| 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 | F | 85 | Confident | 95.1 | Very high | 180 Ų | 180 | 66.6 Ų | 66.6 | 79% | 0.789 | 33% | 0.328 | S | S | * | . | 0 | 142.5 | 0 | -56.2 | -82.5 | 0 | 0 | 0 | 108.9 | F25 | F1-F25 PolarHBondContact N-O 2.73Å; F1-F25 WeakPolarHBondContact O-CD2 3.27Å; F1-F25 PolarHBondContact O-N 3.09Å | |||
| 2 | T | 91.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.4 | 176.4 | -60 | 0 | 0 | 0 | 0 | 108.4 | R4 T22 Q23 S24 | T2-R4 HydrophobicContact CG2-CG 4.32Å; T2-T22 HydrophobicContact CG2-CG2 3.56Å; T2-Q23 WeakPolarHBondContact CA-O 3.34Å; T2-S24 PolarHBondContact OG1-OG 3.17Å |
| 3 | S | 94.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 69.9 Ų | 69.9 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.7 | 175.4 | -62.4 | 0 | 0 | 0 | 0 | 108.7 | Q23 R112 | S3-Q23 PolarHBondContact N-O 2.86Å; S3-Q23 PolarHBondContact O-N 3.01Å; S3-R112 VanDerWaalsContact OG-CD 3.3Å; S3-R112 WeakPolarHBondContact OG-CD 3.48Å |
| 4 | R | 97.3 | Very high | 93.4 | Very high | 117 Ų | 117 | 80.6 Ų | 80.6 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.1 | -175.8 | -67.6 | -175.6 | -77.6 | -164.9 | -3.3 | 111.7 | T2 F21 T22 I111 A157 P158 | T2-R4 HydrophobicContact CG2-CG 4.32Å; R4-F21 CarbonylContact C-O 3.59Å; R4-F21 WeakPolarHBondContact CA-O 3.42Å; R4-T22 HydrophobicContact CG-CG2 4.13Å; R4-I111 VanDerWaalsContact C-CD1 3.49Å; R4-A157 HydrophobicContact CB-CB 3.83Å; R4-A157 PolarHBondContact O-N 3.44Å; R4-P158 PolarHBondContact NE-O 3.45Å; R4-P158 PolarHBondContact NH2-O 2.79Å; R4-P158 PolarHBondContact NH2-OXT 3.27Å |
| 5 | G | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 157.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I20 F21 G155 | G5-I20 WeakPolarHBondContact O-CA 3.28Å; G5-F21 PolarHBondContact N-O 3.01Å; G5-F21 PolarHBondContact O-N 2.98Å; G5-G155 CarbonylContact C-O 3.5Å; G5-G155 WeakPolarHBondContact CA-O 3.39Å |
| 6 | V | 98.8 | Very high | 94 | Very high | 33 Ų | 33 | 78.3 Ų | 78.3 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.4 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | E18 V19 I20 I154 G155 A157 | V6-E18 HydrophobicContact CG2-CB 4.28Å; V6-V19 CarbonylContact C-O 3.52Å; V6-V19 WeakPolarHBondContact CA-O 3.33Å; V6-I20 HydrophobicContact CB-CD1 3.75Å; V6-I20 HydrophobicContact CG2-CD1 3.57Å; V6-I154 CarbonylContact O-C 3.53Å; V6-I154 WeakPolarHBondContact O-CA 3.5Å; V6-G155 PolarHBondContact N-O 3.48Å; V6-G155 PolarHBondContact O-N 3.33Å; V6-A157 HydrophobicContact CB-CB 4.18Å; V6-A157 HydrophobicContact CG1-CB 3.99Å |
| 7 | A | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | F9 E18 V19 F21 L122 A152 I154 | A7-F9 HydrophobicContact CB-CE2 4.44Å; A7-E18 WeakPolarHBondContact O-CA 3.47Å; A7-V19 HydrophobicContact CB-CB 4.49Å; A7-V19 PolarHBondContact N-O 2.85Å; A7-V19 PolarHBondContact O-N 2.89Å; A7-F21 HydrophobicContact CB-CE2 4.18Å; A7-L122 HydrophobicContact CB-CB 3.92Å; A7-L122 HydrophobicContact CB-CD2 3.65Å; A7-L122 HydrophobicContact CB-CG 4.49Å; A7-A152 HydrophobicContact CB-CB 4.03Å; A7-I154 HydrophobicContact CB-CG1 4.2Å |
| 8 | Y | 98.4 | Very high | 94.5 | Very high | 150 Ų | 150 | 76 Ų | 76 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.2 | -179.3 | -178.3 | -100.8 | 0 | 0 | 0 | 110 | D10 E18 A152 | Y8-D10 HydrophobicContact CD1-CB 4.25Å; Y8-D10 HydrophobicContact CE1-CB 3.95Å; Y8-E18 HydrophobicContact CD2-CB 4.18Å; Y8-A152 VanDerWaalsContact O-CB 3.25Å; Y8-A152 WeakPolarHBondContact O-CB 3.11Å |
| 9 | F | 98.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 72 Ų | 72 | 2% | 0.022 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.9 | 173.7 | -63.7 | -93.6 | 0 | 0 | 0 | 108 | A7 G11 K16 G17 V19 L40 L122 I124 A150 A152 | A7-F9 HydrophobicContact CB-CE2 4.44Å; F9-G11 VanDerWaalsContact C-N 3.27Å; F9-G11 PolarHBondContact O-N 2.68Å; F9-K16 VanDerWaalsContact O-CA 3.25Å; F9-K16 WeakPolarHBondContact O-CA 2.97Å; F9-G17 PolarHBondContact N-O 3.04Å; F9-G17 PolarHBondContact O-N 3.18Å; F9-V19 HydrophobicContact CE2-CG2 3.99Å; F9-L40 HydrophobicContact CD2-CD2 3.55Å; F9-L40 HydrophobicContact CE2-CD2 4Å; F9-L40 HydrophobicContact CG-CD2 4.22Å; F9-L122 HydrophobicContact CE2-CD2 3.88Å; F9-L122 HydrophobicContact CZ-CB 4.48Å; F9-L122 HydrophobicContact CZ-CD2 3.94Å; F9-L122 HydrophobicContact CZ-CG 4.14Å; F9-I124 HydrophobicContact CD1-CD1 4.37Å; F9-I124 HydrophobicContact CE1-CD1 3.8Å; F9-I124 HydrophobicContact CE1-CG1 4.14Å; F9-I124 HydrophobicContact CE2-CD1 4.41Å; F9-I124 HydrophobicContact CZ-CD1 3.83Å; F9-I124 HydrophobicContact CZ-CG1 4.05Å; F9-A150 HydrophobicContact CD1-CB 3.76Å; F9-A150 HydrophobicContact CE1-CB 3.9Å; F9-A152 HydrophobicContact CD1-CB 4.07Å; F9-A152 HydrophobicContact CD2-CB 4.27Å; F9-A152 HydrophobicContact CE1-CB 4.07Å; F9-A152 HydrophobicContact CE2-CB 4.24Å; F9-A152 HydrophobicContact CG-CB 4.19Å; F9-A152 HydrophobicContact CZ-CB 4.15Å |
| 10 | D | 94.8 | Very high | 94.9 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -3.8 | -168.3 | 67.6 | -9.3 | 0 | 0 | 0 | 114.9 | Y8 S12 | Y8-D10 HydrophobicContact CD1-CB 4.25Å; Y8-D10 HydrophobicContact CE1-CB 3.95Å; D10-S12 WeakPolarHBondContact OD1-CB 3.27Å; D10-S12 PolarHBondContact OD1-N 2.81Å; D10-S12 PolarHBondContact OD1-OG 2.66Å |
| 11 | G | 91.5 | Very high | 95.1 | Very high | 26 Ų | 26 | 66.8 Ų | 66.8 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 96.4 | -0.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F9 N13 R14 I15 | F9-G11 VanDerWaalsContact C-N 3.27Å; F9-G11 PolarHBondContact O-N 2.68Å; G11-N13 PolarHBondContact O-N 2.87Å; G11-R14 WeakPolarHBondContact O-CA 3.44Å; G11-R14 PolarHBondContact O-N 3.22Å; G11-I15 WeakPolarHBondContact CA-O 3.35Å; G11-I15 PolarHBondContact N-O 2.86Å; G11-I15 VanDerWaalsContact N-O 3.12Å |
| 12 | S | 83.1 | Confident | 95.7 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -53.4 | 130.1 | 163.7 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | D10 R14 | D10-S12 WeakPolarHBondContact OD1-CB 3.27Å; D10-S12 PolarHBondContact OD1-N 2.81Å; D10-S12 PolarHBondContact OD1-OG 2.66Å; S12-R14 VanDerWaalsContact C-N 3.33Å; S12-R14 PolarHBondContact O-N 2.91Å |
| 13 | N | 85 | Confident | 95.9 | Very high | 113 Ų | 113 | 55.7 Ų | 55.7 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | 64 | 24.1 | -171.1 | -53.3 | -30 | 0 | 0 | 0 | 116.5 | G11 I15 I149 | G11-N13 PolarHBondContact O-N 2.87Å; N13-I15 PolarHBondContact O-N 2.98Å; N13-I149 PolarHBondContact ND2-O 3.34Å; N13-I149 VanDerWaalsContact ND2-O 3.17Å |
| 14 | R | 93.4 | Very high | 95.8 | Very high | 219 Ų | 219 | 57.3 Ų | 57.3 | 83% | 0.826 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 73.1 | -9 | -179.6 | -53.4 | 176.7 | -82.7 | 176.4 | -7.3 | 115.1 | G11 S12 | G11-R14 WeakPolarHBondContact O-CA 3.44Å; G11-R14 PolarHBondContact O-N 3.22Å; S12-R14 VanDerWaalsContact C-N 3.33Å; S12-R14 PolarHBondContact O-N 2.91Å |
| 15 | I | 97.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -88 | 117.3 | 178.4 | -64.4 | 168.8 | 0 | 0 | 0 | 109 | G11 N13 S41 G42 V43 I124 I149 A150 | G11-I15 WeakPolarHBondContact CA-O 3.35Å; G11-I15 PolarHBondContact N-O 2.86Å; G11-I15 VanDerWaalsContact N-O 3.12Å; N13-I15 PolarHBondContact O-N 2.98Å; I15-S41 WeakPolarHBondContact CA-O 3.47Å; I15-G42 WeakPolarHBondContact CG1-O 3.4Å; I15-V43 HydrophobicContact CD1-CG2 4.38Å; I15-V43 HydrophobicContact CG1-CG2 4.19Å; I15-V43 HydrophobicContact CG2-CG2 3.94Å; I15-I124 HydrophobicContact CG2-CD1 4.1Å; I15-I149 HydrophobicContact CD1-CB 4.14Å; I15-I149 HydrophobicContact CD1-CD1 3.69Å; I15-I149 HydrophobicContact CD1-CG1 3.75Å; I15-A150 HydrophobicContact CB-CB 3.88Å; I15-A150 HydrophobicContact CD1-CB 3.75Å; I15-A150 HydrophobicContact CG1-CB 4.4Å; I15-A150 HydrophobicContact CG2-CB 3.86Å | ||
| 16 | K | 98.1 | Very high | 94.6 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.3 | -179.9 | 67.7 | -177.4 | 179.3 | -179.9 | 0 | 112.3 | F9 L40 S41 | F9-K16 VanDerWaalsContact O-CA 3.25Å; F9-K16 WeakPolarHBondContact O-CA 2.97Å; K16-L40 CarbonylContact O-C 3.41Å; K16-L40 WeakPolarHBondContact O-CA 3.12Å; K16-S41 VanDerWaalsContact CE-OG 3.27Å; K16-S41 WeakPolarHBondContact CE-OG 3.35Å; K16-S41 WeakPolarHBondContact CG-OG 3.41Å; K16-S41 PolarHBondContact N-O 3.11Å; K16-S41 PolarHBondContact O-N 3Å; K16-S41 PolarHBondContact O-OG 2.91Å |
| 17 | G | 98.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 60.7 Ų | 60.7 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140 | -164.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | F9 K39 | F9-G17 PolarHBondContact N-O 3.04Å; F9-G17 PolarHBondContact O-N 3.18Å; G17-K39 VanDerWaalsContact CA-O 3.31Å; G17-K39 WeakPolarHBondContact CA-O 3.25Å |
| 18 | E | 98.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.5 | -177.9 | 67 | -177.8 | -170.1 | 0 | 0 | 112.1 | V6 A7 Y8 I20 G38 K39 | V6-E18 HydrophobicContact CG2-CB 4.28Å; A7-E18 WeakPolarHBondContact O-CA 3.47Å; Y8-E18 HydrophobicContact CD2-CB 4.18Å; E18-I20 HydrophobicContact CG-CD1 4.44Å; E18-G38 WeakPolarHBondContact O-CA 3.19Å; E18-K39 PolarHBondContact N-O 2.87Å; E18-K39 VanDerWaalsContact N-O 3.12Å; E18-K39 PolarHBondContact O-N 2.86Å; E18-K39 VanDerWaalsContact O-N 3.09Å |
| 19 | V | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.2 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | V6 A7 F9 F21 I36 T37 L40 F50 I102 L122 | V6-V19 CarbonylContact C-O 3.52Å; V6-V19 WeakPolarHBondContact CA-O 3.33Å; A7-V19 HydrophobicContact CB-CB 4.49Å; A7-V19 PolarHBondContact N-O 2.85Å; A7-V19 PolarHBondContact O-N 2.89Å; F9-V19 HydrophobicContact CE2-CG2 3.99Å; V19-F21 HydrophobicContact CB-CE2 4.43Å; V19-F21 HydrophobicContact CG1-CE2 3.99Å; V19-F21 HydrophobicContact CG1-CZ 4.06Å; V19-I36 HydrophobicContact CG1-CG2 3.53Å; V19-T37 CarbonylContact C-O 3.56Å; V19-T37 WeakPolarHBondContact CA-O 3.36Å; V19-L40 HydrophobicContact CG2-CD2 4.14Å; V19-F50 HydrophobicContact CG1-CZ 4.17Å; V19-F50 HydrophobicContact CG2-CZ 4.12Å; V19-I102 HydrophobicContact CG2-CD1 3.81Å; V19-L122 HydrophobicContact CB-CD2 3.73Å; V19-L122 HydrophobicContact CG1-CD2 3.94Å; V19-L122 HydrophobicContact CG2-CD2 3.84Å |
| 20 | I | 98.7 | Very high | 90.4 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.8 | -177.6 | -54.3 | -60.8 | 0 | 0 | 0 | 109.4 | G5 V6 E18 I36 T37 | G5-I20 WeakPolarHBondContact O-CA 3.28Å; V6-I20 HydrophobicContact CB-CD1 3.75Å; V6-I20 HydrophobicContact CG2-CD1 3.57Å; E18-I20 HydrophobicContact CG-CD1 4.44Å; I20-I36 WeakPolarHBondContact O-CA 3.41Å; I20-T37 PolarHBondContact N-O 2.63Å; I20-T37 PolarHBondContact O-N 2.98Å |
| 21 | F | 98.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.8 | 174.1 | -62 | -92.7 | 0 | 0 | 0 | 107.8 | R4 G5 A7 V19 M34 L35 I36 I52 L109 I111 I117 L122 I154 | R4-F21 CarbonylContact C-O 3.59Å; R4-F21 WeakPolarHBondContact CA-O 3.42Å; G5-F21 PolarHBondContact N-O 3.01Å; G5-F21 PolarHBondContact O-N 2.98Å; A7-F21 HydrophobicContact CB-CE2 4.18Å; V19-F21 HydrophobicContact CB-CE2 4.43Å; V19-F21 HydrophobicContact CG1-CE2 3.99Å; V19-F21 HydrophobicContact CG1-CZ 4.06Å; F21-M34 HydrophobicContact CB-SD 3.74Å; F21-M34 HydrophobicContact CD1-CG 4.23Å; F21-M34 HydrophobicContact CD1-SD 4.32Å; F21-L35 CarbonylContact C-O 3.59Å; F21-L35 WeakPolarHBondContact CA-O 3.4Å; F21-I36 HydrophobicContact CD1-CD1 4.37Å; F21-I36 HydrophobicContact CD1-CG1 3.87Å; F21-I36 HydrophobicContact CD1-CG2 4.28Å; F21-I36 HydrophobicContact CE1-CD1 4.14Å; F21-I36 HydrophobicContact CE1-CG1 4.05Å; F21-I36 HydrophobicContact CE1-CG2 4Å; F21-I36 HydrophobicContact CZ-CG2 4.44Å; F21-I52 HydrophobicContact CE1-CD1 4.03Å; F21-I52 HydrophobicContact CZ-CD1 4.4Å; F21-L109 HydrophobicContact CD1-CD1 4.48Å; F21-L109 HydrophobicContact CE1-CD1 4.31Å; F21-I111 HydrophobicContact CB-CD1 3.95Å; F21-I117 HydrophobicContact CB-CD1 4.24Å; F21-I117 HydrophobicContact CD1-CD1 3.46Å; F21-I117 VanDerWaalsContact CD1-CD1 3.46Å; F21-I117 HydrophobicContact CE1-CD1 3.91Å; F21-I117 HydrophobicContact CG-CD1 3.84Å; F21-L122 HydrophobicContact CE2-CD2 4.29Å; F21-L122 HydrophobicContact CZ-CD1 4.24Å; F21-L122 HydrophobicContact CZ-CD2 4.04Å; F21-I154 HydrophobicContact CD2-CG2 3.92Å; F21-I154 HydrophobicContact CE2-CD1 4.15Å; F21-I154 HydrophobicContact CE2-CG1 4.08Å; F21-I154 HydrophobicContact CE2-CG2 4.06Å; F21-I154 HydrophobicContact CZ-CD1 4.03Å; F21-I154 HydrophobicContact CZ-CG1 4.42Å |
