| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.8 | Very low | 72 | Confident | 244 Ų | 244 | 127.4 Ų | 127.4 | 100% | 1.202 | 66% | 0.657 | S | S | * | * | 0 | 95.2 | 0 | -68.2 | -60.9 | -155.3 | 0 | 0 | 109.4 | G3 | M1-G3 PolarHBondContact O-N 3.22Å; M1-G3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | S | 57.2 | Low | 74.1 | Confident | 129 Ų | 129 | 127.6 Ų | 127.6 | 90% | 0.902 | 64% | 0.643 | S | S | * | * | trans | -77.3 | 97.9 | 179 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | G | 60.5 | Low | 75.8 | Confident | 62 Ų | 62 | 118.8 Ų | 118.8 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | trans | -61.8 | 147.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 K5 | M1-G3 PolarHBondContact O-N 3.22Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-K5 PolarHBondContact O-N 3.46Å | ||
| 4 | R | 63.4 | Low | 77.4 | Confident | 242 Ų | 242 | 117.4 Ų | 117.4 | 91% | 0.913 | 60% | 0.595 | S | S | * | * | trans | -56.3 | 112.2 | 174.7 | -80.1 | -179.3 | 178.9 | 174.1 | 0.2 | 109.6 | ||||
| 5 | K | 65.7 | Low | 78.8 | Confident | 185 Ų | 185 | 110 Ų | 110 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | trans | -79 | 127.3 | 175.6 | -160.6 | 176.3 | -173.6 | 178.9 | 0 | 108.8 | G3 M7 | G3-K5 PolarHBondContact O-N 3.46Å; K5-M7 PolarHBondContact O-N 3.2Å | ||
| 6 | I | 72.3 | Confident | 80 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 29% | 0.287 | 56% | 0.559 | S | S | . | * | trans | -72 | 133.2 | 175.3 | -65.4 | 161.6 | 0 | 0 | 0 | 109.9 | V8 S70 V71 T72 | I6-V8 HydrophobicContact CB-CG2 4.4Å; I6-V8 HydrophobicContact CG2-CG2 3.48Å; I6-V8 VanDerWaalsContact CG2-CG2 3.48Å; I6-V8 PolarHBondContact O-N 3.48Å; I6-S70 WeakPolarHBondContact CD1-O 3.34Å; I6-S70 VanDerWaalsContact CG1-O 3.28Å; I6-S70 WeakPolarHBondContact CG1-O 3.33Å; I6-S70 PolarHBondContact N-O 3.33Å; I6-S70 VanDerWaalsContact N-O 3.16Å; I6-V71 VanDerWaalsContact CD1-C 3.41Å; I6-V71 VanDerWaalsContact CD1-CA 3.42Å; I6-T72 HydrophobicContact CD1-CG2 3.38Å | ||
| 7 | M | 77 | Confident | 81.1 | Confident | 189 Ų | 189 | 104.4 Ų | 104.4 | 93% | 0.931 | 53% | 0.527 | S | S | * | . | trans | -87.3 | 94.2 | 170.5 | -165.2 | 163.1 | 66.9 | 0 | 0 | 109.3 | K5 | K5-M7 PolarHBondContact O-N 3.2Š| ||
| 8 | V | 86.4 | Confident | 82 | Confident | 28 Ų | 28 | 101.7 Ų | 101.7 | 17% | 0.17 | 51% | 0.513 | C | S | . | . | trans | -103.6 | 130.9 | 168.6 | -164.9 | 0 | 0 | 0 | 0 | 108 | I6 A10 A68 | I6-V8 HydrophobicContact CB-CG2 4.4Å; I6-V8 HydrophobicContact CG2-CG2 3.48Å; I6-V8 VanDerWaalsContact CG2-CG2 3.48Å; I6-V8 PolarHBondContact O-N 3.48Å; V8-A10 PolarHBondContact O-N 2.82Å; V8-A68 HydrophobicContact CB-CB 4.27Å; V8-A68 HydrophobicContact CG2-CB 4.31Å | ||
| 9 | H | 83.2 | Confident | 82.9 | Confident | 174 Ų | 174 | 97.3 Ų | 97.3 | 81% | 0.806 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -61.4 | -27.5 | 177.4 | -172 | -57.2 | 0 | 0 | 0 | 112.7 | ||
| 10 | A | 87.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 95.4 Ų | 95.4 | 3% | 0.025 | 49% | 0.489 | C | S | . | . | trans | -101.5 | 94 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | V8 H79 | V8-A10 PolarHBondContact O-N 2.82Å; A10-H79 PolarHBondContact O-CE1 3.17Å; A10-H79 VanDerWaalsContact O-CE1 3.24Å | ||
