContact CZ-OD1 3.2Å; R3-D67 IonicContact CZ-OD2 3.27Å; R3-D67 VanDerWaalsContact NE-CG 3.29Å; R3-D67 IonicContact NE-OD1 3Å; R3-D67 PolarHBondContact NE-OD1 3.48Å; R3-D67 IonicContact NE-OD2 2.69Å; R3-D67 PolarHBondContact NE-OD2 2.87Å; R3-D67 IonicContact NH2-OD1 2.8Å; R3-D67 IonicContact NH2-OD2 2.64Å; R3-D67 PolarHBondContact NH2-OD2 3.48Å; R37-D67 HydrophobicContact CB-CB 4.32Å; R37-D67 WeakPolarHBondContact CB-OD2 3.29Å; R37-D67 VanDerWaalsContact CD-OD2 3.26Å; R37-D67 WeakPolarHBondContact CD-OD2 3.48Å; R37-D67 PolarHBondContact N-O 3.26Å; G38-D67 PolarHBondContact N-O 3.03Å; G38-D67 PolarHBondContact O-N 3.2Å |
| 68 | F | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.9 | -175.7 | 68.2 | -78.6 | 0 | 0 | 0 | 113.5 | Y4 L6 L29 A34 V35 V36 A70 L78 V93 | Y4-F68 VanDerWaalsContact CB-CZ 3.49Å; Y4-F68 HydrophobicContact CD2-CE2 4.26Å; Y4-F68 HydrophobicContact CG-CE2 4.43Å; Y4-F68 HydrophobicContact CG-CZ 4.3Å; Y4-F68 PolarHBondContact N-O 3.33Å; Y4-F68 PolarHBondContact O-N 3.11Å; Y4-F68 VanDerWaalsContact O-O 3.11Å; L6-F68 HydrophobicContact CB-CD1 4.35Å; L6-F68 HydrophobicContact CB-CE1 3.7Å; L29-F68 HydrophobicContact CD2-CD2 4.04Å; L29-F68 HydrophobicContact CD2-CE2 4.01Å; L29-F68 HydrophobicContact CD2-CG 4.37Å; L29-F68 HydrophobicContact CD2-CZ 4.34Å; A34-F68 HydrophobicContact CB-CD2 4.02Å; V35-F68 CarbonylContact O-C 3.5Å; V35-F68 VanDerWaalsContact O-CA 3.26Å; V35-F68 WeakPolarHBondContact O-CA 3.46Å; V36-F68 HydrophobicContact CG2-CB 4.4Å; F68-A70 HydrophobicContact CD2-CB 3.7Å; F68-A70 HydrophobicContact CE2-CB 3.54Å; F68-L78 HydrophobicContact CE2-CD2 4.36Å; F68-L78 HydrophobicContact CZ-CD2 4.01Å; F68-V93 HydrophobicContact CZ-CG1 4.49Å |
| 69 | H | 93 | Very high | 92.5 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.2 | 166.8 | -76.5 | -67.8 | 0 | 0 | 0 | 111.2 | M1 P2 A34 V35 R37 | M1-H69 HydrophobicContact CB-CB 4.35Å; M1-H69 PolarHBondContact O-ND1 3.37Å; P2-H69 PolarHBondContact O-ND1 3.5Å; P2-H69 VanDerWaalsContact O-ND1 3.1Å; A34-H69 CarbonylContact C-O 3.52Å; A34-H69 WeakPolarHBondContact CA-O 3.28Å; A34-H69 WeakPolarHBondContact CB-O 3.31Å; V35-H69 HydrophobicContact CB-CB 4.42Å; V35-H69 PolarHBondContact N-O 3.22Å; V35-H69 PolarHBondContact O-N 3.49Å; R37-H69 PolarHBondContact NE-CD2 3.28Å; R37-H69 PolarHBondContact NE-NE2 3Å; R37-H69 PolarHBondContact NH2-NE2 3.26Å |
| 70 | A | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -148.6 | 153.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P2 Y4 A34 F68 I74 | P2-A70 WeakPolarHBondContact CD-O 3.5Å; P2-A70 WeakPolarHBondContact CG-O 3.28Å; P2-A70 PolarHBondContact O-N 2.71Å; Y4-A70 HydrophobicContact CD2-CB 3.93Å; Y4-A70 HydrophobicContact CE2-CB 4.15Å; A34-A70 HydrophobicContact CB-CB 4.33Å; F68-A70 HydrophobicContact CD2-CB 3.7Å; F68-A70 HydrophobicContact CE2-CB 3.54Å; A70-I74 HydrophobicContact CB-CD1 3.38Å; A70-I74 HydrophobicContact CB-CG1 3.74Å | ||