| 22 | T | 97.4 | Very high | 89 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 16% | 0.16 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.6 | 179.8 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | T2 R4 L35 | T2-T22 HydrophobicContact CG2-CG2 3.56Å; R4-T22 HydrophobicContact CG-CG2 4.13Å; T22-L35 PolarHBondContact N-O 2.87Å; T22-L35 PolarHBondContact O-N 2.93Å |
| 23 | Q | 95.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.5 | 173.8 | -154.6 | 170.5 | 26.8 | 0 | 0 | 108.8 | T2 S3 F25 G32 M34 L109 I111 | T2-Q23 WeakPolarHBondContact CA-O 3.34Å; S3-Q23 PolarHBondContact N-O 2.86Å; S3-Q23 PolarHBondContact O-N 3.01Å; Q23-F25 HydrophobicContact CB-CE1 4.47Å; Q23-F25 HydrophobicContact CB-CE2 3.84Å; Q23-F25 HydrophobicContact CB-CZ 3.68Å; Q23-F25 HydrophobicContact CG-CE1 3.78Å; Q23-F25 HydrophobicContact CG-CE2 4.05Å; Q23-F25 HydrophobicContact CG-CZ 3.46Å; Q23-F25 VanDerWaalsContact CG-CZ 3.46Å; Q23-F25 WeakPolarHBondContact O-CD2 3.39Å; Q23-F25 WeakPolarHBondContact O-CE2 3.31Å; Q23-F25 VanDerWaalsContact OE1-CZ 3.29Å; Q23-G32 WeakPolarHBondContact CG-O 3.25Å; Q23-G32 PolarHBondContact NE2-O 3.02Å; Q23-M34 HydrophobicContact CB-CE 4.29Å; Q23-M34 HydrophobicContact CB-SD 4.1Å; Q23-L109 PolarHBondContact NE2-O 3.12Å; Q23-I111 HydrophobicContact CB-CB 4.38Å; Q23-I111 HydrophobicContact CB-CG2 3.75Å |
| 24 | S | 92 | Very high | 90 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.9 | 179.9 | -72.2 | 0 | 0 | 0 | 0 | 109.9 | T2 G32 | T2-S24 PolarHBondContact OG1-OG 3.17Å; S24-G32 WeakPolarHBondContact O-CA 3.12Å |
| 25 | F | 86.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | trans | -129.2 | 134.5 | -172 | -50.7 | -89.2 | 0 | 0 | 0 | 109.3 | F1 Q23 E30 I111 R112 | F1-F25 PolarHBondContact N-O 2.73Å; F1-F25 WeakPolarHBondContact O-CD2 3.27Å; F1-F25 PolarHBondContact O-N 3.09Å; Q23-F25 HydrophobicContact CB-CE1 4.47Å; Q23-F25 HydrophobicContact CB-CE2 3.84Å; Q23-F25 HydrophobicContact CB-CZ 3.68Å; Q23-F25 HydrophobicContact CG-CE1 3.78Å; Q23-F25 HydrophobicContact CG-CE2 4.05Å; Q23-F25 HydrophobicContact CG-CZ 3.46Å; Q23-F25 VanDerWaalsContact CG-CZ 3.46Å; Q23-F25 WeakPolarHBondContact O-CD2 3.39Å; Q23-F25 WeakPolarHBondContact O-CE2 3.31Å; Q23-F25 VanDerWaalsContact OE1-CZ 3.29Å; F25-E30 WeakPolarHBondContact CD1-O 3.13Å; F25-E30 WeakPolarHBondContact CE1-O 3.46Å; F25-I111 HydrophobicContact CE2-CG2 4.35Å; F25-I111 HydrophobicContact CZ-CG2 4.19Å; F25-R112 VanDerWaalsContact CD2-CZ 3.47Å | ||
| 26 | T | 83.6 | Confident | 90.2 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -110.9 | 152 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | G28 N29 | T26-G28 PolarHBondContact O-N 2.9Å; T26-G28 VanDerWaalsContact O-N 3.15Å; T26-N29 PolarHBondContact N-O 3.4Å; T26-N29 CarbonylContact O-C 3.54Å; T26-N29 PolarHBondContact O-N 3.22Å; T26-N29 WeakPolarHBondContact OG1-CB 3.4Å |
| 27 | P | 80.7 | Confident | 90.3 | Very high | 124 Ų | 124 | 56.8 Ų | 56.8 | 81% | 0.805 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 125.4 | 170 | -25 | 34.6 | 0 | 0 | 0 | 110.2 | ||
| 28 | G | 78.4 | Confident | 90.3 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 92% | 0.918 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | T26 | T26-G28 PolarHBondContact O-N 2.9Å; T26-G28 VanDerWaalsContact O-N 3.15Å |
| 29 | N | 72.5 | Confident | 90.3 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -137.4 | 95.2 | 170.2 | -175.2 | -6.8 | 0 | 0 | 0 | 109.7 | T26 D31 | T26-N29 PolarHBondContact N-O 3.4Å; T26-N29 CarbonylContact O-C 3.54Å; T26-N29 PolarHBondContact O-N 3.22Å; T26-N29 WeakPolarHBondContact OG1-CB 3.4Å; N29-D31 PolarHBondContact OD1-N 3.12Å; N29-D31 VanDerWaalsContact OD1-N 3.11Å |
| 30 | E | 75.5 | Confident | 90.3 | Very high | 150 Ų | 150 | 59.4 Ų | 59.4 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | trans | -90.4 | -3.5 | 177.7 | -56.1 | -154.8 | 149.9 | 0 | 0 | 113 | F25 G32 | F25-E30 WeakPolarHBondContact CD1-O 3.13Å; F25-E30 WeakPolarHBondContact CE1-O 3.46Å; E30-G32 PolarHBondContact O-N 3.29Å | ||
| 31 | D | 73.7 | Confident | 90.3 | Very high | 138 Ų | 138 | 59.7 Ų | 59.7 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | trans | -104 | 41.8 | -175.4 | -57.2 | -37.3 | 0 | 0 | 0 | 111.7 | N29 K33 | N29-D31 PolarHBondContact OD1-N 3.12Å; N29-D31 VanDerWaalsContact OD1-N 3.11Å; D31-K33 PolarHBondContact O-N 3.3Å | ||
| 32 | G | 82.7 | Confident | 90.3 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 133.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q23 S24 E30 | Q23-G32 WeakPolarHBondContact CG-O 3.25Å; Q23-G32 PolarHBondContact NE2-O 3.02Å; S24-G32 WeakPolarHBondContact O-CA 3.12Å; E30-G32 PolarHBondContact O-N 3.29Å |
| 33 | K | 92.4 | Very high | 90.3 | Very high | 146 Ų | 146 | 60.3 Ų | 60.3 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 141.3 | 174.1 | -65.7 | -176.5 | 179.4 | -178.2 | 0 | 110.2 | D31 L35 P107 | D31-K33 PolarHBondContact O-N 3.3Å; K33-L35 PolarHBondContact O-N 2.82Å; K33-P107 HydrophobicContact CG-CB 4.38Å |
| 34 | M | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 125.4 | 172 | -173.6 | 69.1 | 69.3 | 0 | 0 | 109.2 | F21 Q23 I36 T105 D106 L109 I111 I117 | F21-M34 HydrophobicContact CB-SD 3.74Å; F21-M34 HydrophobicContact CD1-CG 4.23Å; F21-M34 HydrophobicContact CD1-SD 4.32Å; Q23-M34 HydrophobicContact CB-CE 4.29Å; Q23-M34 HydrophobicContact CB-SD 4.1Å; M34-I36 HydrophobicContact CG-CD1 4.41Å; M34-I36 HydrophobicContact CG-CG1 3.8Å; M34-T105 CarbonylContact O-C 3.07Å; M34-T105 WeakPolarHBondContact O-CA 3.43Å; M34-T105 WeakPolarHBondContact O-CB 3.47Å; M34-D106 HydrophobicContact CB-CB 4.47Å; M34-D106 WeakPolarHBondContact CB-O 3.35Å; M34-D106 PolarHBondContact N-O 3.38Å; M34-D106 PolarHBondContact O-N 3.49Å; M34-L109 HydrophobicContact CB-CB 3.93Å; M34-L109 HydrophobicContact CE-CB 3.96Å; M34-L109 HydrophobicContact CG-CB 4.15Å; M34-L109 HydrophobicContact CG-CD1 4.31Å; M34-I111 HydrophobicContact CE-CB 3.68Å; M34-I111 HydrophobicContact CE-CD1 4.31Å; M34-I111 HydrophobicContact CE-CG1 4.29Å; M34-I111 HydrophobicContact SD-CD1 4.36Å; M34-I117 HydrophobicContact CE-CD1 3.85Å |
| 35 | L | 97.7 | Very high | 90.7 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.7 | 164.6 | 174.5 | 65.3 | 0 | 0 | 0 | 108.8 | F21 T22 K33 T37 T105 | F21-L35 CarbonylContact C-O 3.59Å; F21-L35 WeakPolarHBondContact CA-O 3.4Å; T22-L35 PolarHBondContact N-O 2.87Å; T22-L35 PolarHBondContact O-N 2.93Å; K33-L35 PolarHBondContact O-N 2.82Å; L35-T37 HydrophobicContact CD1-CG2 3.99Å; L35-T37 HydrophobicContact CD2-CG2 4.23Å; L35-T37 HydrophobicContact CG-CG2 3.96Å; L35-T105 HydrophobicContact CD1-CG2 4.04Å |
| 36 | I | 98.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.7 | -180 | -49.9 | 167.4 | 0 | 0 | 0 | 107.2 | V19 I20 F21 M34 L89 I102 N103 M104 D106 L109 | V19-I36 HydrophobicContact CG1-CG2 3.53Å; I20-I36 WeakPolarHBondContact O-CA 3.41Å; F21-I36 HydrophobicContact CD1-CD1 4.37Å; F21-I36 HydrophobicContact CD1-CG1 3.87Å; F21-I36 HydrophobicContact CD1-CG2 4.28Å; F21-I36 HydrophobicContact CE1-CD1 4.14Å; F21-I36 HydrophobicContact CE1-CG1 4.05Å; F21-I36 HydrophobicContact CE1-CG2 4Å; F21-I36 HydrophobicContact CZ-CG2 4.44Å; M34-I36 HydrophobicContact CG-CD1 4.41Å; M34-I36 HydrophobicContact CG-CG1 3.8Å; I36-L89 HydrophobicContact CD1-CD1 3.94Å; I36-L89 HydrophobicContact CD1-CD2 3.93Å; I36-I102 HydrophobicContact CG2-CG2 4.14Å; I36-N103 WeakPolarHBondContact O-CA 3.46Å; I36-M104 HydrophobicContact CB-CG 3.74Å; I36-M104 HydrophobicContact CD1-CG 4.07Å; I36-M104 HydrophobicContact CD1-SD 4.26Å; I36-M104 HydrophobicContact CG1-CG 4.39Å; I36-M104 HydrophobicContact CG2-CG 4.29Å; I36-M104 PolarHBondContact N-O 2.89Å; I36-M104 PolarHBondContact O-N 3.29Å; I36-D106 HydrophobicContact CD1-CB 4.22Å; I36-L109 HydrophobicContact CD1-CD1 3.99Å |
| 37 | T | 98.8 | Very high | 92 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 29% | 0.288 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.1 | 179.5 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | V19 I20 L35 I102 | V19-T37 CarbonylContact C-O 3.56Å; V19-T37 WeakPolarHBondContact CA-O 3.36Å; I20-T37 PolarHBondContact N-O 2.63Å; I20-T37 PolarHBondContact O-N 2.98Å; L35-T37 HydrophobicContact CD1-CG2 3.99Å; L35-T37 HydrophobicContact CD2-CG2 4.23Å; L35-T37 HydrophobicContact CG-CG2 3.96Å; T37-I102 CarbonylContact C-O 3.57Å; T37-I102 VanDerWaalsContact CA-O 3.28Å; T37-I102 WeakPolarHBondContact CA-O 3.33Å |
| 38 | G | 98.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 165.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E18 I102 | E18-G38 WeakPolarHBondContact O-CA 3.19Å; G38-I102 PolarHBondContact N-O 3.16Å; G38-I102 PolarHBondContact O-N 3.36Å |
| 39 | K | 98.7 | Very high | 93.8 | Very high | 152 Ų | 152 | 56.4 Ų | 56.4 | 66% | 0.661 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.7 | 169.8 | -71 | -171 | 177.7 | -176 | 0 | 108.7 | G17 E18 V100 | G17-K39 VanDerWaalsContact CA-O 3.31Å; G17-K39 WeakPolarHBondContact CA-O 3.25Å; E18-K39 PolarHBondContact N-O 2.87Å; E18-K39 VanDerWaalsContact N-O 3.12Å; E18-K39 PolarHBondContact O-N 2.86Å; E18-K39 VanDerWaalsContact O-N 3.09Å; K39-V100 WeakPolarHBondContact CA-O 3.44Å |
| 40 | L | 98.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 157.1 | 174.9 | -51.3 | 167.1 | 0 | 0 | 0 | 109.4 | F9 K16 V19 V43 I92 S99 V100 I102 I124 | F9-L40 HydrophobicContact CD2-CD2 3.55Å; F9-L40 HydrophobicContact CE2-CD2 4Å; F9-L40 HydrophobicContact CG-CD2 4.22Å; K16-L40 CarbonylContact O-C 3.41Å; K16-L40 WeakPolarHBondContact O-CA 3.12Å; V19-L40 HydrophobicContact CG2-CD2 4.14Å; L40-V43 HydrophobicContact CB-CG2 4.14Å; L40-I92 HydrophobicContact CD1-CD1 3.94Å; L40-S99 WeakPolarHBondContact O-CA 3.42Å; L40-V100 HydrophobicContact CB-CB 4.02Å; L40-V100 HydrophobicContact CB-CG2 4.34Å; L40-V100 HydrophobicContact CD1-CB 4.43Å; L40-V100 PolarHBondContact N-O 2.9Å; L40-V100 PolarHBondContact O-N 3.23Å; L40-I102 HydrophobicContact CD1-CD1 3.99Å; L40-I102 HydrophobicContact CG-CD1 4.48Å; L40-I124 HydrophobicContact CD1-CD1 3.51Å |
| 41 | S | 98.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.5 | 174.4 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | I15 K16 V43 G98 | I15-S41 WeakPolarHBondContact CA-O 3.47Å; K16-S41 VanDerWaalsContact CE-OG 3.27Å; K16-S41 WeakPolarHBondContact CE-OG 3.35Å; K16-S41 WeakPolarHBondContact CG-OG 3.41Å; K16-S41 PolarHBondContact N-O 3.11Å; K16-S41 PolarHBondContact O-N 3Å; K16-S41 PolarHBondContact O-OG 2.91Å; S41-V43 VanDerWaalsContact C-N 3.33Å; S41-G98 CarbonylContact C-O 3.47Å; S41-G98 WeakPolarHBondContact CA-O 3.34Å |
| 42 | G | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 38% | 0.381 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 81.5 | 9.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I15 G98 | I15-G42 WeakPolarHBondContact CG1-O 3.4Å; G42-G98 PolarHBondContact N-O 3.49Å |
| 43 | V | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 136.2 | 173.4 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | I15 L40 S41 A94 G98 V100 I149 | I15-V43 HydrophobicContact CD1-CG2 4.38Å; I15-V43 HydrophobicContact CG1-CG2 4.19Å; I15-V43 HydrophobicContact CG2-CG2 3.94Å; L40-V43 HydrophobicContact CB-CG2 4.14Å; S41-V43 VanDerWaalsContact C-N 3.33Å; V43-A94 HydrophobicContact CB-CB 3.91Å; V43-A94 HydrophobicContact CG1-CB 3.84Å; V43-G98 PolarHBondContact N-O 3.18Å; V43-G98 WeakPolarHBondContact O-CA 3.24Å; V43-V100 HydrophobicContact CB-CG2 4.01Å; V43-V100 HydrophobicContact CG1-CG2 4.38Å; V43-V100 HydrophobicContact CG2-CG2 3.84Å; V43-I149 HydrophobicContact CG1-CD1 4.36Å |