| 11 | T | 93.6 | Very high | 84.2 | Confident | 89 Ų | 89 | 100.8 Ų | 100.8 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -75.4 | -44.9 | 175.1 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | K67 A68 | T11-K67 CarbonylContact O-C 3.44Å; T11-K67 WeakPolarHBondContact O-CA 3.38Å; T11-A68 PolarHBondContact O-N 3.19Å |
| 12 | W | 96.5 | Very high | 86.6 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.3 | 173.4 | -66.7 | 96.4 | 0 | 0 | 0 | 109.5 | L65 I66 K67 S82 | W12-L65 HydrophobicContact CE3-CD1 3.97Å; W12-L65 HydrophobicContact CE3-CD2 3.96Å; W12-L65 HydrophobicContact CE3-CG 3.87Å; W12-L65 HydrophobicContact CZ3-CD2 3.7Å; W12-L65 HydrophobicContact CZ3-CG 3.95Å; W12-I66 WeakPolarHBondContact CA-O 3.36Å; W12-K67 HydrophobicContact CD2-CB 4.49Å; W12-K67 HydrophobicContact CD2-CG 4.28Å; W12-K67 HydrophobicContact CE3-CB 3.99Å; W12-K67 HydrophobicContact CE3-CG 4.22Å; W12-K67 HydrophobicContact CH2-CB 4.1Å; W12-K67 HydrophobicContact CH2-CD 3.58Å; W12-K67 HydrophobicContact CH2-CG 3.84Å; W12-K67 HydrophobicContact CZ2-CD 3.73Å; W12-K67 HydrophobicContact CZ2-CG 3.85Å; W12-K67 HydrophobicContact CZ3-CB 3.8Å; W12-K67 HydrophobicContact CZ3-CD 4.16Å; W12-K67 HydrophobicContact CZ3-CG 4.01Å; W12-S82 WeakPolarHBondContact CZ3-OG 3.38Å |
| 13 | A | 97 | Very high | 88.5 | Confident | 13 Ų | 13 | 94.9 Ų | 94.9 | 11% | 0.107 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 153.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V30 I66 | A13-V30 HydrophobicContact CB-CG1 4.11Å; A13-V30 HydrophobicContact CB-CG2 4.04Å; A13-I66 HydrophobicContact CB-CD1 4.09Å; A13-I66 HydrophobicContact CB-CG1 3.8Å; A13-I66 PolarHBondContact N-O 3.47Å; A13-I66 WeakPolarHBondContact O-CG1 3.29Å; A13-I66 PolarHBondContact O-N 3.23Å |
| 14 | I | 97.9 | Very high | 90.2 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.4 | 171.2 | -65.4 | 170.8 | 0 | 0 | 0 | 108 | I63 V64 L65 | I14-I63 HydrophobicContact CG2-CG2 3.53Å; I14-V64 WeakPolarHBondContact CA-O 3.48Å; I14-L65 HydrophobicContact CD1-CD1 4.47Å; I14-L65 HydrophobicContact CG1-CD1 3.72Å |
| 15 | G | 97.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 86.9 Ų | 86.9 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 169.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R29 I63 V64 | G15-R29 CarbonylContact C-O 3.59Å; G15-R29 WeakPolarHBondContact CA-O 3.22Å; G15-I63 WeakPolarHBondContact O-CA 3.4Å; G15-V64 PolarHBondContact N-O 3.37Å; G15-V64 WeakPolarHBondContact O-CG2 3.35Å; G15-V64 PolarHBondContact O-N 3.4Å |
| 16 | K | 98.4 | Very high | 93.4 | Very high | 123 Ų | 123 | 78.1 Ų | 78.1 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.1 | 177.6 | -175 | 173.1 | -176.3 | 170 | 0 | 110.7 | I18 V28 R29 G61 D62 | K16-I18 PolarHBondContact O-N 3.5Å; K16-V28 CarbonylContact O-C 3.53Å; K16-R29 PolarHBondContact N-O 3Å; K16-R29 PolarHBondContact O-N 3.42Å; K16-G61 WeakPolarHBondContact CE-O 3.49Å; K16-D62 CarbonylContact C-O 3.48Å; K16-D62 VanDerWaalsContact CA-O 3.3Å; K16-D62 WeakPolarHBondContact CA-O 3.45Å |