| 71 | A | 91.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 34 Ų | 34 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | trans | -71.8 | 141.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G73 I74 | A71-G73 PolarHBondContact O-N 3.14Å; A71-G73 VanDerWaalsContact O-N 3.09Å; A71-I74 HydrophobicContact CB-CG2 4.42Å; A71-I74 WeakPolarHBondContact O-CG1 3.49Å; A71-I74 PolarHBondContact O-N 3.02Å; A71-I74 VanDerWaalsContact O-N 3.08Å | ||
| 72 | P | 88.2 | Confident | 92.1 | Very high | 84 Ų | 84 | 34 Ų | 34 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.1 | -29.1 | -177.3 | 21.4 | -31.5 | 0 | 0 | 0 | 113.4 | I74 V75 | P72-I74 VanDerWaalsContact C-N 3.25Å; P72-I74 PolarHBondContact O-N 3.21Å; P72-V75 PolarHBondContact O-N 3.17Å |
| 73 | G | 88.3 | Confident | 91.9 | Very high | 60 Ų | 60 | 39 Ų | 39 | 62% | 0.619 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.2 | -19 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A71 T76 | A71-G73 PolarHBondContact O-N 3.14Å; A71-G73 VanDerWaalsContact O-N 3.09Å; G73-T76 PolarHBondContact O-OG1 3.15Å |
| 74 | I | 88.5 | Confident | 91.7 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -90.2 | -15.8 | -178.9 | 82.8 | -171.7 | 0 | 0 | 0 | 112.8 | R32 A34 A70 A71 P72 L78 | R32-I74 HydrophobicContact CB-CB 4.49Å; R32-I74 HydrophobicContact CB-CD1 4.39Å; A34-I74 HydrophobicContact CB-CD1 3.98Å; A70-I74 HydrophobicContact CB-CD1 3.38Å; A70-I74 HydrophobicContact CB-CG1 3.74Å; A71-I74 HydrophobicContact CB-CG2 4.42Å; A71-I74 WeakPolarHBondContact O-CG1 3.49Å; A71-I74 PolarHBondContact O-N 3.02Å; A71-I74 VanDerWaalsContact O-N 3.08Å; P72-I74 VanDerWaalsContact C-N 3.25Å; P72-I74 PolarHBondContact O-N 3.21Å; I74-L78 WeakPolarHBondContact O-CB 3.45Å; I74-L78 PolarHBondContact O-N 2.79Å |
| 75 | V | 89.3 | Confident | 91.6 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | -174.2 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | Y4 P72 L78 L79 V93 | Y4-V75 HydrophobicContact CD2-CG2 4.27Å; Y4-V75 HydrophobicContact CE1-CG2 4.29Å; Y4-V75 HydrophobicContact CE2-CG2 3.87Å; P72-V75 PolarHBondContact O-N 3.17Å; V75-L78 WeakPolarHBondContact O-CB 3.28Å; V75-L78 PolarHBondContact O-N 3Å; V75-L79 HydrophobicContact CG1-CD1 4.23Å; V75-L79 WeakPolarHBondContact O-CG 3.32Å; V75-L79 PolarHBondContact O-N 3.32Å; V75-V93 HydrophobicContact CG1-CB 4.3Å; V75-V93 HydrophobicContact CG1-CG1 3.84Å; V75-V93 HydrophobicContact CG1-CG2 4.42Å |
| 76 | T | 89.6 | Confident | 91.5 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 58% | 0.577 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.7 | -51.1 | 178.1 | 49.1 | 0 | 0 | 0 | 0 | 111 | G73 L78 L79 D80 | G73-T76 PolarHBondContact O-OG1 3.15Å; T76-L78 PolarHBondContact O-N 3.1Å; T76-L79 PolarHBondContact O-N 3.38Å; T76-D80 PolarHBondContact O-N 2.85Å |