| 44 | P | 97.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -53.6 | 145.4 | 173.3 | -25.9 | 35.5 | 0 | 0 | 0 | 111.8 | H48 A94 I149 | P44-H48 PolarHBondContact O-NE2 2.84Å; P44-A94 WeakPolarHBondContact O-CB 3.49Å; P44-I149 HydrophobicContact CG-CD1 4.45Å |
| 45 | P | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -61.7 | 139.8 | 179 | -24.7 | 34.7 | 0 | 0 | 0 | 112.4 | ||
| 46 | G | 98.6 | Very high | 98.6 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | -159.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V93 A94 | G46-V93 WeakPolarHBondContact O-CA 3.2Å; G46-A94 PolarHBondContact N-O 2.84Å; G46-A94 VanDerWaalsContact N-O 3.11Å; G46-A94 PolarHBondContact O-N 3.27Å |
| 47 | R | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 39.9 Ų | 39.9 | 48% | 0.475 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 138.2 | -178.8 | -72.3 | -179.2 | 165.6 | -129.7 | -7.3 | 110.5 | I92 V93 R127 E128 | R47-I92 WeakPolarHBondContact CA-O 3.46Å; R47-V93 HydrophobicContact CG-CG2 4.24Å; R47-R127 CarbonylContact O-C 3.57Å; R47-E128 HydrophobicContact CB-CB 3.85Å; R47-E128 HydrophobicContact CB-CG 3.95Å; R47-E128 WeakPolarHBondContact CD-OE1 3.42Å; R47-E128 WeakPolarHBondContact CD-OE2 3.46Å; R47-E128 IonicContact CZ-OE1 2.66Å; R47-E128 IonicContact NE-OE1 3.69Å; R47-E128 IonicContact NH1-OE1 3.27Å; R47-E128 PolarHBondContact NH1-OE1 3.03Å; R47-E128 PolarHBondContact O-N 2.93Å |
| 48 | H | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.7 | -176.9 | -69.2 | -82.5 | 0 | 0 | 0 | 109.9 | P44 N91 I92 I124 H125 E126 R127 | P44-H48 PolarHBondContact O-NE2 2.84Å; H48-N91 VanDerWaalsContact C-OD1 3.28Å; H48-N91 VanDerWaalsContact O-CA 3.3Å; H48-N91 WeakPolarHBondContact O-CA 3.47Å; H48-N91 PolarHBondContact O-OD1 3.11Å; H48-I92 HydrophobicContact CB-CG1 4.05Å; H48-I92 PolarHBondContact N-O 3.41Å; H48-I92 PolarHBondContact O-N 2.7Å; H48-I124 HydrophobicContact CB-CG2 3.88Å; H48-H125 WeakPolarHBondContact CB-O 3.42Å; H48-H125 PolarHBondContact ND1-O 3.33Å; H48-E126 PolarHBondContact CE1-O 2.93Å; H48-E126 PolarHBondContact ND1-O 3.13Å; H48-R127 WeakPolarHBondContact CA-O 3.19Å |
| 49 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 139.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G90 N91 H125 R127 | G49-G90 CarbonylContact C-O 3.57Å; G49-G90 WeakPolarHBondContact CA-O 3.21Å; G49-N91 PolarHBondContact N-OD1 3.04Å; G49-H125 WeakPolarHBondContact O-CB 3.45Å; G49-H125 PolarHBondContact O-N 3.47Å; G49-R127 PolarHBondContact N-O 2.82Å |
| 50 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 106 | -169.3 | -172.9 | -119.9 | 0 | 0 | 0 | 109.3 | V19 L89 G90 I92 I102 M104 L122 V123 I124 | V19-F50 HydrophobicContact CG1-CZ 4.17Å; V19-F50 HydrophobicContact CG2-CZ 4.12Å; F50-L89 HydrophobicContact CD1-CB 3.95Å; F50-L89 HydrophobicContact CD1-CD1 4.08Å; F50-L89 HydrophobicContact CE1-CD1 4.08Å; F50-L89 CarbonylContact O-C 3.57Å; F50-L89 WeakPolarHBondContact O-CA 3.49Å; F50-L89 VanDerWaalsContact O-CB 3.23Å; F50-L89 WeakPolarHBondContact O-CB 3.46Å; F50-L89 PolarHBondContact O-N 3.43Å; F50-G90 PolarHBondContact N-O 2.83Å; F50-I92 HydrophobicContact CB-CG1 4.37Å; F50-I92 HydrophobicContact CB-CG2 3.94Å; F50-I92 HydrophobicContact CD1-CG2 3.7Å; F50-I92 HydrophobicContact CD2-CD1 4.06Å; F50-I92 HydrophobicContact CD2-CG1 4.49Å; F50-I92 HydrophobicContact CD2-CG2 4.09Å; F50-I92 HydrophobicContact CE1-CG2 4.11Å; F50-I92 HydrophobicContact CE2-CD1 4.41Å; F50-I92 HydrophobicContact CE2-CG2 4.45Å; F50-I92 HydrophobicContact CG-CG2 3.66Å; F50-I92 HydrophobicContact CZ-CG2 4.42Å; F50-I102 HydrophobicContact CE1-CD1 4.09Å; F50-I102 HydrophobicContact CE2-CD1 4.22Å; F50-I102 HydrophobicContact CZ-CD1 3.63Å; F50-M104 HydrophobicContact CD1-SD 4.44Å; F50-M104 HydrophobicContact CE1-SD 4.45Å; F50-L122 HydrophobicContact CD1-CD1 4.46Å; F50-L122 HydrophobicContact CD2-CD1 4.16Å; F50-L122 HydrophobicContact CD2-CG 4.45Å; F50-L122 HydrophobicContact CE1-CD1 3.99Å; F50-L122 HydrophobicContact CE2-CD1 3.67Å; F50-L122 HydrophobicContact CE2-CD2 3.68Å; F50-L122 HydrophobicContact CE2-CG 3.69Å; F50-L122 HydrophobicContact CZ-CD1 3.61Å; F50-L122 HydrophobicContact CZ-CD2 3.54Å; F50-L122 HydrophobicContact CZ-CG 3.89Å; F50-V123 WeakPolarHBondContact CA-O 3.45Å; F50-I124 HydrophobicContact CD2-CG1 3.88Å; F50-I124 HydrophobicContact CE2-CG1 4.01Å |
| 51 | H | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.6 | -166.7 | -48.8 | 123.1 | 0 | 0 | 0 | 112.1 | H68 H76 G87 L122 V123 H125 D129 | H51-H68 AromaticContact CD2-CE1 3.76Å; H51-H68 AromaticContact CE1-CE1 3.43Å; H51-H68 PolarHBondContact CE1-CE1 2.83Å; H51-H68 VanDerWaalsContact CE1-CE1 3.43Å; H51-H68 AromaticContact CE1-NE2 3.76Å; H51-H68 AromaticContact CG-CE1 3.43Å; H51-H68 VanDerWaalsContact CG-CE1 3.43Å; H51-H68 AromaticContact CG-ND1 3.89Å; H51-H68 AromaticContact CG-NE2 3.61Å; H51-H68 AromaticContact ND1-CE1 3.23Å; H51-H68 PolarHBondContact ND1-CE1 2.8Å; H51-H68 AromaticContact ND1-NE2 3.18Å; H51-H68 PolarHBondContact ND1-NE2 3.44Å; H51-H68 VanDerWaalsContact ND1-NE2 3.18Å; H51-H68 AromaticContact NE2-CE1 3.77Å; H51-H76 AromaticContact NE2-CE1 3.97Å; H51-G87 CarbonylContact C-O 3.55Å; H51-G87 VanDerWaalsContact CA-O 3.27Å; H51-G87 WeakPolarHBondContact CA-O 3.28Å; H51-L122 CarbonylContact O-C 3.54Å; H51-V123 PolarHBondContact N-O 3.05Å; H51-V123 PolarHBondContact O-N 2.79Å; H51-H125 AromaticContact CE1-CD2 3.79Å; H51-H125 AromaticContact CE1-NE2 3.92Å; H51-H125 AromaticContact ND1-CD2 3.2Å; H51-H125 PolarHBondContact ND1-CD2 3.4Å; H51-H125 AromaticContact ND1-CE1 4Å; H51-H125 AromaticContact ND1-NE2 3.06Å; H51-H125 PolarHBondContact ND1-NE2 2.66Å; H51-D129 IonicContact CE1-OD2 3.96Å; H51-D129 IonicContact NE2-OD2 3.69Å; H51-D129 PolarHBondContact NE2-OD2 3.46Å |
| 52 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.7 | 162.8 | -58 | 179.2 | 0 | 0 | 0 | 107.5 | F21 F69 G87 L89 L109 I117 R120 T121 L122 I154 | F21-I52 HydrophobicContact CE1-CD1 4.03Å; F21-I52 HydrophobicContact CZ-CD1 4.4Å; I52-F69 HydrophobicContact CG2-CB 4.15Å; I52-F69 WeakPolarHBondContact O-CB 3.45Å; I52-F69 PolarHBondContact O-N 3.17Å; I52-G87 PolarHBondContact N-O 3Å; I52-L89 HydrophobicContact CD1-CD1 4.24Å; I52-L89 HydrophobicContact CG1-CD1 4.02Å; I52-L109 HydrophobicContact CD1-CD1 3.51Å; I52-L109 HydrophobicContact CD1-CD2 3.98Å; I52-L109 HydrophobicContact CD1-CG 4.39Å; I52-I117 HydrophobicContact CD1-CB 4.06Å; I52-I117 HydrophobicContact CD1-CD1 3.99Å; I52-I117 HydrophobicContact CD1-CG2 3.75Å; I52-R120 HydrophobicContact CG2-CB 3.73Å; I52-T121 CarbonylContact C-O 3.59Å; I52-T121 WeakPolarHBondContact CA-O 3.17Å; I52-L122 HydrophobicContact CG1-CD1 4.05Å; I52-I154 HydrophobicContact CD1-CD1 3.83Å; I52-I154 HydrophobicContact CG1-CD1 4.01Å; I52-I154 HydrophobicContact CG2-CD1 3.97Å |
| 53 | H | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 151.5 | 174.4 | -78.6 | -113.3 | 0 | 0 | 0 | 111.4 | F55 A65 G66 A67 H68 R120 T121 V123 H125 | H53-F55 PolarHBondContact O-N 2.85Å; H53-A65 HydrophobicContact CB-CB 3.7Å; H53-G66 PolarHBondContact ND1-O 2.85Å; H53-A67 CarbonylContact C-O 3.59Å; H53-A67 WeakPolarHBondContact CA-O 3.07Å; H53-A67 WeakPolarHBondContact CB-O 3.43Å; H53-A67 PolarHBondContact ND1-O 2.89Å; H53-H68 AromaticContact CE1-CD2 3.55Å; H53-H68 AromaticContact NE2-CD2 3.49Å; H53-H68 PolarHBondContact NE2-CD2 2.95Å; H53-H68 AromaticContact NE2-NE2 3.86Å; H53-R120 WeakPolarHBondContact O-CB 3.29Å; H53-T121 PolarHBondContact N-O 3.11Å; H53-T121 PolarHBondContact O-N 3.14Å; H53-V123 HydrophobicContact CB-CG2 4.06Å; H53-V123 VanDerWaalsContact CD2-CB 3.48Å; H53-V123 WeakPolarHBondContact CD2-CB 3.17Å; H53-V123 WeakPolarHBondContact CD2-CG2 3.41Å; H53-H125 AromaticContact NE2-CE1 3.87Å; H53-H125 AromaticContact NE2-NE2 3.26Å; H53-H125 PolarHBondContact NE2-NE2 3.36Å |
| 54 | E | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 52 Ų | 52 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -57 | -46.6 | -166.3 | -171.2 | -178.4 | 173.3 | 0 | 0 | 113.9 | A65 A67 R120 | E54-A65 PolarHBondContact N-O 2.79Å; E54-A67 PolarHBondContact N-O 3.26Å; E54-R120 WeakPolarHBondContact O-CG 3.3Å; E54-R120 PolarHBondContact O-NH1 2.76Å |
| 55 | F | 98.5 | Very high | 98.1 | Very high | 98 Ų | 98 | 49 Ų | 49 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | trans | -104.5 | 138.6 | -169.3 | -53.6 | -59.6 | 0 | 0 | 0 | 112.4 | H53 D57 A65 T121 | H53-F55 PolarHBondContact O-N 2.85Å; F55-D57 HydrophobicContact CB-CB 4.19Å; F55-D57 PolarHBondContact O-N 3.48Å; F55-D57 VanDerWaalsContact O-N 3.09Å; F55-A65 PolarHBondContact N-O 2.89Å; F55-A65 WeakPolarHBondContact O-CA 3.3Å; F55-T121 WeakPolarHBondContact O-CB 3.21Å; F55-T121 PolarHBondContact O-OG1 2.94Å | ||
| 56 | G | 98.5 | Very high | 98.1 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | trans | -78.6 | 44.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G119 T121 I153 | G56-G119 WeakPolarHBondContact CA-O 3.39Å; G56-G119 PolarHBondContact N-O 2.94Å; G56-T121 WeakPolarHBondContact CA-OG1 3.36Å; G56-I153 VanDerWaalsContact O-CD1 3.3Å; G56-I153 WeakPolarHBondContact O-CD1 3.42Å | ||
| 57 | D | 98.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | trans | -115.3 | 119 | 179.9 | -174.5 | -0.5 | 0 | 0 | 0 | 109.9 | F55 R59 S64 A65 | F55-D57 HydrophobicContact CB-CB 4.19Å; F55-D57 PolarHBondContact O-N 3.48Å; F55-D57 VanDerWaalsContact O-N 3.09Å; D57-R59 WeakPolarHBondContact OD1-CB 3.44Å; D57-R59 VanDerWaalsContact OD1-CG 3.24Å; D57-R59 WeakPolarHBondContact OD1-CG 3.45Å; D57-R59 IonicContact OD1-CZ 3.27Å; D57-R59 PolarHBondContact OD1-N 2.81Å; D57-R59 IonicContact OD1-NE 3Å; D57-R59 PolarHBondContact OD1-NE 2.8Å; D57-R59 IonicContact OD2-CZ 3.45Å; D57-R59 VanDerWaalsContact OD2-CZ 3.27Å; D57-R59 IonicContact OD2-NE 3.06Å; D57-R59 PolarHBondContact OD2-NE 3.15Å; D57-R59 IonicContact OD2-NH2 3.43Å; D57-R59 PolarHBondContact OD2-NH2 3.26Å; D57-S64 CarbonylContact O-C 3.45Å; D57-S64 WeakPolarHBondContact O-CB 3.39Å; D57-A65 PolarHBondContact O-N 2.8Å; D57-A65 VanDerWaalsContact O-N 3.11Å | ||
| 58 | L | 96.9 | Very high | 98.1 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | trans | -120.5 | 16.8 | 179.8 | -59.8 | -176.9 | 0 | 0 | 0 | 112.5 | S60 G61 T121 C151 I153 | L58-S60 PolarHBondContact O-N 2.82Å; L58-G61 WeakPolarHBondContact O-CA 3.47Å; L58-G61 PolarHBondContact O-N 3.05Å; L58-T121 HydrophobicContact CD2-CG2 3.91Å; L58-C151 HydrophobicContact CD2-CB 4.23Å; L58-C151 VanDerWaalsContact CD2-SG 3.53Å; L58-I153 HydrophobicContact CD1-CD1 4.31Å; L58-I153 HydrophobicContact CD1-CG1 3.93Å; L58-I153 HydrophobicContact CG-CD1 4.36Å; L58-I153 HydrophobicContact CG-CG1 4.17Å | ||
| 59 | R | 96.9 | Very high | 98 | Very high | 214 Ų | 214 | 42.6 Ų | 42.6 | 81% | 0.808 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.3 | -176.8 | -71.7 | 175.9 | -65.1 | 167.3 | 0.6 | 113.7 | D57 | D57-R59 WeakPolarHBondContact OD1-CB 3.44Å; D57-R59 VanDerWaalsContact OD1-CG 3.24Å; D57-R59 WeakPolarHBondContact OD1-CG 3.45Å; D57-R59 IonicContact OD1-CZ 3.27Å; D57-R59 PolarHBondContact OD1-N 2.81Å; D57-R59 IonicContact OD1-NE 3Å; D57-R59 PolarHBondContact OD1-NE 2.8Å; D57-R59 IonicContact OD2-CZ 3.45Å; D57-R59 VanDerWaalsContact OD2-CZ 3.27Å; D57-R59 IonicContact OD2-NE 3.06Å; D57-R59 PolarHBondContact OD2-NE 3.15Å; D57-R59 IonicContact OD2-NH2 3.43Å; D57-R59 PolarHBondContact OD2-NH2 3.26Å |
| 60 | S | 96.4 | Very high | 98 | Very high | 93 Ų | 93 | 44.5 Ų | 44.5 | 65% | 0.65 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 38.9 | 171.9 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | L58 S64 | L58-S60 PolarHBondContact O-N 2.82Å; S60-S64 VanDerWaalsContact CB-OG 3.27Å; S60-S64 WeakPolarHBondContact CB-OG 3.3Å; S60-S64 PolarHBondContact N-OG 3.2Å; S60-S64 VanDerWaalsContact N-OG 3.13Å |