| 17 | V | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 79.6 Ų | 79.6 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.7 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | T20 A26 V28 C58 T59 G61 D62 V64 | V17-T20 HydrophobicContact CG1-CG2 3.76Å; V17-A26 HydrophobicContact CG1-CB 4.49Å; V17-V28 HydrophobicContact CG2-CG2 4.24Å; V17-C58 HydrophobicContact CG1-CB 4.48Å; V17-C58 HydrophobicContact CG2-CB 4.24Å; V17-T59 WeakPolarHBondContact CB-O 3.5Å; V17-T59 WeakPolarHBondContact CG1-O 3.27Å; V17-G61 PolarHBondContact O-N 3.46Å; V17-D62 HydrophobicContact CB-CB 4.47Å; V17-D62 HydrophobicContact CG2-CB 4Å; V17-D62 PolarHBondContact N-O 3.23Å; V17-V64 HydrophobicContact CG2-CB 4.46Å; V17-V64 HydrophobicContact CG2-CG1 3.71Å; V17-V64 HydrophobicContact CG2-CG2 3.84Å |
| 18 | I | 98.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 70.6 Ų | 70.6 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -34.2 | 176.1 | -47.7 | 167.6 | 0 | 0 | 0 | 110.8 | K16 K27 R29 T48 V60 | K16-I18 PolarHBondContact O-N 3.5Å; I18-K27 PolarHBondContact N-O 2.89Å; I18-R29 HydrophobicContact CD1-CB 3.62Å; I18-R29 HydrophobicContact CD1-CG 4.15Å; I18-R29 HydrophobicContact CG1-CB 3.68Å; I18-T48 HydrophobicContact CD1-CG2 3.83Å; I18-V60 WeakPolarHBondContact O-CG1 3.49Å |
| 19 | G | 97.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 73.9 Ų | 73.9 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 145.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K27 | G19-K27 PolarHBondContact N-O 3.18Å; G19-K27 WeakPolarHBondContact O-CB 3.47Å; G19-K27 PolarHBondContact O-N 3.48Å |
| 20 | T | 97.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 19.8 | -175.1 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | V17 M22 C58 V60 | V17-T20 HydrophobicContact CG1-CG2 3.76Å; T20-M22 PolarHBondContact O-N 3.01Å; T20-M22 VanDerWaalsContact O-N 3.15Å; T20-C58 HydrophobicContact CG2-CB 4.21Å; T20-C58 WeakPolarHBondContact CG2-O 3.44Å; T20-V60 HydrophobicContact CG2-CG2 4.45Å |
| 21 | K | 97.1 | Very high | 97.4 | Very high | 209 Ų | 209 | 69.6 Ų | 69.6 | 91% | 0.909 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -11.9 | -177.9 | -65.8 | -173.2 | 175.8 | -173.6 | 0 | 114 | ||
| 22 | M | 95.9 | Very high | 97.6 | Very high | 96 Ų | 96 | 70.3 Ų | 70.3 | 47% | 0.473 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.3 | -177.3 | -64.4 | 174.5 | 64.9 | 0 | 0 | 109.8 | T20 K24 T25 F50 | T20-M22 PolarHBondContact O-N 3.01Å; T20-M22 VanDerWaalsContact O-N 3.15Å; M22-K24 PolarHBondContact O-N 3.5Å; M22-T25 HydrophobicContact CE-CG2 4.2Å; M22-T25 PolarHBondContact O-N 3.35Å; M22-T25 HydrophobicContact SD-CG2 4.49Å; M22-F50 HydrophobicContact CE-CD1 4.45Å; M22-F50 HydrophobicContact CE-CE1 4.42Å; M22-F50 HydrophobicContact SD-CD1 3.97Å; M22-F50 HydrophobicContact SD-CE1 3.65Å |
| 23 | Q | 96.4 | Very high | 97.6 | Very high | 154 Ų | 154 | 69.5 Ų | 69.5 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 130.9 | 176.2 | -60.7 | -66.4 | -44.8 | 0 | 0 | 110.5 | T25 | Q23-T25 PolarHBondContact O-N 3.5Å; Q23-T25 PolarHBondContact O-OG1 2.97Å |