| 77 | G | 90.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 24% | 0.237 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R32 D80 H81 | R32-G77 PolarHBondContact NH1-O 2.73Å; G77-D80 PolarHBondContact O-N 2.91Å; G77-H81 PolarHBondContact O-N 2.93Å; G77-H81 VanDerWaalsContact O-N 3.14Å |
| 78 | L | 90.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | 178.4 | 174.7 | 70.8 | 0 | 0 | 0 | 110.6 | L29 F68 I74 V75 T76 D80 H81 L82 | L29-L78 HydrophobicContact CD2-CD1 3.67Å; L29-L78 HydrophobicContact CD2-CD2 3.44Å; L29-L78 VanDerWaalsContact CD2-CD2 3.44Å; L29-L78 HydrophobicContact CD2-CG 4.17Å; L29-L78 HydrophobicContact CG-CD1 4.02Å; F68-L78 HydrophobicContact CE2-CD2 4.36Å; F68-L78 HydrophobicContact CZ-CD2 4.01Å; I74-L78 WeakPolarHBondContact O-CB 3.45Å; I74-L78 PolarHBondContact O-N 2.79Å; V75-L78 WeakPolarHBondContact O-CB 3.28Å; V75-L78 PolarHBondContact O-N 3Å; T76-L78 PolarHBondContact O-N 3.1Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.39Å; L78-H81 WeakPolarHBondContact O-CB 3.47Å; L78-H81 PolarHBondContact O-N 3.31Å; L78-L82 HydrophobicContact CD1-CD1 4.24Å; L78-L82 HydrophobicContact CD1-CG 4.43Å; L78-L82 HydrophobicContact CG-CD1 4.02Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.28Å |
| 79 | L | 91.3 | Very high | 91.4 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 175.2 | -72.7 | 169.2 | 0 | 0 | 0 | 110.9 | V75 T76 H81 L82 E83 V93 | V75-L79 HydrophobicContact CG1-CD1 4.23Å; V75-L79 WeakPolarHBondContact O-CG 3.32Å; V75-L79 PolarHBondContact O-N 3.32Å; T76-L79 PolarHBondContact O-N 3.38Å; L79-H81 PolarHBondContact O-N 3.39Å; L79-L82 PolarHBondContact O-N 2.82Å; L79-L82 VanDerWaalsContact O-N 3.15Å; L79-E83 WeakPolarHBondContact O-CB 3.32Å; L79-E83 WeakPolarHBondContact O-CG 3.12Å; L79-E83 PolarHBondContact O-N 2.96Å; L79-V93 HydrophobicContact CD2-CB 4.35Å; L79-V93 HydrophobicContact CD2-CG2 3.66Å; L79-V93 HydrophobicContact CG-CG2 4.13Å |
| 80 | D | 92.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -33.9 | 177.3 | -65.9 | -22.9 | 0 | 0 | 0 | 113 | T76 G77 L78 R84 | T76-D80 PolarHBondContact O-N 2.85Å; G77-D80 PolarHBondContact O-N 2.91Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.39Å; D80-R84 WeakPolarHBondContact O-CD 3.38Å; D80-R84 VanDerWaalsContact O-CG 3.3Å; D80-R84 WeakPolarHBondContact O-CG 3.47Å; D80-R84 PolarHBondContact O-NE 2.98Å |
| 81 | H | 92.3 | Very high | 91.6 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 30% | 0.296 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.3 | -46.7 | 176.5 | 177.1 | 78.7 | 0 | 0 | 0 | 111.7 | T28 G77 L78 L79 E83 R84 D85 | T28-H81 PolarHBondContact OG1-NE2 3.39Å; G77-H81 PolarHBondContact O-N 2.93Å; G77-H81 VanDerWaalsContact O-N 3.14Å; L78-H81 WeakPolarHBondContact O-CB 3.47Å; L78-H81 PolarHBondContact O-N 3.31Å; L79-H81 PolarHBondContact O-N 3.39Å; H81-E83 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact O-N 3.5Å; H81-R84 PolarHBondContact O-N 3.27Å; H81-D85 PolarHBondContact O-N 3.01Å |