| 61 | G | 95.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 38% | 0.381 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | 65.4 | -155.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L58 T63 S64 | L58-G61 WeakPolarHBondContact O-CA 3.47Å; L58-G61 PolarHBondContact O-N 3.05Å; G61-T63 PolarHBondContact O-N 2.96Å; G61-T63 VanDerWaalsContact O-N 3.11Å; G61-S64 PolarHBondContact O-N 3.18Å |
| 62 | C | 97.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -63.5 | -21.9 | -172.8 | -53.9 | 0 | 0 | 0 | 0 | 114.1 | S64 A65 R148 C151 | C62-S64 VanDerWaalsContact C-N 3.27Å; C62-S64 PolarHBondContact O-N 2.78Å; C62-A65 VanDerWaalsContact O-CB 3.29Å; C62-A65 WeakPolarHBondContact O-CB 3.4Å; C62-A65 PolarHBondContact O-N 2.71Å; C62-R148 HydrophobicContact CB-CB 3.56Å; C62-R148 HydrophobicContact CB-CG 4.29Å; C62-R148 VanDerWaalsContact O-CD 3.32Å; C62-R148 WeakPolarHBondContact O-CD 3.44Å; C62-R148 PolarHBondContact O-NH1 2.81Å; C62-C151 WeakPolarHBondContact CA-SG 3.41Å; C62-C151 HydrophobicContact CB-CB 3.69Å; C62-C151 WeakPolarHBondContact CB-SG 3.3Å; C62-C151 WeakPolarHBondContact SG-CB 3.18Å; C62-C151 PolarHBondContact SG-N 3.05Å; C62-C151 CovalentContact SG-SG 2.03Å; C62-C151 PolarHBondContact SG-SG 2.84Å |
| 63 | T | 97.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 54.1 Ų | 54.1 | 64% | 0.644 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -61.8 | -35.4 | 179.3 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | G61 A65 G66 R148 | G61-T63 PolarHBondContact O-N 2.96Å; G61-T63 VanDerWaalsContact O-N 3.11Å; T63-A65 PolarHBondContact O-N 2.9Å; T63-A65 VanDerWaalsContact O-N 3.14Å; T63-G66 PolarHBondContact O-N 3.35Å; T63-R148 PolarHBondContact O-NH1 3.35Å |
| 64 | S | 98.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -65 | -15.3 | 179 | -72.7 | 0 | 0 | 0 | 0 | 114 | D57 S60 G61 C62 G66 | D57-S64 CarbonylContact O-C 3.45Å; D57-S64 WeakPolarHBondContact O-CB 3.39Å; S60-S64 VanDerWaalsContact CB-OG 3.27Å; S60-S64 WeakPolarHBondContact CB-OG 3.3Å; S60-S64 PolarHBondContact N-OG 3.2Å; S60-S64 VanDerWaalsContact N-OG 3.13Å; G61-S64 PolarHBondContact O-N 3.18Å; C62-S64 VanDerWaalsContact C-N 3.27Å; C62-S64 PolarHBondContact O-N 2.78Å; S64-G66 PolarHBondContact O-N 2.9Å; S64-G66 VanDerWaalsContact O-N 3.11Å |
| 65 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -66.4 | -11.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H53 E54 F55 D57 C62 T63 T121 | H53-A65 HydrophobicContact CB-CB 3.7Å; E54-A65 PolarHBondContact N-O 2.79Å; F55-A65 PolarHBondContact N-O 2.89Å; F55-A65 WeakPolarHBondContact O-CA 3.3Å; D57-A65 PolarHBondContact O-N 2.8Å; D57-A65 VanDerWaalsContact O-N 3.11Å; C62-A65 VanDerWaalsContact O-CB 3.29Å; C62-A65 WeakPolarHBondContact O-CB 3.4Å; C62-A65 PolarHBondContact O-N 2.71Å; T63-A65 PolarHBondContact O-N 2.9Å; T63-A65 VanDerWaalsContact O-N 3.14Å; A65-T121 HydrophobicContact CB-CG2 3.87Å |
| 66 | G | 98.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | trans | 79.7 | -154.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H53 T63 S64 R148 | H53-G66 PolarHBondContact ND1-O 2.85Å; T63-G66 PolarHBondContact O-N 3.35Å; S64-G66 PolarHBondContact O-N 2.9Å; S64-G66 VanDerWaalsContact O-N 3.11Å; G66-R148 VanDerWaalsContact O-CZ 3.29Å; G66-R148 PolarHBondContact O-NH1 3.13Å; G66-R148 PolarHBondContact O-NH2 2.82Å | ||
| 67 | A | 98.2 | Very high | 96.4 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -77.6 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H53 E54 | H53-A67 CarbonylContact C-O 3.59Å; H53-A67 WeakPolarHBondContact CA-O 3.07Å; H53-A67 WeakPolarHBondContact CB-O 3.43Å; H53-A67 PolarHBondContact ND1-O 2.89Å; E54-A67 PolarHBondContact N-O 3.26Å |
| 68 | H | 98.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -59.6 | 145.9 | 168.3 | -63.6 | -172 | 0 | 0 | 0 | 109.2 | H51 H53 S70 H76 H85 D88 | H51-H68 AromaticContact CD2-CE1 3.76Å; H51-H68 AromaticContact CE1-CE1 3.43Å; H51-H68 PolarHBondContact CE1-CE1 2.83Å; H51-H68 VanDerWaalsContact CE1-CE1 3.43Å; H51-H68 AromaticContact CE1-NE2 3.76Å; H51-H68 AromaticContact CG-CE1 3.43Å; H51-H68 VanDerWaalsContact CG-CE1 3.43Å; H51-H68 AromaticContact CG-ND1 3.89Å; H51-H68 AromaticContact CG-NE2 3.61Å; H51-H68 AromaticContact ND1-CE1 3.23Å; H51-H68 PolarHBondContact ND1-CE1 2.8Å; H51-H68 AromaticContact ND1-NE2 3.18Å; H51-H68 PolarHBondContact ND1-NE2 3.44Å; H51-H68 VanDerWaalsContact ND1-NE2 3.18Å; H51-H68 AromaticContact NE2-CE1 3.77Å; H53-H68 AromaticContact CE1-CD2 3.55Å; H53-H68 AromaticContact NE2-CD2 3.49Å; H53-H68 PolarHBondContact NE2-CD2 2.95Å; H53-H68 AromaticContact NE2-NE2 3.86Å; H68-S70 PolarHBondContact O-N 3.05Å; H68-S70 VanDerWaalsContact O-N 3.11Å; H68-H76 AromaticContact CE1-ND1 3.7Å; H68-H76 AromaticContact ND1-ND1 3.58Å; H68-H85 HydrophobicContact CB-CB 4.31Å; H68-H85 AromaticContact CG-ND1 4Å; H68-H85 AromaticContact ND1-ND1 3.75Å; H68-D88 IonicContact CE1-OD1 2.72Å; H68-D88 IonicContact CG-OD1 3.66Å; H68-D88 IonicContact ND1-OD1 2.73Å; H68-D88 PolarHBondContact ND1-OD1 3.42Å |
| 69 | F | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | trans | -66 | 112.7 | 175.9 | 170.8 | -131.8 | 0 | 0 | 0 | 109.6 | I52 L71 H85 E86 G87 I117 | I52-F69 HydrophobicContact CG2-CB 4.15Å; I52-F69 WeakPolarHBondContact O-CB 3.45Å; I52-F69 PolarHBondContact O-N 3.17Å; F69-L71 HydrophobicContact CE2-CD1 4.15Å; F69-L71 HydrophobicContact CE2-CD2 3.61Å; F69-L71 HydrophobicContact CE2-CG 3.58Å; F69-L71 HydrophobicContact CZ-CD1 3.66Å; F69-L71 HydrophobicContact CZ-CD2 3.99Å; F69-L71 HydrophobicContact CZ-CG 3.6Å; F69-H85 WeakPolarHBondContact O-CB 3.24Å; F69-E86 HydrophobicContact CD1-CB 3.97Å; F69-E86 HydrophobicContact CE1-CB 3.93Å; F69-E86 PolarHBondContact O-N 3.09Å; F69-G87 PolarHBondContact O-N 3.13Å; F69-I117 HydrophobicContact CD1-CG2 4.41Å; F69-I117 HydrophobicContact CE1-CG2 4.29Å | ||
| 70 | S | 96.9 | Very high | 96.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | trans | -132.2 | 129.6 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | H68 G73 H85 E86 | H68-S70 PolarHBondContact O-N 3.05Å; H68-S70 VanDerWaalsContact O-N 3.11Å; S70-G73 PolarHBondContact OG-N 2.8Å; S70-H85 VanDerWaalsContact CB-CD2 3.48Å; S70-H85 WeakPolarHBondContact CB-CD2 3.34Å; S70-H85 PolarHBondContact OG-CD2 2.95Å; S70-E86 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 71 | L | 94.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -108.2 | -28.1 | 172.1 | -65.6 | 176.4 | 0 | 0 | 0 | 112.1 | F69 E86 Q115 | F69-L71 HydrophobicContact CE2-CD1 4.15Å; F69-L71 HydrophobicContact CE2-CD2 3.61Å; F69-L71 HydrophobicContact CE2-CG 3.58Å; F69-L71 HydrophobicContact CZ-CD1 3.66Å; F69-L71 HydrophobicContact CZ-CD2 3.99Å; F69-L71 HydrophobicContact CZ-CG 3.6Å; L71-E86 PolarHBondContact N-OE2 3.04Å; L71-Q115 HydrophobicContact CD1-CB 3.71Å; L71-Q115 HydrophobicContact CD1-CG 3.5Å |
| 72 | S | 85.1 | Confident | 96.3 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -89.4 | -13.7 | -170.3 | 40.9 | 0 | 0 | 0 | 0 | 113.9 | H74 E86 | S72-H74 WeakPolarHBondContact CB-ND1 3.5Å; S72-H74 PolarHBondContact O-N 2.69Å; S72-H74 PolarHBondContact OG-ND1 2.97Å; S72-E86 WeakPolarHBondContact CB-OE1 3.39Å; S72-E86 PolarHBondContact N-OE1 2.65Å; S72-E86 PolarHBondContact OG-OE1 3.07Å |
| 73 | G | 88.6 | Confident | 96.2 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | trans | 68.7 | 14.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S70 | S70-G73 PolarHBondContact OG-N 2.8Š| ||
| 74 | H | 95.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 162 | 172.3 | -69 | 155.8 | 0 | 0 | 0 | 112 | S72 E83 R84 H85 | S72-H74 WeakPolarHBondContact CB-ND1 3.5Å; S72-H74 PolarHBondContact O-N 2.69Å; S72-H74 PolarHBondContact OG-ND1 2.97Å; H74-E83 HydrophobicContact CB-CG 3.67Å; H74-R84 WeakPolarHBondContact CB-O 3Å; H74-R84 PolarHBondContact ND1-O 3Å; H74-H85 PolarHBondContact O-CD2 3.22Å; H74-H85 PolarHBondContact O-NE2 3.11Å |
| 75 | N | 97.7 | Very high | 96.3 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 162.6 | 164 | -64.5 | -57.5 | 0 | 0 | 0 | 111.1 | E83 R84 L140 | N75-E83 WeakPolarHBondContact CB-OE1 3.47Å; N75-E83 PolarHBondContact N-OE1 3.34Å; N75-E83 PolarHBondContact ND2-OE1 3.49Å; N75-R84 CarbonylContact O-C 3.45Å; N75-R84 WeakPolarHBondContact O-CA 3.01Å; N75-L140 HydrophobicContact CB-CB 4.16Å; N75-L140 HydrophobicContact CB-CD2 4.32Å; N75-L140 WeakPolarHBondContact CB-O 3.36Å |
| 76 | H | 98.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 145.9 | 169.7 | 170.4 | 79.2 | 0 | 0 | 0 | 111.6 | H51 H68 D88 D129 G132 S139 L140 G143 | H51-H76 AromaticContact NE2-CE1 3.97Å; H68-H76 AromaticContact CE1-ND1 3.7Å; H68-H76 AromaticContact ND1-ND1 3.58Å; H76-D88 VanDerWaalsContact CA-OD2 3.3Å; H76-D88 WeakPolarHBondContact CA-OD2 3.48Å; H76-D88 IonicContact CE1-OD1 3.04Å; H76-D88 IonicContact CE1-OD2 3.46Å; H76-D88 IonicContact CG-OD2 3.62Å; H76-D88 IonicContact ND1-OD1 2.84Å; H76-D88 PolarHBondContact ND1-OD1 3.15Å; H76-D88 IonicContact ND1-OD2 3.55Å; H76-D88 PolarHBondContact ND1-OD2 3.36Å; H76-D88 VanDerWaalsContact ND1-OD2 3.11Å; H76-D129 IonicContact CE1-OD1 3.87Å; H76-D129 PolarHBondContact CE1-OD1 2.75Å; H76-D129 IonicContact CE1-OD2 3.68Å; H76-D129 PolarHBondContact CE1-OD2 3.04Å; H76-D129 VanDerWaalsContact CE1-OD2 3.23Å; H76-D129 IonicContact NE2-OD1 3.23Å; H76-D129 PolarHBondContact NE2-OD1 3.19Å; H76-D129 IonicContact NE2-OD2 3.11Å; H76-D129 PolarHBondContact NE2-OD2 3.36Å; H76-G132 PolarHBondContact CD2-N 3.45Å; H76-S139 PolarHBondContact CD2-O 2.88Å; H76-L140 WeakPolarHBondContact CB-O 3.11Å; H76-L140 PolarHBondContact N-O 3.11Å; H76-G143 PolarHBondContact CD2-N 3.13Å; H76-G143 WeakPolarHBondContact NE2-CA 3.49Å |
| 77 | G | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | trans | -165.1 | 175.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | D88 | G77-D88 PolarHBondContact N-OD2 3Å; G77-D88 VanDerWaalsContact O-CB 3.3Å; G77-D88 WeakPolarHBondContact O-CB 3.49Å | ||
| 78 | A | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | trans | -58.1 | 154.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S80 A81 R84 L131 | A78-S80 PolarHBondContact O-N 3.21Å; A78-A81 HydrophobicContact CB-CB 4.33Å; A78-A81 WeakPolarHBondContact O-CB 3.48Å; A78-A81 PolarHBondContact O-N 3.02Å; A78-R84 WeakPolarHBondContact O-CD 3.17Å; A78-L131 HydrophobicContact CB-CB 3.84Å; A78-L131 HydrophobicContact CB-CD1 4.08Å; A78-L131 HydrophobicContact CB-CD2 4.43Å; A78-L131 HydrophobicContact CB-CG 4.35Å; A78-L131 PolarHBondContact N-O 2.03Å | ||
| 79 | P | 97.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.9 | 176.6 | -26.5 | 33.2 | 0 | 0 | 0 | 115 | R84 D88 L89 | P79-R84 VanDerWaalsContact C-NH1 3.29Å; P79-R84 VanDerWaalsContact CA-CZ 3.48Å; P79-R84 PolarHBondContact O-NH1 2.72Å; P79-D88 WeakPolarHBondContact CG-O 3.18Å; P79-L89 WeakPolarHBondContact CG-O 3.19Å |
| 80 | S | 96.9 | Very high | 96.3 | Very high | 114 Ų | 114 | 45.1 Ų | 45.1 | 80% | 0.797 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -3.9 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | A78 | A78-S80 PolarHBondContact O-N 3.21Š|
| 81 | A | 96.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | trans | -76.3 | 147.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A78 E83 R84 | A78-A81 HydrophobicContact CB-CB 4.33Å; A78-A81 WeakPolarHBondContact O-CB 3.48Å; A78-A81 PolarHBondContact O-N 3.02Å; A81-E83 WeakPolarHBondContact CB-O 3.45Å; A81-R84 WeakPolarHBondContact O-CD 3.27Å | ||
| 82 | Q | 93.6 | Very high | 96.6 | Very high | 193 Ų | 193 | 40.9 Ų | 40.9 | 90% | 0.902 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -73.1 | -40 | 174.2 | -176.3 | 176.9 | 1.9 | 0 | 0 | 111.4 | ||
| 83 | E | 95.5 | Very high | 97.2 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -97 | 113.5 | 170.7 | -170.4 | 179.3 | 154.3 | 0 | 0 | 108.3 | H74 N75 A81 | H74-E83 HydrophobicContact CB-CG 3.67Å; N75-E83 WeakPolarHBondContact CB-OE1 3.47Å; N75-E83 PolarHBondContact N-OE1 3.34Å; N75-E83 PolarHBondContact ND2-OE1 3.49Å; A81-E83 WeakPolarHBondContact CB-O 3.45Å |
| 84 | R | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -164.1 | 163.6 | 177 | 58.1 | 177.1 | -74.3 | -146.8 | -14.5 | 108.5 | H74 N75 A78 P79 A81 E86 D88 D106 L108 | H74-R84 WeakPolarHBondContact CB-O 3Å; H74-R84 PolarHBondContact ND1-O 3Å; N75-R84 CarbonylContact O-C 3.45Å; N75-R84 WeakPolarHBondContact O-CA 3.01Å; A78-R84 WeakPolarHBondContact O-CD 3.17Å; P79-R84 VanDerWaalsContact C-NH1 3.29Å; P79-R84 VanDerWaalsContact CA-CZ 3.48Å; P79-R84 PolarHBondContact O-NH1 2.72Å; A81-R84 WeakPolarHBondContact O-CD 3.27Å; R84-E86 PolarHBondContact NH2-O 3.25Å; R84-D88 HydrophobicContact CB-CB 4.44Å; R84-D88 PolarHBondContact NE-O 2.85Å; R84-D88 PolarHBondContact NH2-O 3.29Å; R84-D106 IonicContact CZ-OD2 2.88Å; R84-D106 VanDerWaalsContact CZ-OD2 3.27Å; R84-D106 IonicContact NH1-OD2 3.89Å; R84-D106 PolarHBondContact NH1-OD2 2.83Å; R84-D106 IonicContact NH2-OD2 2.93Å; R84-D106 PolarHBondContact NH2-OD2 3.11Å; R84-L108 HydrophobicContact CG-CD1 3.96Å |
| 85 | H | 98.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | trans | -72.9 | 151.7 | 161.3 | -49.8 | 135.9 | 0 | 0 | 0 | 110.4 | H68 F69 S70 H74 G87 D88 K141 | H68-H85 HydrophobicContact CB-CB 4.31Å; H68-H85 AromaticContact CG-ND1 4Å; H68-H85 AromaticContact ND1-ND1 3.75Å; F69-H85 WeakPolarHBondContact O-CB 3.24Å; S70-H85 VanDerWaalsContact CB-CD2 3.48Å; S70-H85 WeakPolarHBondContact CB-CD2 3.34Å; S70-H85 PolarHBondContact OG-CD2 2.95Å; H74-H85 PolarHBondContact O-CD2 3.22Å; H74-H85 PolarHBondContact O-NE2 3.11Å; H85-G87 PolarHBondContact O-N 2.95Å; H85-D88 WeakPolarHBondContact CB-OD2 3.04Å; H85-D88 IonicContact CG-OD1 3.83Å; H85-D88 IonicContact CG-OD2 3.67Å; H85-D88 PolarHBondContact N-OD2 2.85Å; H85-D88 IonicContact ND1-OD1 3.33Å; H85-D88 PolarHBondContact ND1-OD1 2.86Å; H85-D88 IonicContact ND1-OD2 2.92Å; H85-D88 PolarHBondContact ND1-OD2 2.88Å; H85-D88 WeakPolarHBondContact O-CB 3.04Å; H85-D88 PolarHBondContact O-N 3.06Å; H85-D88 VanDerWaalsContact O-N 3.16Å; H85-K141 PolarHBondContact CE1-O 3.29Å | ||
| 86 | E | 97.3 | Very high | 97.9 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -35.1 | 174.8 | -66.8 | 75 | -168.3 | 0 | 0 | 110.8 | F69 S70 L71 S72 R84 D88 L108 L109 | F69-E86 HydrophobicContact CD1-CB 3.97Å; F69-E86 HydrophobicContact CE1-CB 3.93Å; F69-E86 PolarHBondContact O-N 3.09Å; S70-E86 WeakPolarHBondContact CA-OE2 3.45Å; L71-E86 PolarHBondContact N-OE2 3.04Å; S72-E86 WeakPolarHBondContact CB-OE1 3.39Å; S72-E86 PolarHBondContact N-OE1 2.65Å; S72-E86 PolarHBondContact OG-OE1 3.07Å; R84-E86 PolarHBondContact NH2-O 3.25Å; E86-D88 VanDerWaalsContact C-N 3.3Å; E86-D88 PolarHBondContact O-N 2.93Å; E86-L108 HydrophobicContact CG-CB 4.36Å; E86-L109 WeakPolarHBondContact O-CD2 3.22Å |
| 87 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | H51 I52 F69 H85 L89 | H51-G87 CarbonylContact C-O 3.55Å; H51-G87 VanDerWaalsContact CA-O 3.27Å; H51-G87 WeakPolarHBondContact CA-O 3.28Å; I52-G87 PolarHBondContact N-O 3Å; F69-G87 PolarHBondContact O-N 3.13Å; H85-G87 PolarHBondContact O-N 2.95Å; G87-L89 PolarHBondContact O-N 2.78Å; G87-L89 VanDerWaalsContact O-N 3.11Å |
| 88 | D | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 87.8 | -172.8 | -68.5 | -21.2 | 0 | 0 | 0 | 113.2 | H68 H76 G77 P79 R84 H85 E86 G90 | H68-D88 IonicContact CE1-OD1 2.72Å; H68-D88 IonicContact CG-OD1 3.66Å; H68-D88 IonicContact ND1-OD1 2.73Å; H68-D88 PolarHBondContact ND1-OD1 3.42Å; H76-D88 VanDerWaalsContact CA-OD2 3.3Å; H76-D88 WeakPolarHBondContact CA-OD2 3.48Å; H76-D88 IonicContact CE1-OD1 3.04Å; H76-D88 IonicContact CE1-OD2 3.46Å; H76-D88 IonicContact CG-OD2 3.62Å; H76-D88 IonicContact ND1-OD1 2.84Å; H76-D88 PolarHBondContact ND1-OD1 3.15Å; H76-D88 IonicContact ND1-OD2 3.55Å; H76-D88 PolarHBondContact ND1-OD2 3.36Å; H76-D88 VanDerWaalsContact ND1-OD2 3.11Å; G77-D88 PolarHBondContact N-OD2 3Å; G77-D88 VanDerWaalsContact O-CB 3.3Å; G77-D88 WeakPolarHBondContact O-CB 3.49Å; P79-D88 WeakPolarHBondContact CG-O 3.18Å; R84-D88 HydrophobicContact CB-CB 4.44Å; R84-D88 PolarHBondContact NE-O 2.85Å; R84-D88 PolarHBondContact NH2-O 3.29Å; H85-D88 WeakPolarHBondContact CB-OD2 3.04Å; H85-D88 IonicContact CG-OD1 3.83Å; H85-D88 IonicContact CG-OD2 3.67Å; H85-D88 PolarHBondContact N-OD2 2.85Å; H85-D88 IonicContact ND1-OD1 3.33Å; H85-D88 PolarHBondContact ND1-OD1 2.86Å; H85-D88 IonicContact ND1-OD2 2.92Å; H85-D88 PolarHBondContact ND1-OD2 2.88Å; H85-D88 WeakPolarHBondContact O-CB 3.04Å; H85-D88 PolarHBondContact O-N 3.06Å; H85-D88 VanDerWaalsContact O-N 3.16Å; E86-D88 VanDerWaalsContact C-N 3.3Å; E86-D88 PolarHBondContact O-N 2.93Å; D88-G90 VanDerWaalsContact C-N 3.31Å; D88-G90 PolarHBondContact O-N 3.49Å |
| 89 | L | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 6.3 | -178.7 | -48.2 | 170.8 | 0 | 0 | 0 | 113.8 | I36 F50 I52 P79 G87 M104 D106 L109 L122 | I36-L89 HydrophobicContact CD1-CD1 3.94Å; I36-L89 HydrophobicContact CD1-CD2 3.93Å; F50-L89 HydrophobicContact CD1-CB 3.95Å; F50-L89 HydrophobicContact CD1-CD1 4.08Å; F50-L89 HydrophobicContact CE1-CD1 4.08Å; F50-L89 CarbonylContact O-C 3.57Å; F50-L89 WeakPolarHBondContact O-CA 3.49Å; F50-L89 VanDerWaalsContact O-CB 3.23Å; F50-L89 WeakPolarHBondContact O-CB 3.46Å; F50-L89 PolarHBondContact O-N 3.43Å; I52-L89 HydrophobicContact CD1-CD1 4.24Å; I52-L89 HydrophobicContact CG1-CD1 4.02Å; P79-L89 WeakPolarHBondContact CG-O 3.19Å; G87-L89 PolarHBondContact O-N 2.78Å; G87-L89 VanDerWaalsContact O-N 3.11Å; L89-M104 HydrophobicContact CB-SD 4.2Å; L89-D106 HydrophobicContact CD2-CB 4.13Å; L89-L109 HydrophobicContact CD1-CD1 4.43Å; L89-L109 HydrophobicContact CD2-CD1 3.82Å; L89-L109 HydrophobicContact CD2-CG 4.3Å; L89-L122 HydrophobicContact CD1-CD1 4.27Å |
| 90 | G | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.4 | -126.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G49 F50 D88 | G49-G90 CarbonylContact C-O 3.57Å; G49-G90 WeakPolarHBondContact CA-O 3.21Å; F50-G90 PolarHBondContact N-O 2.83Å; D88-G90 VanDerWaalsContact C-N 3.31Å; D88-G90 PolarHBondContact O-N 3.49Å |
| 91 | N | 98.8 | Very high | 98 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 15% | 0.15 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.7 | -173.3 | -71.3 | -77.9 | 0 | 0 | 0 | 113.1 | H48 G49 E128 D129 | H48-N91 VanDerWaalsContact C-OD1 3.28Å; H48-N91 VanDerWaalsContact O-CA 3.3Å; H48-N91 WeakPolarHBondContact O-CA 3.47Å; H48-N91 PolarHBondContact O-OD1 3.11Å; G49-N91 PolarHBondContact N-OD1 3.04Å; N91-E128 WeakPolarHBondContact OD1-CA 3.23Å; N91-D129 PolarHBondContact ND2-O 3.21Å; N91-D129 PolarHBondContact OD1-N 2.7Å |
| 92 | I | 98.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 157.3 | 159 | 60.4 | 174.6 | 0 | 0 | 0 | 110.1 | L40 R47 H48 F50 V100 I102 M104 I124 | L40-I92 HydrophobicContact CD1-CD1 3.94Å; R47-I92 WeakPolarHBondContact CA-O 3.46Å; H48-I92 HydrophobicContact CB-CG1 4.05Å; H48-I92 PolarHBondContact N-O 3.41Å; H48-I92 PolarHBondContact O-N 2.7Å; F50-I92 HydrophobicContact CB-CG1 4.37Å; F50-I92 HydrophobicContact CB-CG2 3.94Å; F50-I92 HydrophobicContact CD1-CG2 3.7Å; F50-I92 HydrophobicContact CD2-CD1 4.06Å; F50-I92 HydrophobicContact CD2-CG1 4.49Å; F50-I92 HydrophobicContact CD2-CG2 4.09Å; F50-I92 HydrophobicContact CE1-CG2 4.11Å; F50-I92 HydrophobicContact CE2-CD1 4.41Å; F50-I92 HydrophobicContact CE2-CG2 4.45Å; F50-I92 HydrophobicContact CG-CG2 3.66Å; F50-I92 HydrophobicContact CZ-CG2 4.42Å; I92-V100 HydrophobicContact CB-CG1 3.94Å; I92-V100 HydrophobicContact CD1-CG1 4.17Å; I92-V100 HydrophobicContact CD1-CG2 4.36Å; I92-V100 HydrophobicContact CG1-CG1 4.46Å; I92-I102 HydrophobicContact CG2-CD1 3.85Å; I92-I102 HydrophobicContact CG2-CG1 3.94Å; I92-M104 HydrophobicContact CG2-CE 4.3Å; I92-I124 HydrophobicContact CD1-CD1 4.21Å; I92-I124 HydrophobicContact CD1-CG1 4.12Å; I92-I124 HydrophobicContact CD1-CG2 3.95Å |
| 93 | V | 98.7 | Very high | 98.3 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | G46 R47 | G46-V93 WeakPolarHBondContact O-CA 3.2Å; R47-V93 HydrophobicContact CG-CG2 4.24Å |
| 94 | A | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V43 P44 G46 S99 V100 | V43-A94 HydrophobicContact CB-CB 3.91Å; V43-A94 HydrophobicContact CG1-CB 3.84Å; P44-A94 WeakPolarHBondContact O-CB 3.49Å; G46-A94 PolarHBondContact N-O 2.84Å; G46-A94 VanDerWaalsContact N-O 3.11Å; G46-A94 PolarHBondContact O-N 3.27Å; A94-S99 CarbonylContact C-O 3.48Å; A94-S99 WeakPolarHBondContact CA-O 3Å; A94-V100 HydrophobicContact CB-CG2 3.75Å |
| 95 | G | 98.5 | Very high | 98.4 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | trans | -67.6 | 173.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D97 G98 S99 | G95-D97 PolarHBondContact O-N 2.95Å; G95-G98 WeakPolarHBondContact O-CA 3.28Å; G95-G98 PolarHBondContact O-N 2.8Å; G95-S99 PolarHBondContact N-O 2.72Å | ||
| 96 | Q | 98.3 | Very high | 98.4 | Very high | 175 Ų | 175 | 43.9 Ų | 43.9 | 82% | 0.818 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.8 | 177.4 | -66.8 | -61.7 | -27.7 | 0 | 0 | 113.3 | G98 | Q96-G98 VanDerWaalsContact C-N 3.27Š|
| 97 | D | 97.8 | Very high | 98.2 | Very high | 123 Ų | 123 | 46.7 Ų | 46.7 | 66% | 0.658 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.9 | 173.3 | 67 | -15.4 | 0 | 0 | 0 | 113.2 | G95 S99 | G95-D97 PolarHBondContact O-N 2.95Å; D97-S99 VanDerWaalsContact C-N 3.28Å; D97-S99 VanDerWaalsContact CG-OG 3.28Å; D97-S99 PolarHBondContact O-N 3.15Å; D97-S99 VanDerWaalsContact OD1-CB 3.27Å; D97-S99 WeakPolarHBondContact OD1-CB 3.27Å; D97-S99 PolarHBondContact OD1-N 3.26Å; D97-S99 PolarHBondContact OD1-OG 3.06Å; D97-S99 PolarHBondContact OD2-OG 3.2Å |
| 98 | G | 98.1 | Very high | 98 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 72.6 | 16.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S41 G42 V43 G95 Q96 | S41-G98 CarbonylContact C-O 3.47Å; S41-G98 WeakPolarHBondContact CA-O 3.34Å; G42-G98 PolarHBondContact N-O 3.49Å; V43-G98 PolarHBondContact N-O 3.18Å; V43-G98 WeakPolarHBondContact O-CA 3.24Å; G95-G98 WeakPolarHBondContact O-CA 3.28Å; G95-G98 PolarHBondContact O-N 2.8Å; Q96-G98 VanDerWaalsContact C-N 3.27Å |
| 99 | S | 98.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | trans | -81.2 | 141.5 | 173.7 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | L40 A94 G95 D97 | L40-S99 WeakPolarHBondContact O-CA 3.42Å; A94-S99 CarbonylContact C-O 3.48Å; A94-S99 WeakPolarHBondContact CA-O 3Å; G95-S99 PolarHBondContact N-O 2.72Å; D97-S99 VanDerWaalsContact C-N 3.28Å; D97-S99 VanDerWaalsContact CG-OG 3.28Å; D97-S99 PolarHBondContact O-N 3.15Å; D97-S99 VanDerWaalsContact OD1-CB 3.27Å; D97-S99 WeakPolarHBondContact OD1-CB 3.27Å; D97-S99 PolarHBondContact OD1-N 3.26Å; D97-S99 PolarHBondContact OD1-OG 3.06Å; D97-S99 PolarHBondContact OD2-OG 3.2Å | ||
| 100 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.5 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | K39 L40 V43 I92 A94 I102 | K39-V100 WeakPolarHBondContact CA-O 3.44Å; L40-V100 HydrophobicContact CB-CB 4.02Å; L40-V100 HydrophobicContact CB-CG2 4.34Å; L40-V100 HydrophobicContact CD1-CB 4.43Å; L40-V100 PolarHBondContact N-O 2.9Å; L40-V100 PolarHBondContact O-N 3.23Å; V43-V100 HydrophobicContact CB-CG2 4.01Å; V43-V100 HydrophobicContact CG1-CG2 4.38Å; V43-V100 HydrophobicContact CG2-CG2 3.84Å; I92-V100 HydrophobicContact CB-CG1 3.94Å; I92-V100 HydrophobicContact CD1-CG1 4.17Å; I92-V100 HydrophobicContact CD1-CG2 4.36Å; I92-V100 HydrophobicContact CG1-CG1 4.46Å; A94-V100 HydrophobicContact CB-CG2 3.75Å; V100-I102 HydrophobicContact CG1-CD1 4.37Å; V100-I102 HydrophobicContact CG1-CG1 3.74Å |