| 82 | L | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.7 | -27.3 | 179.4 | -66.4 | 172.2 | 0 | 0 | 0 | 112.9 | L6 L8 T25 L78 L79 R84 V88 P91 | L6-L82 HydrophobicContact CD1-CD1 3.78Å; L6-L82 HydrophobicContact CD2-CD1 3.82Å; L6-L82 HydrophobicContact CG-CD1 4.47Å; L8-L82 HydrophobicContact CD1-CD2 4.27Å; T25-L82 HydrophobicContact CG2-CD2 3.97Å; L78-L82 HydrophobicContact CD1-CD1 4.24Å; L78-L82 HydrophobicContact CD1-CG 4.43Å; L78-L82 HydrophobicContact CG-CD1 4.02Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.28Å; L79-L82 PolarHBondContact O-N 2.82Å; L79-L82 VanDerWaalsContact O-N 3.15Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-V88 HydrophobicContact CD2-CG2 4.36Å; L82-P91 HydrophobicContact CB-CB 3.79Å; L82-P91 HydrophobicContact CB-CG 3.96Å; L82-P91 HydrophobicContact CD1-CB 3.9Å; L82-P91 HydrophobicContact CG-CB 4.48Å |
| 83 | E | 91.6 | Very high | 91.9 | Very high | 112 Ų | 112 | 53.5 Ų | 53.5 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.8 | -29.3 | 174.8 | -78.8 | -173.7 | 175.7 | 0 | 0 | 112.8 | H54 L79 H81 P91 | H54-E83 PolarHBondContact CE1-O 2.99Å; L79-E83 WeakPolarHBondContact O-CB 3.32Å; L79-E83 WeakPolarHBondContact O-CG 3.12Å; L79-E83 PolarHBondContact O-N 2.96Å; H81-E83 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact O-N 3.5Å; E83-P91 HydrophobicContact CG-CG 4.33Å |
| 84 | R | 92.4 | Very high | 92.1 | Very high | 200 Ų | 200 | 54.4 Ų | 54.4 | 76% | 0.755 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -83.8 | -19.4 | 177.8 | -66.3 | 172.1 | -166.4 | -169.2 | 3.8 | 113.3 | D80 H81 L82 I86 | D80-R84 WeakPolarHBondContact O-CD 3.38Å; D80-R84 VanDerWaalsContact O-CG 3.3Å; D80-R84 WeakPolarHBondContact O-CG 3.47Å; D80-R84 PolarHBondContact O-NE 2.98Å; H81-R84 PolarHBondContact O-N 3.27Å; L82-R84 VanDerWaalsContact C-N 3.31Å; R84-I86 PolarHBondContact O-N 3.44Å |
| 85 | D | 93.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | trans | -71.9 | 120 | 178.6 | -167.3 | -19.4 | 0 | 0 | 0 | 110.8 | H54 H81 D87 V88 | H54-D85 PolarHBondContact NE2-O 3.36Å; H81-D85 PolarHBondContact O-N 3.01Å; D85-D87 PolarHBondContact O-N 3.01Å; D85-D87 PolarHBondContact OD1-N 2.79Å; D85-V88 HydrophobicContact CB-CB 4.31Å; D85-V88 HydrophobicContact CB-CG2 3.85Å; D85-V88 PolarHBondContact O-N 3.2Å | ||
| 86 | I | 92.1 | Very high | 91.9 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 55% | 0.554 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.3 | -177 | 57.7 | 171.8 | 0 | 0 | 0 | 113.1 | H54 R84 V88 | H54-I86 PolarHBondContact CD2-O 3.43Å; R84-I86 PolarHBondContact O-N 3.44Å; I86-V88 VanDerWaalsContact C-N 3.32Å |