| 101 | T | 98.7 | Very high | 97.5 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 66% | 0.663 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.5 | 164.2 | -62 | 0 | 0 | 0 | 0 | 108.8 | ||
| 102 | I | 98.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.4 | -179.3 | -58.8 | 177.7 | 0 | 0 | 0 | 108.1 | V19 I36 T37 G38 L40 F50 I92 V100 M104 | V19-I102 HydrophobicContact CG2-CD1 3.81Å; I36-I102 HydrophobicContact CG2-CG2 4.14Å; T37-I102 CarbonylContact C-O 3.57Å; T37-I102 VanDerWaalsContact CA-O 3.28Å; T37-I102 WeakPolarHBondContact CA-O 3.33Å; G38-I102 PolarHBondContact N-O 3.16Å; G38-I102 PolarHBondContact O-N 3.36Å; L40-I102 HydrophobicContact CD1-CD1 3.99Å; L40-I102 HydrophobicContact CG-CD1 4.48Å; F50-I102 HydrophobicContact CE1-CD1 4.09Å; F50-I102 HydrophobicContact CE2-CD1 4.22Å; F50-I102 HydrophobicContact CZ-CD1 3.63Å; I92-I102 HydrophobicContact CG2-CD1 3.85Å; I92-I102 HydrophobicContact CG2-CG1 3.94Å; V100-I102 HydrophobicContact CG1-CD1 4.37Å; V100-I102 HydrophobicContact CG1-CG1 3.74Å; I102-M104 HydrophobicContact CG2-CE 4.03Å; I102-M104 HydrophobicContact CG2-CG 4.17Å; I102-M104 HydrophobicContact CG2-SD 4.37Å |
| 103 | N | 98.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 58.6 Ų | 58.6 | 67% | 0.674 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 95.4 | 169.5 | -175.5 | 17.4 | 0 | 0 | 0 | 108.6 | I36 | I36-N103 WeakPolarHBondContact O-CA 3.46Å |
| 104 | M | 98.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 164.1 | -176.9 | 62.4 | -178 | 56.6 | 0 | 0 | 110.6 | I36 F50 L89 I92 I102 | I36-M104 HydrophobicContact CB-CG 3.74Å; I36-M104 HydrophobicContact CD1-CG 4.07Å; I36-M104 HydrophobicContact CD1-SD 4.26Å; I36-M104 HydrophobicContact CG1-CG 4.39Å; I36-M104 HydrophobicContact CG2-CG 4.29Å; I36-M104 PolarHBondContact N-O 2.89Å; I36-M104 PolarHBondContact O-N 3.29Å; F50-M104 HydrophobicContact CD1-SD 4.44Å; F50-M104 HydrophobicContact CE1-SD 4.45Å; L89-M104 HydrophobicContact CB-SD 4.2Å; I92-M104 HydrophobicContact CG2-CE 4.3Å; I102-M104 HydrophobicContact CG2-CE 4.03Å; I102-M104 HydrophobicContact CG2-CG 4.17Å; I102-M104 HydrophobicContact CG2-SD 4.37Å |
| 105 | T | 97.5 | Very high | 96.3 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 55% | 0.546 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.8 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | M34 L35 | M34-T105 CarbonylContact O-C 3.07Å; M34-T105 WeakPolarHBondContact O-CA 3.43Å; M34-T105 WeakPolarHBondContact O-CB 3.47Å; L35-T105 HydrophobicContact CD1-CG2 4.04Å |
| 106 | D | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.4 | 176.7 | -167.5 | -80.6 | 0 | 0 | 0 | 110.8 | M34 I36 R84 L89 L108 L109 | M34-D106 HydrophobicContact CB-CB 4.47Å; M34-D106 WeakPolarHBondContact CB-O 3.35Å; M34-D106 PolarHBondContact N-O 3.38Å; M34-D106 PolarHBondContact O-N 3.49Å; I36-D106 HydrophobicContact CD1-CB 4.22Å; R84-D106 IonicContact CZ-OD2 2.88Å; R84-D106 VanDerWaalsContact CZ-OD2 3.27Å; R84-D106 IonicContact NH1-OD2 3.89Å; R84-D106 PolarHBondContact NH1-OD2 2.83Å; R84-D106 IonicContact NH2-OD2 2.93Å; R84-D106 PolarHBondContact NH2-OD2 3.11Å; L89-D106 HydrophobicContact CD2-CB 4.13Å; D106-L108 WeakPolarHBondContact OD1-CA 3.48Å; D106-L108 WeakPolarHBondContact OD1-CB 3.44Å; D106-L108 PolarHBondContact OD1-N 2.7Å; D106-L109 HydrophobicContact CB-CB 4.42Å; D106-L109 HydrophobicContact CB-CD1 4.25Å; D106-L109 HydrophobicContact CB-CG 4Å; D106-L109 WeakPolarHBondContact OD1-CG 3.23Å; D106-L109 PolarHBondContact OD1-N 3.21Å |
| 107 | P | 94.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -86.8 | -15.6 | -179.6 | 35.1 | -35 | 0 | 0 | 0 | 114.2 | K33 | K33-P107 HydrophobicContact CG-CB 4.38Š|
| 108 | L | 94.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -91.7 | -30.2 | -176.5 | -59.9 | -176.4 | 0 | 0 | 0 | 112 | R84 E86 D106 I110 | R84-L108 HydrophobicContact CG-CD1 3.96Å; E86-L108 HydrophobicContact CG-CB 4.36Å; D106-L108 WeakPolarHBondContact OD1-CA 3.48Å; D106-L108 WeakPolarHBondContact OD1-CB 3.44Å; D106-L108 PolarHBondContact OD1-N 2.7Å; L108-I110 PolarHBondContact O-N 2.76Å |
| 109 | L | 95.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | trans | -67.7 | 134.6 | -179.4 | -63.5 | -167.5 | 0 | 0 | 0 | 112.3 | F21 Q23 M34 I36 I52 E86 L89 D106 I117 | F21-L109 HydrophobicContact CD1-CD1 4.48Å; F21-L109 HydrophobicContact CE1-CD1 4.31Å; Q23-L109 PolarHBondContact NE2-O 3.12Å; M34-L109 HydrophobicContact CB-CB 3.93Å; M34-L109 HydrophobicContact CE-CB 3.96Å; M34-L109 HydrophobicContact CG-CB 4.15Å; M34-L109 HydrophobicContact CG-CD1 4.31Å; I36-L109 HydrophobicContact CD1-CD1 3.99Å; I52-L109 HydrophobicContact CD1-CD1 3.51Å; I52-L109 HydrophobicContact CD1-CD2 3.98Å; I52-L109 HydrophobicContact CD1-CG 4.39Å; E86-L109 WeakPolarHBondContact O-CD2 3.22Å; L89-L109 HydrophobicContact CD1-CD1 4.43Å; L89-L109 HydrophobicContact CD2-CD1 3.82Å; L89-L109 HydrophobicContact CD2-CG 4.3Å; D106-L109 HydrophobicContact CB-CB 4.42Å; D106-L109 HydrophobicContact CB-CD1 4.25Å; D106-L109 HydrophobicContact CB-CG 4Å; D106-L109 WeakPolarHBondContact OD1-CG 3.23Å; D106-L109 PolarHBondContact OD1-N 3.21Å; L109-I117 HydrophobicContact CB-CG2 4.4Å; L109-I117 HydrophobicContact CD1-CD1 4.17Å; L109-I117 HydrophobicContact CD1-CG2 4.48Å; L109-I117 HydrophobicContact CD2-CG2 3.79Å; L109-I117 HydrophobicContact CG-CG2 4.44Å | ||
| 110 | I | 94.5 | Very high | 96.2 | Very high | 59 Ų | 59 | 54 Ų | 54 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | trans | -122.8 | 138.2 | 176.4 | -50.3 | 178.7 | 0 | 0 | 0 | 108.8 | L108 R112 T116 I117 | L108-I110 PolarHBondContact O-N 2.76Å; I110-R112 WeakPolarHBondContact CG2-O 3.47Å; I110-T116 VanDerWaalsContact O-CA 3.28Å; I110-T116 WeakPolarHBondContact O-CA 3.41Å; I110-I117 PolarHBondContact O-N 2.95Å | ||
| 111 | I | 95.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -101 | -8.9 | -179.3 | -149.6 | 164.5 | 0 | 0 | 0 | 113.8 | R4 F21 Q23 F25 M34 T116 I118 | R4-I111 VanDerWaalsContact C-CD1 3.49Å; F21-I111 HydrophobicContact CB-CD1 3.95Å; Q23-I111 HydrophobicContact CB-CB 4.38Å; Q23-I111 HydrophobicContact CB-CG2 3.75Å; F25-I111 HydrophobicContact CE2-CG2 4.35Å; F25-I111 HydrophobicContact CZ-CG2 4.19Å; M34-I111 HydrophobicContact CE-CB 3.68Å; M34-I111 HydrophobicContact CE-CD1 4.31Å; M34-I111 HydrophobicContact CE-CG1 4.29Å; M34-I111 HydrophobicContact SD-CD1 4.36Å; I111-T116 PolarHBondContact O-OG1 3Å; I111-I118 HydrophobicContact CD1-CD1 4.34Å; I111-I118 HydrophobicContact CG1-CD1 3.79Å; I111-I118 HydrophobicContact CG1-CG1 3.89Å |
| 112 | R | 92.1 | Very high | 96.2 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -126.4 | 161.9 | -179.5 | -63.6 | -171.1 | -75.4 | 149.7 | 10.9 | 111 | S3 F25 I110 | S3-R112 VanDerWaalsContact OG-CD 3.3Å; S3-R112 WeakPolarHBondContact OG-CD 3.48Å; F25-R112 VanDerWaalsContact CD2-CZ 3.47Å; I110-R112 WeakPolarHBondContact CG2-O 3.47Å |
| 113 | G | 91 | Very high | 96.2 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 76.9 | -172.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q115 T116 | G113-Q115 VanDerWaalsContact C-N 3.33Å; G113-Q115 PolarHBondContact O-N 3.21Å; G113-T116 VanDerWaalsContact O-CB 3.28Å; G113-T116 WeakPolarHBondContact O-CB 3.43Å; G113-T116 WeakPolarHBondContact O-CG2 3.27Å; G113-T116 PolarHBondContact O-N 2.81Å |
| 114 | P | 91.8 | Very high | 96.2 | Very high | 134 Ų | 134 | 42.6 Ų | 42.6 | 87% | 0.87 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -25.6 | -169.7 | 26.5 | -34.3 | 0 | 0 | 0 | 114 | T116 | P114-T116 VanDerWaalsContact C-N 3.26Å; P114-T116 PolarHBondContact O-N 3.24Å |
| 115 | Q | 93.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 13.9 | -179.8 | -66.9 | 179.5 | -15 | 0 | 0 | 112.7 | L71 G113 | L71-Q115 HydrophobicContact CD1-CB 3.71Å; L71-Q115 HydrophobicContact CD1-CG 3.5Å; G113-Q115 VanDerWaalsContact C-N 3.33Å; G113-Q115 PolarHBondContact O-N 3.21Å |
| 116 | T | 96.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | trans | -61.4 | 149.1 | -174.5 | -175 | 0 | 0 | 0 | 0 | 113.1 | I110 I111 G113 P114 I118 R120 | I110-T116 VanDerWaalsContact O-CA 3.28Å; I110-T116 WeakPolarHBondContact O-CA 3.41Å; I111-T116 PolarHBondContact O-OG1 3Å; G113-T116 VanDerWaalsContact O-CB 3.28Å; G113-T116 WeakPolarHBondContact O-CB 3.43Å; G113-T116 WeakPolarHBondContact O-CG2 3.27Å; G113-T116 PolarHBondContact O-N 2.81Å; P114-T116 VanDerWaalsContact C-N 3.26Å; P114-T116 PolarHBondContact O-N 3.24Å; T116-I118 VanDerWaalsContact C-N 3.3Å; T116-I118 HydrophobicContact CG2-CB 4.12Å; T116-I118 WeakPolarHBondContact OG1-CB 3.09Å; T116-I118 WeakPolarHBondContact OG1-CG1 3.32Å; T116-I118 PolarHBondContact OG1-N 2.79Å; T116-R120 PolarHBondContact O-NE 3.31Å | ||
| 117 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -78.4 | -12.9 | 167.2 | 65.1 | 175.4 | 0 | 0 | 0 | 113.2 | F21 M34 I52 F69 L109 I110 G119 R120 I154 | F21-I117 HydrophobicContact CB-CD1 4.24Å; F21-I117 HydrophobicContact CD1-CD1 3.46Å; F21-I117 VanDerWaalsContact CD1-CD1 3.46Å; F21-I117 HydrophobicContact CE1-CD1 3.91Å; F21-I117 HydrophobicContact CG-CD1 3.84Å; M34-I117 HydrophobicContact CE-CD1 3.85Å; I52-I117 HydrophobicContact CD1-CB 4.06Å; I52-I117 HydrophobicContact CD1-CD1 3.99Å; I52-I117 HydrophobicContact CD1-CG2 3.75Å; F69-I117 HydrophobicContact CD1-CG2 4.41Å; F69-I117 HydrophobicContact CE1-CG2 4.29Å; L109-I117 HydrophobicContact CB-CG2 4.4Å; L109-I117 HydrophobicContact CD1-CD1 4.17Å; L109-I117 HydrophobicContact CD1-CG2 4.48Å; L109-I117 HydrophobicContact CD2-CG2 3.79Å; L109-I117 HydrophobicContact CG-CG2 4.44Å; I110-I117 PolarHBondContact O-N 2.95Å; I117-G119 PolarHBondContact O-N 3.35Å; I117-R120 VanDerWaalsContact O-CB 3.22Å; I117-R120 WeakPolarHBondContact O-CB 3.38Å; I117-R120 WeakPolarHBondContact O-CG 3.38Å; I117-R120 PolarHBondContact O-N 3.32Å; I117-I154 HydrophobicContact CB-CD1 4.16Å; I117-I154 HydrophobicContact CD1-CD1 4.32Å; I117-I154 HydrophobicContact CG1-CD1 4.41Å; I117-I154 HydrophobicContact CG1-CG2 4.43Å | ||
| 118 | I | 98.2 | Very high | 96.6 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 130.5 | 177.8 | -63.5 | -61.3 | 0 | 0 | 0 | 109.5 | I111 T116 R120 I154 R156 | I111-I118 HydrophobicContact CD1-CD1 4.34Å; I111-I118 HydrophobicContact CG1-CD1 3.79Å; I111-I118 HydrophobicContact CG1-CG1 3.89Å; T116-I118 VanDerWaalsContact C-N 3.3Å; T116-I118 HydrophobicContact CG2-CB 4.12Å; T116-I118 WeakPolarHBondContact OG1-CB 3.09Å; T116-I118 WeakPolarHBondContact OG1-CG1 3.32Å; T116-I118 PolarHBondContact OG1-N 2.79Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-I154 HydrophobicContact CD1-CG2 4.07Å; I118-R156 HydrophobicContact CD1-CG 4.28Å; I118-R156 HydrophobicContact CG1-CG 4.44Å; I118-R156 HydrophobicContact CG2-CG 3.91Å |
| 119 | G | 98.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 45 Ų | 45 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 3.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G56 I117 I154 | G56-G119 WeakPolarHBondContact CA-O 3.39Å; G56-G119 PolarHBondContact N-O 2.94Å; I117-G119 PolarHBondContact O-N 3.35Å; G119-I154 PolarHBondContact N-O 3.06Å |
| 120 | R | 98.7 | Very high | 96.9 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 15% | 0.151 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -91.1 | 177.1 | 169.3 | -57.5 | -165.6 | -175.5 | -89.1 | 3.9 | 110.7 | I52 H53 E54 T116 I117 I118 I153 I154 | I52-R120 HydrophobicContact CG2-CB 3.73Å; H53-R120 WeakPolarHBondContact O-CB 3.29Å; E54-R120 WeakPolarHBondContact O-CG 3.3Å; E54-R120 PolarHBondContact O-NH1 2.76Å; T116-R120 PolarHBondContact O-NE 3.31Å; I117-R120 VanDerWaalsContact O-CB 3.22Å; I117-R120 WeakPolarHBondContact O-CB 3.38Å; I117-R120 WeakPolarHBondContact O-CG 3.38Å; I117-R120 PolarHBondContact O-N 3.32Å; I118-R120 VanDerWaalsContact C-N 3.3Å; R120-I153 CarbonylContact O-C 3.42Å; R120-I153 WeakPolarHBondContact O-CA 3.48Å; R120-I154 PolarHBondContact O-N 3.31Å |
| 121 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.3 | -177.7 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | I52 H53 F55 G56 L58 A65 V123 C151 A152 | I52-T121 CarbonylContact C-O 3.59Å; I52-T121 WeakPolarHBondContact CA-O 3.17Å; H53-T121 PolarHBondContact N-O 3.11Å; H53-T121 PolarHBondContact O-N 3.14Å; F55-T121 WeakPolarHBondContact O-CB 3.21Å; F55-T121 PolarHBondContact O-OG1 2.94Å; G56-T121 WeakPolarHBondContact CA-OG1 3.36Å; L58-T121 HydrophobicContact CD2-CG2 3.91Å; A65-T121 HydrophobicContact CB-CG2 3.87Å; T121-V123 HydrophobicContact CG2-CG2 3.81Å; T121-C151 HydrophobicContact CG2-CB 3.67Å; T121-A152 CarbonylContact C-O 3.58Å; T121-A152 WeakPolarHBondContact CA-O 3.48Å |
| 122 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.1 | 166.2 | -176.7 | 66.2 | 0 | 0 | 0 | 109.4 | A7 F9 V19 F21 F50 H51 I52 L89 C151 A152 I154 | A7-L122 HydrophobicContact CB-CB 3.92Å; A7-L122 HydrophobicContact CB-CD2 3.65Å; A7-L122 HydrophobicContact CB-CG 4.49Å; F9-L122 HydrophobicContact CE2-CD2 3.88Å; F9-L122 HydrophobicContact CZ-CB 4.48Å; F9-L122 HydrophobicContact CZ-CD2 3.94Å; F9-L122 HydrophobicContact CZ-CG 4.14Å; V19-L122 HydrophobicContact CB-CD2 3.73Å; V19-L122 HydrophobicContact CG1-CD2 3.94Å; V19-L122 HydrophobicContact CG2-CD2 3.84Å; F21-L122 HydrophobicContact CE2-CD2 4.29Å; F21-L122 HydrophobicContact CZ-CD1 4.24Å; F21-L122 HydrophobicContact CZ-CD2 4.04Å; F50-L122 HydrophobicContact CD1-CD1 4.46Å; F50-L122 HydrophobicContact CD2-CD1 4.16Å; F50-L122 HydrophobicContact CD2-CG 4.45Å; F50-L122 HydrophobicContact CE1-CD1 3.99Å; F50-L122 HydrophobicContact CE2-CD1 3.67Å; F50-L122 HydrophobicContact CE2-CD2 3.68Å; F50-L122 HydrophobicContact CE2-CG 3.69Å; F50-L122 HydrophobicContact CZ-CD1 3.61Å; F50-L122 HydrophobicContact CZ-CD2 3.54Å; F50-L122 HydrophobicContact CZ-CG 3.89Å; H51-L122 CarbonylContact O-C 3.54Å; I52-L122 HydrophobicContact CG1-CD1 4.05Å; L89-L122 HydrophobicContact CD1-CD1 4.27Å; L122-C151 CarbonylContact O-C 3.6Å; L122-C151 WeakPolarHBondContact O-CA 3.45Å; L122-A152 PolarHBondContact N-O 3.12Å; L122-A152 PolarHBondContact O-N 3.34Å; L122-I154 HydrophobicContact CB-CD1 4.41Å; L122-I154 HydrophobicContact CB-CG1 4.22Å |
| 123 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.8 | -176.8 | -179 | 0 | 0 | 0 | 0 | 110.3 | F50 H51 H53 T121 R148 C151 | F50-V123 WeakPolarHBondContact CA-O 3.45Å; H51-V123 PolarHBondContact N-O 3.05Å; H51-V123 PolarHBondContact O-N 2.79Å; H53-V123 HydrophobicContact CB-CG2 4.06Å; H53-V123 VanDerWaalsContact CD2-CB 3.48Å; H53-V123 WeakPolarHBondContact CD2-CB 3.17Å; H53-V123 WeakPolarHBondContact CD2-CG2 3.41Å; T121-V123 HydrophobicContact CG2-CG2 3.81Å; V123-R148 HydrophobicContact CG1-CB 3.81Å; V123-R148 HydrophobicContact CG1-CG 3.79Å; V123-C151 HydrophobicContact CG2-CB 4Å |
| 124 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.8 | 168.1 | -54.8 | 167 | 0 | 0 | 0 | 107.2 | F9 I15 L40 H48 F50 I92 I149 A150 | F9-I124 HydrophobicContact CD1-CD1 4.37Å; F9-I124 HydrophobicContact CE1-CD1 3.8Å; F9-I124 HydrophobicContact CE1-CG1 4.14Å; F9-I124 HydrophobicContact CE2-CD1 4.41Å; F9-I124 HydrophobicContact CZ-CD1 3.83Å; F9-I124 HydrophobicContact CZ-CG1 4.05Å; I15-I124 HydrophobicContact CG2-CD1 4.1Å; L40-I124 HydrophobicContact CD1-CD1 3.51Å; H48-I124 HydrophobicContact CB-CG2 3.88Å; F50-I124 HydrophobicContact CD2-CG1 3.88Å; F50-I124 HydrophobicContact CE2-CG1 4.01Å; I92-I124 HydrophobicContact CD1-CD1 4.21Å; I92-I124 HydrophobicContact CD1-CG1 4.12Å; I92-I124 HydrophobicContact CD1-CG2 3.95Å; I124-I149 HydrophobicContact CB-CG1 4.11Å; I124-I149 HydrophobicContact CG2-CD1 3.82Å; I124-I149 HydrophobicContact CG2-CG1 3.84Å; I124-I149 VanDerWaalsContact O-CG1 3.3Å; I124-I149 WeakPolarHBondContact O-CG1 3.4Å; I124-I149 PolarHBondContact O-N 2.94Å; I124-A150 HydrophobicContact CD1-CB 4.35Å; I124-A150 PolarHBondContact N-O 3.47Å; I124-A150 PolarHBondContact O-N 2.83Å |
| 125 | H | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 163 | -178.2 | -74.6 | -100.1 | 0 | 0 | 0 | 112.9 | H48 G49 H51 H53 A145 G146 G147 I149 | H48-H125 WeakPolarHBondContact CB-O 3.42Å; H48-H125 PolarHBondContact ND1-O 3.33Å; G49-H125 WeakPolarHBondContact O-CB 3.45Å; G49-H125 PolarHBondContact O-N 3.47Å; H51-H125 AromaticContact CE1-CD2 3.79Å; H51-H125 AromaticContact CE1-NE2 3.92Å; H51-H125 AromaticContact ND1-CD2 3.2Å; H51-H125 PolarHBondContact ND1-CD2 3.4Å; H51-H125 AromaticContact ND1-CE1 4Å; H51-H125 AromaticContact ND1-NE2 3.06Å; H51-H125 PolarHBondContact ND1-NE2 2.66Å; H53-H125 AromaticContact NE2-CE1 3.87Å; H53-H125 AromaticContact NE2-NE2 3.26Å; H53-H125 PolarHBondContact NE2-NE2 3.36Å; H125-A145 HydrophobicContact CB-CB 3.56Å; H125-A145 WeakPolarHBondContact CB-O 3.37Å; H125-G146 PolarHBondContact ND1-O 2.75Å; H125-G146 VanDerWaalsContact ND1-O 3.15Å; H125-G147 CarbonylContact C-O 3.51Å; H125-G147 WeakPolarHBondContact CA-O 3.45Å; H125-I149 WeakPolarHBondContact O-CD1 3.17Å |
| 126 | E | 98.2 | Very high | 98.3 | Very high | 116 Ų | 116 | 47.6 Ų | 47.6 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.6 | -36.3 | -178.5 | -177.4 | -177.3 | -170.4 | 0 | 0 | 113.1 | H48 G147 I149 | H48-E126 PolarHBondContact CE1-O 2.93Å; H48-E126 PolarHBondContact ND1-O 3.13Å; E126-G147 PolarHBondContact N-O 2.75Å; E126-G147 PolarHBondContact OE2-N 3.34Å; E126-I149 HydrophobicContact CB-CG2 3.84Å; E126-I149 HydrophobicContact CG-CG2 4.35Å |
| 127 | R | 98.6 | Very high | 98.3 | Very high | 131 Ų | 131 | 52.9 Ų | 52.9 | 49% | 0.494 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -120.7 | 169.5 | -173.2 | -53.4 | -174.2 | -64.6 | -174.7 | -1.1 | 111.4 | R47 H48 G49 N144 A145 | R47-R127 CarbonylContact O-C 3.57Å; H48-R127 WeakPolarHBondContact CA-O 3.19Å; G49-R127 PolarHBondContact N-O 2.82Å; R127-N144 VanDerWaalsContact CZ-O 3.26Å; R127-N144 PolarHBondContact NE-O 3.33Å; R127-N144 PolarHBondContact NH2-O 2.85Å; R127-A145 WeakPolarHBondContact CA-O 3.22Å; R127-A145 WeakPolarHBondContact CB-O 3.36Å; R127-A145 PolarHBondContact N-O 3.33Å |
| 128 | E | 98.8 | Very high | 98.3 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | trans | -59.9 | 134 | 168.3 | -179.5 | 163.2 | -160.7 | 0 | 0 | 110.1 | R47 N91 | R47-E128 HydrophobicContact CB-CB 3.85Å; R47-E128 HydrophobicContact CB-CG 3.95Å; R47-E128 WeakPolarHBondContact CD-OE1 3.42Å; R47-E128 WeakPolarHBondContact CD-OE2 3.46Å; R47-E128 IonicContact CZ-OE1 2.66Å; R47-E128 IonicContact NE-OE1 3.69Å; R47-E128 IonicContact NH1-OE1 3.27Å; R47-E128 PolarHBondContact NH1-OE1 3.03Å; R47-E128 PolarHBondContact O-N 2.93Å; N91-E128 WeakPolarHBondContact OD1-CA 3.23Å | ||
| 129 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -74.7 | 123.5 | 165.2 | 170.2 | 9.6 | 0 | 0 | 0 | 109.3 | H51 H76 N91 L131 G143 A145 | H51-D129 IonicContact CE1-OD2 3.96Å; H51-D129 IonicContact NE2-OD2 3.69Å; H51-D129 PolarHBondContact NE2-OD2 3.46Å; H76-D129 IonicContact CE1-OD1 3.87Å; H76-D129 PolarHBondContact CE1-OD1 2.75Å; H76-D129 IonicContact CE1-OD2 3.68Å; H76-D129 PolarHBondContact CE1-OD2 3.04Å; H76-D129 VanDerWaalsContact CE1-OD2 3.23Å; H76-D129 IonicContact NE2-OD1 3.23Å; H76-D129 PolarHBondContact NE2-OD1 3.19Å; H76-D129 IonicContact NE2-OD2 3.11Å; H76-D129 PolarHBondContact NE2-OD2 3.36Å; N91-D129 PolarHBondContact ND2-O 3.21Å; N91-D129 PolarHBondContact OD1-N 2.7Å; D129-L131 HydrophobicContact CB-CD2 4.41Å; D129-L131 PolarHBondContact O-N 2.88Å; D129-L131 WeakPolarHBondContact OD1-CA 3.43Å; D129-L131 PolarHBondContact OD1-N 3.43Å; D129-L131 WeakPolarHBondContact OD2-CD2 3.48Å; D129-G143 CarbonylContact C-O 3.38Å; D129-G143 WeakPolarHBondContact CA-O 3.3Å; D129-G143 VanDerWaalsContact OD1-CA 3.23Å; D129-G143 WeakPolarHBondContact OD1-CA 3.34Å; D129-A145 HydrophobicContact CB-CB 4.19Å | ||
| 130 | D | 98.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | trans | -75.9 | -2.3 | 178.6 | 74.3 | 28.8 | 0 | 0 | 0 | 114.5 | G132 R133 G134 S139 G143 N144 | D130-G132 VanDerWaalsContact C-N 3.27Å; D130-G132 PolarHBondContact O-N 3.46Å; D130-G132 WeakPolarHBondContact OD1-CA 3.39Å; D130-G132 PolarHBondContact OD1-N 3.47Å; D130-R133 WeakPolarHBondContact O-CB 3.47Å; D130-R133 PolarHBondContact O-N 3.1Å; D130-R133 VanDerWaalsContact O-N 3.13Å; D130-R133 PolarHBondContact OD1-N 3.23Å; D130-G134 WeakPolarHBondContact OD2-CA 3.18Å; D130-G134 PolarHBondContact OD2-N 2.99Å; D130-S139 WeakPolarHBondContact OD1-CB 3.3Å; D130-S139 PolarHBondContact OD1-OG 2.84Å; D130-S139 WeakPolarHBondContact OD2-CB 3.48Å; D130-S139 PolarHBondContact OD2-OG 3.48Å; D130-G143 VanDerWaalsContact CG-O 3.27Å; D130-G143 PolarHBondContact N-O 3.2Å; D130-G143 WeakPolarHBondContact OD1-CA 3.47Å; D130-N144 WeakPolarHBondContact OD2-CB 3.06Å; D130-N144 PolarHBondContact OD2-ND2 3.44Å | ||
| 131 | L | 98.5 | Very high | 98.3 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 29 | 174.3 | -47.2 | 176.6 | 0 | 0 | 0 | 113.9 | A78 D129 R133 | A78-L131 HydrophobicContact CB-CB 3.84Å; A78-L131 HydrophobicContact CB-CD1 4.08Å; A78-L131 HydrophobicContact CB-CD2 4.43Å; A78-L131 HydrophobicContact CB-CG 4.35Å; A78-L131 PolarHBondContact N-O 2.03Å; D129-L131 HydrophobicContact CB-CD2 4.41Å; D129-L131 PolarHBondContact O-N 2.88Å; D129-L131 WeakPolarHBondContact OD1-CA 3.43Å; D129-L131 PolarHBondContact OD1-N 3.43Å; D129-L131 WeakPolarHBondContact OD2-CD2 3.48Å; L131-R133 VanDerWaalsContact C-N 3.35Å |
| 132 | G | 98.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 17.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H76 D130 S139 | H76-G132 PolarHBondContact CD2-N 3.45Å; D130-G132 VanDerWaalsContact C-N 3.27Å; D130-G132 PolarHBondContact O-N 3.46Å; D130-G132 WeakPolarHBondContact OD1-CA 3.39Å; D130-G132 PolarHBondContact OD1-N 3.47Å; G132-S139 WeakPolarHBondContact CA-OG 3.21Å |
| 133 | R | 98 | Very high | 98.2 | Very high | 202 Ų | 202 | 61.3 Ų | 61.3 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | trans | -115.1 | 9.7 | -173.8 | -56.2 | -175.5 | 176.8 | -172.9 | -1.5 | 114.4 | D130 L131 G135 S139 | D130-R133 WeakPolarHBondContact O-CB 3.47Å; D130-R133 PolarHBondContact O-N 3.1Å; D130-R133 VanDerWaalsContact O-N 3.13Å; D130-R133 PolarHBondContact OD1-N 3.23Å; L131-R133 VanDerWaalsContact C-N 3.35Å; R133-G135 VanDerWaalsContact C-N 3.28Å; R133-G135 PolarHBondContact O-N 3.11Å; R133-S139 PolarHBondContact N-OG 3.11Å; R133-S139 VanDerWaalsContact N-OG 3.13Å | ||
| 134 | G | 97.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -71.8 | -18.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D130 S139 | D130-G134 WeakPolarHBondContact OD2-CA 3.18Å; D130-G134 PolarHBondContact OD2-N 2.99Å; G134-S139 PolarHBondContact N-OG 2.75Å |
| 135 | G | 97.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 63 Ų | 63 | 84% | 0.835 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 82.9 | 11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | R133 | R133-G135 VanDerWaalsContact C-N 3.28Å; R133-G135 PolarHBondContact O-N 3.11Å |
| 136 | D | 98 | Very high | 98.2 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -122.3 | 174.5 | 173.8 | 66 | 38.1 | 0 | 0 | 0 | 112.3 | E138 S139 N144 | D136-E138 VanDerWaalsContact C-N 3.28Å; D136-E138 PolarHBondContact O-N 3.13Å; D136-E138 PolarHBondContact OD1-N 3.46Å; D136-S139 WeakPolarHBondContact O-CB 3.36Å; D136-S139 WeakPolarHBondContact OD1-CB 3.37Å; D136-S139 PolarHBondContact OD1-N 2.86Å; D136-N144 PolarHBondContact OD1-ND2 2.8Å; D136-N144 PolarHBondContact OD2-ND2 2.92Å |
| 137 | Q | 97.6 | Very high | 98.1 | Very high | 138 Ų | 138 | 60.4 Ų | 60.4 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.1 | -178.5 | -69.5 | -64.8 | -51.9 | 0 | 0 | 113.5 | K141 | Q137-K141 WeakPolarHBondContact O-CG 3.49Š|