| 87 | D | 93.5 | Very high | 91.1 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -11 | -175.1 | -65.7 | -32.1 | 0 | 0 | 0 | 111.4 | K11 M13 L21 D85 | K11-D87 PolarHBondContact N-O 3.03Å; M13-D87 HydrophobicContact CE-CB 3.82Å; M13-D87 HydrophobicContact SD-CB 4.12Å; L21-D87 HydrophobicContact CD1-CB 3.24Å; D85-D87 PolarHBondContact O-N 3.01Å; D85-D87 PolarHBondContact OD1-N 2.79Å |
| 88 | V | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.8 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 110 | L8 L21 K53 L82 D85 I86 P91 | L8-V88 HydrophobicContact CD1-CG1 3.76Å; L8-V88 HydrophobicContact CD1-CG2 4.13Å; L21-V88 HydrophobicContact CD1-CG2 3.86Å; K53-V88 PolarHBondContact NZ-O 2.96Å; L82-V88 HydrophobicContact CD2-CG2 4.36Å; D85-V88 HydrophobicContact CB-CB 4.31Å; D85-V88 HydrophobicContact CB-CG2 3.85Å; D85-V88 PolarHBondContact O-N 3.2Å; I86-V88 VanDerWaalsContact C-N 3.32Å; V88-P91 HydrophobicContact CG1-CB 4.19Å; V88-P91 HydrophobicContact CG1-CG 4.25Å |
| 89 | V | 94.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -41.8 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 111 | I9 K11 I51 K53 H58 | I9-V89 HydrophobicContact CB-CB 4.5Å; I9-V89 HydrophobicContact CG2-CB 4.1Å; I9-V89 HydrophobicContact CG2-CG1 4.44Å; I9-V89 WeakPolarHBondContact O-CA 3.18Å; I9-V89 WeakPolarHBondContact O-CB 3.31Å; I9-V89 PolarHBondContact O-N 3.48Å; K11-V89 HydrophobicContact CB-CG2 4.17Å; I51-V89 HydrophobicContact CB-CG1 4.04Å; I51-V89 HydrophobicContact CD1-CG1 4.06Å; I51-V89 HydrophobicContact CG2-CG1 3.72Å; K53-V89 WeakPolarHBondContact CD-O 3.38Å; H58-V89 HydrophobicContact CB-CG1 4.3Å; H58-V89 HydrophobicContact CB-CG2 4.31Å |
| 90 | R | 93.4 | Very high | 87.2 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 112.9 | 178.3 | -170.5 | 175.5 | -177 | 163.5 | 2.3 | 111.1 | I9 Y49 | I9-R90 HydrophobicContact CB-CB 4.11Å; I9-R90 HydrophobicContact CD1-CB 4.16Å; I9-R90 HydrophobicContact CG1-CB 4.33Å; I9-R90 PolarHBondContact N-O 3.09Å; I9-R90 PolarHBondContact O-N 3.08Å; I9-R90 VanDerWaalsContact O-N 3.11Å; Y49-R90 PolarHBondContact OH-NH1 2.83Å |
| 91 | P | 94.3 | Very high | 85.6 | Confident | 21 Ų | 21 | 76 Ų | 76 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.4 | 166.5 | 33.3 | -28.8 | 0 | 0 | 0 | 110 | L6 L8 L82 E83 V88 | L6-P91 HydrophobicContact CD1-CB 4.46Å; L8-P91 HydrophobicContact CD1-CB 4.42Å; L82-P91 HydrophobicContact CB-CB 3.79Å; L82-P91 HydrophobicContact CB-CG 3.96Å; L82-P91 HydrophobicContact CD1-CB 3.9Å; L82-P91 HydrophobicContact CG-CB 4.48Å; E83-P91 HydrophobicContact CG-CG 4.33Å; V88-P91 HydrophobicContact CG1-CB 4.19Å; V88-P91 HydrophobicContact CG1-CG 4.25Å |