| 138 | E | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -34 | -179.2 | -171.7 | 59.3 | -156.8 | 0 | 0 | 110.6 | D136 L140 K141 T142 G143 N144 | D136-E138 VanDerWaalsContact C-N 3.28Å; D136-E138 PolarHBondContact O-N 3.13Å; D136-E138 PolarHBondContact OD1-N 3.46Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.43Å; E138-K141 PolarHBondContact O-N 2.64Å; E138-T142 WeakPolarHBondContact CG-OG1 3.22Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 2.73Å; E138-T142 WeakPolarHBondContact OE1-CB 3.48Å; E138-T142 WeakPolarHBondContact OE1-CG2 3.4Å; E138-T142 PolarHBondContact OE1-OG1 2.89Å; E138-G143 PolarHBondContact O-N 3.03Å; E138-N144 WeakPolarHBondContact CB-OD1 3.49Å; E138-N144 WeakPolarHBondContact CG-OD1 3.49Å |
| 139 | S | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -52.5 | -46.4 | 169.3 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | H76 D130 G132 R133 G134 D136 K141 G143 N144 | H76-S139 PolarHBondContact CD2-O 2.88Å; D130-S139 WeakPolarHBondContact OD1-CB 3.3Å; D130-S139 PolarHBondContact OD1-OG 2.84Å; D130-S139 WeakPolarHBondContact OD2-CB 3.48Å; D130-S139 PolarHBondContact OD2-OG 3.48Å; G132-S139 WeakPolarHBondContact CA-OG 3.21Å; R133-S139 PolarHBondContact N-OG 3.11Å; R133-S139 VanDerWaalsContact N-OG 3.13Å; G134-S139 PolarHBondContact N-OG 2.75Å; D136-S139 WeakPolarHBondContact O-CB 3.36Å; D136-S139 WeakPolarHBondContact OD1-CB 3.37Å; D136-S139 PolarHBondContact OD1-N 2.86Å; S139-K141 PolarHBondContact O-N 3.33Å; S139-K141 VanDerWaalsContact O-N 3.13Å; S139-G143 WeakPolarHBondContact O-CA 3.36Å; S139-G143 PolarHBondContact O-N 2.59Å; S139-G143 VanDerWaalsContact O-N 3.1Å; S139-N144 WeakPolarHBondContact CB-ND2 3.44Å; S139-N144 PolarHBondContact N-ND2 2.93Å |
| 140 | L | 97.8 | Very high | 98 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71 | -2.9 | 177.6 | -62.1 | 179.7 | 0 | 0 | 0 | 114.5 | N75 H76 E138 | N75-L140 HydrophobicContact CB-CB 4.16Å; N75-L140 HydrophobicContact CB-CD2 4.32Å; N75-L140 WeakPolarHBondContact CB-O 3.36Å; H76-L140 WeakPolarHBondContact CB-O 3.11Å; H76-L140 PolarHBondContact N-O 3.11Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.43Å |
| 141 | K | 97.8 | Very high | 98 | Very high | 117 Ų | 117 | 54 Ų | 54 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -116.7 | -45.1 | -180 | -68.4 | 176.6 | -175.7 | 175.9 | 0 | 113.4 | H85 Q137 E138 S139 | H85-K141 PolarHBondContact CE1-O 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.49Å; E138-K141 PolarHBondContact O-N 2.64Å; S139-K141 PolarHBondContact O-N 3.33Å; S139-K141 VanDerWaalsContact O-N 3.13Å |
| 142 | T | 98.1 | Very high | 98 | Very high | 38 Ų | 38 | 52 Ų | 52 | 23% | 0.233 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -132.8 | -0.4 | -169.7 | 67.6 | 0 | 0 | 0 | 0 | 113 | E138 N144 A145 | E138-T142 WeakPolarHBondContact CG-OG1 3.22Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 2.73Å; E138-T142 WeakPolarHBondContact OE1-CB 3.48Å; E138-T142 WeakPolarHBondContact OE1-CG2 3.4Å; E138-T142 PolarHBondContact OE1-OG1 2.89Å; T142-N144 PolarHBondContact O-N 3.47Å; T142-N144 PolarHBondContact OG1-N 3.32Å; T142-A145 PolarHBondContact O-N 3.43Å |
| 143 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 18.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H76 D129 D130 E138 S139 A145 | H76-G143 PolarHBondContact CD2-N 3.13Å; H76-G143 WeakPolarHBondContact NE2-CA 3.49Å; D129-G143 CarbonylContact C-O 3.38Å; D129-G143 WeakPolarHBondContact CA-O 3.3Å; D129-G143 VanDerWaalsContact OD1-CA 3.23Å; D129-G143 WeakPolarHBondContact OD1-CA 3.34Å; D130-G143 VanDerWaalsContact CG-O 3.27Å; D130-G143 PolarHBondContact N-O 3.2Å; D130-G143 WeakPolarHBondContact OD1-CA 3.47Å; E138-G143 PolarHBondContact O-N 3.03Å; S139-G143 WeakPolarHBondContact O-CA 3.36Å; S139-G143 PolarHBondContact O-N 2.59Å; S139-G143 VanDerWaalsContact O-N 3.1Å; G143-A145 PolarHBondContact O-N 3.07Å |
| 144 | N | 98.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 21.1 | -174.7 | -74.8 | -59.2 | 0 | 0 | 0 | 114.9 | R127 D130 D136 E138 S139 T142 G146 | R127-N144 VanDerWaalsContact CZ-O 3.26Å; R127-N144 PolarHBondContact NE-O 3.33Å; R127-N144 PolarHBondContact NH2-O 2.85Å; D130-N144 WeakPolarHBondContact OD2-CB 3.06Å; D130-N144 PolarHBondContact OD2-ND2 3.44Å; D136-N144 PolarHBondContact OD1-ND2 2.8Å; D136-N144 PolarHBondContact OD2-ND2 2.92Å; E138-N144 WeakPolarHBondContact CB-OD1 3.49Å; E138-N144 WeakPolarHBondContact CG-OD1 3.49Å; S139-N144 WeakPolarHBondContact CB-ND2 3.44Å; S139-N144 PolarHBondContact N-ND2 2.93Å; T142-N144 PolarHBondContact O-N 3.47Å; T142-N144 PolarHBondContact OG1-N 3.32Å; N144-G146 PolarHBondContact O-N 3Å |
| 145 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -67.9 | -9.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H125 R127 D129 T142 G143 | H125-A145 HydrophobicContact CB-CB 3.56Å; H125-A145 WeakPolarHBondContact CB-O 3.37Å; R127-A145 WeakPolarHBondContact CA-O 3.22Å; R127-A145 WeakPolarHBondContact CB-O 3.36Å; R127-A145 PolarHBondContact N-O 3.33Å; D129-A145 HydrophobicContact CB-CB 4.19Å; T142-A145 PolarHBondContact O-N 3.43Å; G143-A145 PolarHBondContact O-N 3.07Å | ||
| 146 | G | 97.9 | Very high | 98.1 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | trans | 75.9 | -148.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H125 N144 | H125-G146 PolarHBondContact ND1-O 2.75Å; H125-G146 VanDerWaalsContact ND1-O 3.15Å; N144-G146 PolarHBondContact O-N 3Å | ||
| 147 | G | 97.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 48 Ų | 48 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -61.5 | 164.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H125 E126 | H125-G147 CarbonylContact C-O 3.51Å; H125-G147 WeakPolarHBondContact CA-O 3.45Å; E126-G147 PolarHBondContact N-O 2.75Å; E126-G147 PolarHBondContact OE2-N 3.34Å |
| 148 | R | 97.9 | Very high | 97.7 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 103.3 | 179.1 | -55.6 | 178.6 | -167.4 | -162.9 | -4.1 | 109.3 | C62 T63 G66 V123 | C62-R148 HydrophobicContact CB-CB 3.56Å; C62-R148 HydrophobicContact CB-CG 4.29Å; C62-R148 VanDerWaalsContact O-CD 3.32Å; C62-R148 WeakPolarHBondContact O-CD 3.44Å; C62-R148 PolarHBondContact O-NH1 2.81Å; T63-R148 PolarHBondContact O-NH1 3.35Å; G66-R148 VanDerWaalsContact O-CZ 3.29Å; G66-R148 PolarHBondContact O-NH1 3.13Å; G66-R148 PolarHBondContact O-NH2 2.82Å; V123-R148 HydrophobicContact CG1-CB 3.81Å; V123-R148 HydrophobicContact CG1-CG 3.79Å |
| 149 | I | 97.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -28.5 | -171.5 | 60.9 | 174.3 | 0 | 0 | 0 | 112.9 | N13 I15 V43 P44 I124 H125 E126 | N13-I149 PolarHBondContact ND2-O 3.34Å; N13-I149 VanDerWaalsContact ND2-O 3.17Å; I15-I149 HydrophobicContact CD1-CB 4.14Å; I15-I149 HydrophobicContact CD1-CD1 3.69Å; I15-I149 HydrophobicContact CD1-CG1 3.75Å; V43-I149 HydrophobicContact CG1-CD1 4.36Å; P44-I149 HydrophobicContact CG-CD1 4.45Å; I124-I149 HydrophobicContact CB-CG1 4.11Å; I124-I149 HydrophobicContact CG2-CD1 3.82Å; I124-I149 HydrophobicContact CG2-CG1 3.84Å; I124-I149 VanDerWaalsContact O-CG1 3.3Å; I124-I149 WeakPolarHBondContact O-CG1 3.4Å; I124-I149 PolarHBondContact O-N 2.94Å; H125-I149 WeakPolarHBondContact O-CD1 3.17Å; E126-I149 HydrophobicContact CB-CG2 3.84Å; E126-I149 HydrophobicContact CG-CG2 4.35Å |
| 150 | A | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 154.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F9 I15 I124 | F9-A150 HydrophobicContact CD1-CB 3.76Å; F9-A150 HydrophobicContact CE1-CB 3.9Å; I15-A150 HydrophobicContact CB-CB 3.88Å; I15-A150 HydrophobicContact CD1-CB 3.75Å; I15-A150 HydrophobicContact CG1-CB 4.4Å; I15-A150 HydrophobicContact CG2-CB 3.86Å; I124-A150 HydrophobicContact CD1-CB 4.35Å; I124-A150 PolarHBondContact N-O 3.47Å; I124-A150 PolarHBondContact O-N 2.83Å |
| 151 | C | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 152.1 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | L58 C62 T121 L122 V123 | L58-C151 HydrophobicContact CD2-CB 4.23Å; L58-C151 VanDerWaalsContact CD2-SG 3.53Å; C62-C151 WeakPolarHBondContact CA-SG 3.41Å; C62-C151 HydrophobicContact CB-CB 3.69Å; C62-C151 WeakPolarHBondContact CB-SG 3.3Å; C62-C151 WeakPolarHBondContact SG-CB 3.18Å; C62-C151 PolarHBondContact SG-N 3.05Å; C62-C151 CovalentContact SG-SG 2.03Å; C62-C151 PolarHBondContact SG-SG 2.84Å; T121-C151 HydrophobicContact CG2-CB 3.67Å; L122-C151 CarbonylContact O-C 3.6Å; L122-C151 WeakPolarHBondContact O-CA 3.45Å; V123-C151 HydrophobicContact CG2-CB 4Å |
| 152 | A | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 139.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | A7 Y8 F9 T121 L122 | A7-A152 HydrophobicContact CB-CB 4.03Å; Y8-A152 VanDerWaalsContact O-CB 3.25Å; Y8-A152 WeakPolarHBondContact O-CB 3.11Å; F9-A152 HydrophobicContact CD1-CB 4.07Å; F9-A152 HydrophobicContact CD2-CB 4.27Å; F9-A152 HydrophobicContact CE1-CB 4.07Å; F9-A152 HydrophobicContact CE2-CB 4.24Å; F9-A152 HydrophobicContact CG-CB 4.19Å; F9-A152 HydrophobicContact CZ-CB 4.15Å; T121-A152 CarbonylContact C-O 3.58Å; T121-A152 WeakPolarHBondContact CA-O 3.48Å; L122-A152 PolarHBondContact N-O 3.12Å; L122-A152 PolarHBondContact O-N 3.34Å |
| 153 | I | 98.6 | Very high | 97.6 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.1 | 174.2 | -62.4 | 173.2 | 0 | 0 | 0 | 109.1 | G56 L58 R120 G155 | G56-I153 VanDerWaalsContact O-CD1 3.3Å; G56-I153 WeakPolarHBondContact O-CD1 3.42Å; L58-I153 HydrophobicContact CD1-CD1 4.31Å; L58-I153 HydrophobicContact CD1-CG1 3.93Å; L58-I153 HydrophobicContact CG-CD1 4.36Å; L58-I153 HydrophobicContact CG-CG1 4.17Å; R120-I153 CarbonylContact O-C 3.42Å; R120-I153 WeakPolarHBondContact O-CA 3.48Å; I153-G155 PolarHBondContact O-N 3.45Å |
| 154 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 99.5 | 175.4 | -53.5 | 169.9 | 0 | 0 | 0 | 108.3 | V6 A7 F21 I52 I117 I118 G119 R120 L122 | V6-I154 CarbonylContact O-C 3.53Å; V6-I154 WeakPolarHBondContact O-CA 3.5Å; A7-I154 HydrophobicContact CB-CG1 4.2Å; F21-I154 HydrophobicContact CD2-CG2 3.92Å; F21-I154 HydrophobicContact CE2-CD1 4.15Å; F21-I154 HydrophobicContact CE2-CG1 4.08Å; F21-I154 HydrophobicContact CE2-CG2 4.06Å; F21-I154 HydrophobicContact CZ-CD1 4.03Å; F21-I154 HydrophobicContact CZ-CG1 4.42Å; I52-I154 HydrophobicContact CD1-CD1 3.83Å; I52-I154 HydrophobicContact CG1-CD1 4.01Å; I52-I154 HydrophobicContact CG2-CD1 3.97Å; I117-I154 HydrophobicContact CB-CD1 4.16Å; I117-I154 HydrophobicContact CD1-CD1 4.32Å; I117-I154 HydrophobicContact CG1-CD1 4.41Å; I117-I154 HydrophobicContact CG1-CG2 4.43Å; I118-I154 HydrophobicContact CD1-CG2 4.07Å; G119-I154 PolarHBondContact N-O 3.06Å; R120-I154 PolarHBondContact O-N 3.31Å; L122-I154 HydrophobicContact CB-CD1 4.41Å; L122-I154 HydrophobicContact CB-CG1 4.22Å |
| 155 | G | 98.4 | Very high | 97.4 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 165.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G5 V6 I153 | G5-G155 CarbonylContact C-O 3.5Å; G5-G155 WeakPolarHBondContact CA-O 3.39Å; V6-G155 PolarHBondContact N-O 3.48Å; V6-G155 PolarHBondContact O-N 3.33Å; I153-G155 PolarHBondContact O-N 3.45Å |
| 156 | R | 97.6 | Very high | 97.4 | Very high | 208 Ų | 208 | 53.2 Ų | 53.2 | 79% | 0.785 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 140.7 | 166.4 | -71.4 | -172.5 | 169.6 | -170.1 | -1.7 | 109.8 | I118 | I118-R156 HydrophobicContact CD1-CG 4.28Å; I118-R156 HydrophobicContact CG1-CG 4.44Å; I118-R156 HydrophobicContact CG2-CG 3.91Å |
| 157 | A | 96.7 | Very high | 97.3 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 21% | 0.207 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R4 V6 | R4-A157 HydrophobicContact CB-CB 3.83Å; R4-A157 PolarHBondContact O-N 3.44Å; V6-A157 HydrophobicContact CB-CB 4.18Å; V6-A157 HydrophobicContact CG1-CB 3.99Å |
| 158 | P | 89.7 | Confident | 97.3 | Very high | 154 Ų | 154 | 56.7 Ų | 56.7 | 100% | 1 | 30% | 0.301 | S | S | * | . | trans | -61.7 | 0 | 172.5 | 28.5 | -35 | 0 | 0 | 0 | 111.7 | R4 | R4-P158 PolarHBondContact NE-O 3.45Å; R4-P158 PolarHBondContact NH2-O 2.79Å; R4-P158 PolarHBondContact NH2-OXT 3.27Å |
Retrieved 158 of 158 residues in 153.6 ms
(Link to these results)