| 92 | T | 93.9 | Very high | 84.3 | Confident | 50 Ų | 50 | 80 Ų | 80 | 31% | 0.307 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 120.5 | 171.3 | -55.4 | 0 | 0 | 0 | 0 | 108.9 | L6 A7 L94 | L6-T92 WeakPolarHBondContact CA-O 3.33Å; A7-T92 PolarHBondContact N-O 2.97Å; A7-T92 PolarHBondContact O-N 2.71Å; T92-L94 HydrophobicContact CG2-CD1 4.02Å; T92-L94 HydrophobicContact CG2-CG 4.24Å |
| 93 | V | 93 | Very high | 83 | Confident | 34 Ų | 34 | 82 Ų | 82 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.6 | 174.2 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | Y4 E5 L6 F68 V75 L79 | Y4-V93 HydrophobicContact CD1-CG1 3.97Å; Y4-V93 HydrophobicContact CG-CG1 4.35Å; E5-V93 CarbonylContact O-C 3.52Å; E5-V93 WeakPolarHBondContact O-CA 3.39Å; L6-V93 HydrophobicContact CD1-CG2 3.72Å; F68-V93 HydrophobicContact CZ-CG1 4.49Å; V75-V93 HydrophobicContact CG1-CB 4.3Å; V75-V93 HydrophobicContact CG1-CG1 3.84Å; V75-V93 HydrophobicContact CG1-CG2 4.42Å; L79-V93 HydrophobicContact CD2-CB 4.35Å; L79-V93 HydrophobicContact CD2-CG2 3.66Å; L79-V93 HydrophobicContact CG-CG2 4.13Å |
| 94 | L | 92.1 | Very high | 81.9 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 42% | 0.419 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145.2 | 175.9 | -60.1 | 113.7 | 0 | 0 | 0 | 109.2 | Y4 E5 A7 T92 | Y4-L94 CarbonylContact C-O 3.59Å; Y4-L94 VanDerWaalsContact CA-O 3.27Å; Y4-L94 WeakPolarHBondContact CA-O 3.25Å; E5-L94 HydrophobicContact CB-CB 4.43Å; E5-L94 PolarHBondContact N-O 3.3Å; E5-L94 PolarHBondContact O-N 3.33Å; A7-L94 HydrophobicContact CB-CD1 3.98Å; T92-L94 HydrophobicContact CG2-CD1 4.02Å; T92-L94 HydrophobicContact CG2-CG 4.24Å |
| 95 | K | 89.8 | Confident | 80.7 | Confident | 122 Ų | 122 | 78 Ų | 78 | 53% | 0.53 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.7 | 170.1 | -170.9 | -175.9 | 178.3 | -134.9 | 0 | 107.6 | Y4 D97 | Y4-K95 HydrophobicContact CD1-CB 4.33Å; Y4-K95 HydrophobicContact CE1-CB 4.28Å; Y4-K95 HydrophobicContact CE1-CG 4.25Å; K95-D97 VanDerWaalsContact C-N 3.35Å; K95-D97 VanDerWaalsContact CE-OD1 3.23Å; K95-D97 WeakPolarHBondContact CE-OD1 3.35Å; K95-D97 IonicContact NZ-OD1 3.8Å; K95-D97 PolarHBondContact NZ-OD1 3.03Å; K95-D97 IonicContact NZ-OD2 3.82Å; K95-D97 PolarHBondContact O-N 3.22Å; K95-D97 VanDerWaalsContact O-N 3.13Å |
| 96 | N | 83.7 | Confident | 79.6 | Confident | 40 Ų | 40 | 83.7 Ų | 83.7 | 21% | 0.214 | 49% | 0.485 | C | S | . | . | trans | -83.6 | 88.1 | 171.5 | -98.1 | -8.4 | 0 | 0 | 0 | 107.6 | R3 E5 | R3-N96 HydrophobicContact CB-CB 4.09Å; R3-N96 HydrophobicContact CG-CB 3.86Å; R3-N96 PolarHBondContact O-N 3.41Å; E5-N96 PolarHBondContact OE2-ND2 3.12Å; E5-N96 PolarHBondContact OE2-OD1 3.47Å | ||
| 97 | D | 73.3 | Confident | 78 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | trans | -65.7 | 131.6 | 164.3 | -73.2 | -45.9 | 0 | 0 | 0 | 107.5 | K95 E99 | K95-D97 VanDerWaalsContact C-N 3.35Å; K95-D97 VanDerWaalsContact CE-OD1 3.23Å; K95-D97 WeakPolarHBondContact CE-OD1 3.35Å; K95-D97 IonicContact NZ-OD1 3.8Å; K95-D97 PolarHBondContact NZ-OD1 3.03Å; K95-D97 IonicContact NZ-OD2 3.82Å; K95-D97 PolarHBondContact O-N 3.22Å; K95-D97 VanDerWaalsContact O-N 3.13Å; D97-E99 PolarHBondContact O-N 3.46Å | ||
| 98 | P | 67.4 | Low | 76.2 | Confident | 112 Ų | 112 | 88 Ų | 88 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | trans | -54.3 | 129.8 | 171.8 | 25.2 | -31.8 | 0 | 0 | 0 | 106.7 | P100 | P98-P100 VanDerWaalsContact O-N 3.15Š| ||
| 99 | E | 63.1 | Low | 74.2 | Confident | 159 Ų | 159 | 94 Ų | 94 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | trans | -45.7 | 129.7 | 177.5 | -63.7 | -158.8 | 161.6 | 0 | 0 | 107.8 | D97 S101 | D97-E99 PolarHBondContact O-N 3.46Å; E99-S101 PolarHBondContact O-N 3.37Å | ||
| 100 | P | 59.4 | Low | 72.5 | Confident | 115 Ų | 115 | 99.9 Ų | 99.9 | 75% | 0.747 | 59% | 0.594 | S | S | * | * | trans | -52.3 | 120.6 | 173.7 | 23 | -31 | 0 | 0 | 0 | 105.1 | P98 N102 | P98-P100 VanDerWaalsContact O-N 3.15Å; P100-N102 PolarHBondContact O-N 2.98Å | ||
| 101 | S | 59.3 | Low | 70.5 | Confident | 110 Ų | 110 | 98.8 Ų | 98.8 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | trans | -37 | 119.9 | 176.6 | 53.8 | 0 | 0 | 0 | 0 | 106.4 | E99 G103 | E99-S101 PolarHBondContact O-N 3.37Å; S101-G103 PolarHBondContact O-N 2.78Å | ||
| 102 | N | 63.2 | Low | 68.5 | Low | 147 Ų | 147 | 102.8 Ų | 102.8 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | trans | -49.8 | 83.6 | -177.5 | -82.8 | -46.5 | 0 | 0 | 0 | 108.9 | P100 | P100-N102 PolarHBondContact O-N 2.98Š| ||
| 103 | G | 66.4 | Low | 65.9 | Low | 43 Ų | 43 | 110.3 Ų | 110.3 | 44% | 0.443 | 67% | 0.666 | S | S | . | * | trans | -68.7 | 145.6 | 174 | 0 | 0 | 0 | 0 | 0 | 104 | S101 C105 | S101-G103 PolarHBondContact O-N 2.78Å; G103-C105 VanDerWaalsContact C-N 3.3Å; G103-C105 PolarHBondContact O-N 3.23Å | ||
| 104 | P | 68.2 | Low | 63.6 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | trans | -56.7 | 101.8 | 175.2 | 22.6 | -30.6 | 0 | 0 | 0 | 108.1 | C106 | P104-C106 PolarHBondContact O-N 2.88Š| ||
| 105 | C | 66.8 | Low | 61.3 | Low | 109 Ų | 109 | 121.6 Ų | 121.6 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | -55.9 | 125.9 | 161.4 | -79.1 | 0 | 0 | 0 | 0 | 105.1 | G103 G107 H108 | G103-C105 VanDerWaalsContact C-N 3.3Å; G103-C105 PolarHBondContact O-N 3.23Å; C105-G107 VanDerWaalsContact C-N 3.31Å; C105-G107 PolarHBondContact O-N 2.96Å; C105-H108 PolarHBondContact O-N 3.07Å | ||
| 106 | C | 69.4 | Low | 58.9 | Low | 143 Ų | 143 | 123.3 Ų | 123.3 | 97% | 0.966 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 92.2 | -176.7 | -48.5 | 0 | 0 | 0 | 0 | 109.5 | P104 | P104-C106 PolarHBondContact O-N 2.88Š|
| 107 | G | 59.1 | Low | 57.1 | Low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.1 | -11.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | C105 | C105-G107 VanDerWaalsContact C-N 3.31Å; C105-G107 PolarHBondContact O-N 2.96Å |
| 108 | H | 55.9 | Low | 55.9 | Low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -131.9 | 123.7 | 179.1 | -84.4 | -16.4 | 0 | 0 | 0 | 114.2 | C105 V110 | C105-H108 PolarHBondContact O-N 3.07Å; H108-V110 PolarHBondContact O-N 3.19Å | ||
| 109 | P | 53.2 | Low | 55.4 | Low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -72.3 | 113 | 168.7 | 28.9 | -29.2 | 0 | 0 | 0 | 108.8 | A111 | P109-A111 PolarHBondContact O-N 2.81Š| ||
| 110 | V | 57.7 | Low | 55 | Low | 127 Ų | 127 | 132.2 Ų | 132.2 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -73.7 | 106.9 | 170.3 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | H108 S112 | H108-V110 PolarHBondContact O-N 3.19Å; V110-S112 PolarHBondContact O-N 3.45Å; V110-S112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | A | 51.9 | Low | 54.7 | Low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 104.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | P109 K113 | P109-A111 PolarHBondContact O-N 2.81Å; A111-K113 PolarHBondContact O-N 3Å | ||
| 112 | S | 51 | Low | 54.4 | Low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -61.9 | 113.4 | 169.5 | 52.2 | 0 | 0 | 0 | 0 | 109 | V110 H114 | V110-S112 PolarHBondContact O-N 3.45Å; V110-S112 VanDerWaalsContact O-N 3.09Å; S112-H114 PolarHBondContact O-N 3.23Å | ||
| 113 | K | 40.8 | Very low | 53.9 | Low | 208 Ų | 208 | 133.7 Ų | 133.7 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124.3 | 169.1 | -79.5 | -174.9 | 176 | -174.4 | 0 | 108.7 | A111 | A111-K113 PolarHBondContact O-N 3Š|
| 114 | H | 44.3 | Very low | 53.1 | Low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 140 | 175.6 | -89.6 | -91.7 | 0 | 0 | 0 | 112.2 | S112 D116 | S112-H114 PolarHBondContact O-N 3.23Å; H114-D116 PolarHBondContact O-N 2.85Å |
| 115 | Q | 43.9 | Very low | 52 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.2 | 156.3 | -112.2 | 114.2 | 0.9 | 0 | 0 | 109.2 | ||
| 116 | D | 38.8 | Very low | 50.8 | Low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -100.9 | 104.9 | 158.8 | -76.1 | -50.3 | 0 | 0 | 0 | 108.5 | H114 | H114-D116 PolarHBondContact O-N 2.85Š| ||
| 117 | T | 45.9 | Very low | 49.3 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -69.6 | 135.7 | 161.4 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 118 | V | 49.2 | Very low | 48.4 | Very low | 210 Ų | 210 | 150.8 Ų | 150.8 | 100% | 1.273 | 84% | 0.838 | S | S | * | * | trans | -135.6 | 0 | 143.8 | -176.6 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 118 of 118 residues in 365.4 ms
(Link to these results)