| 24 | K | 96.7 | Very high | 97.7 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 28 | 177.9 | -57.5 | -176.2 | 179.5 | -177.9 | 0 | 114.8 | M22 H52 D53 E56 | M22-K24 PolarHBondContact O-N 3.5Å; K24-H52 PolarHBondContact O-ND1 3.29Å; K24-D53 CarbonylContact C-O 3.2Å; K24-D53 WeakPolarHBondContact CA-O 3.16Å; K24-D53 VanDerWaalsContact CB-O 3.29Å; K24-D53 WeakPolarHBondContact CB-O 3.3Å; K24-D53 PolarHBondContact O-N 3.48Å; K24-E56 HydrophobicContact CG-CG 4.22Å; K24-E56 WeakPolarHBondContact CG-OE1 3.28Å; K24-E56 PolarHBondContact N-OE1 3.05Å |
| 25 | T | 97.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 70.7 Ų | 70.7 | 13% | 0.129 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 122.2 | -173.7 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | M22 Q23 F50 V51 V77 | M22-T25 HydrophobicContact CE-CG2 4.2Å; M22-T25 PolarHBondContact O-N 3.35Å; M22-T25 HydrophobicContact SD-CG2 4.49Å; Q23-T25 PolarHBondContact O-N 3.5Å; Q23-T25 PolarHBondContact O-OG1 2.97Å; T25-F50 HydrophobicContact CG2-CB 4.15Å; T25-F50 HydrophobicContact CG2-CD1 4.19Å; T25-V51 CarbonylContact C-O 3.5Å; T25-V51 VanDerWaalsContact CA-O 3.25Å; T25-V51 WeakPolarHBondContact CA-O 3.48Å; T25-V51 WeakPolarHBondContact CG2-O 3.3Å; T25-V77 HydrophobicContact CG2-CG2 4.18Å |
| 26 | A | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V17 V28 V51 C58 | V17-A26 HydrophobicContact CG1-CB 4.49Å; A26-V28 HydrophobicContact CB-CG2 4.32Å; A26-V51 PolarHBondContact N-O 2.8Å; A26-V51 PolarHBondContact O-N 3.26Å; A26-C58 HydrophobicContact CB-CB 4.13Å |
| 27 | K | 98.3 | Very high | 97.6 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.1 | 170.9 | -174.6 | 177.2 | -177.1 | 173.7 | 0 | 109.2 | I18 G19 F50 | I18-K27 PolarHBondContact N-O 2.89Å; G19-K27 PolarHBondContact N-O 3.18Å; G19-K27 WeakPolarHBondContact O-CB 3.47Å; G19-K27 PolarHBondContact O-N 3.48Å; K27-F50 HydrophobicContact CB-CE1 4.46Å; K27-F50 HydrophobicContact CG-CE1 4.35Å |
| 28 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.5 | -173.6 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | K16 V17 A26 T48 Y49 V51 V64 I66 | K16-V28 CarbonylContact O-C 3.53Å; V17-V28 HydrophobicContact CG2-CG2 4.24Å; A26-V28 HydrophobicContact CB-CG2 4.32Å; V28-T48 CarbonylContact O-C 3.54Å; V28-T48 VanDerWaalsContact O-CA 3.3Å; V28-T48 WeakPolarHBondContact O-CA 3.49Å; V28-Y49 PolarHBondContact N-O 3.42Å; V28-Y49 PolarHBondContact O-N 3.28Å; V28-V51 HydrophobicContact CB-CG2 3.92Å; V28-V51 HydrophobicContact CG2-CB 4.18Å; V28-V51 HydrophobicContact CG2-CG2 3.54Å; V28-V64 HydrophobicContact CB-CG2 4.5Å; V28-V64 HydrophobicContact CG1-CG2 3.83Å; V28-V64 HydrophobicContact CG2-CG2 3.79Å; V28-I66 HydrophobicContact CG1-CG2 4.42Å |
| 29 | R | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 81.1 Ų | 81.1 | 36% | 0.362 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 114.8 | 171.1 | -159.3 | 170.4 | -79.2 | 163.1 | -1.3 | 109.6 | G15 K16 I18 R46 | G15-R29 CarbonylContact C-O 3.59Å; G15-R29 WeakPolarHBondContact CA-O 3.22Å; K16-R29 PolarHBondContact N-O 3Å; K16-R29 PolarHBondContact O-N 3.42Å; I18-R29 HydrophobicContact CD1-CB 3.62Å; I18-R29 HydrophobicContact CD1-CG 4.15Å; I18-R29 HydrophobicContact CG1-CB 3.68Å; R29-R46 HydrophobicContact CG-CB 3.99Å |
| 30 | V | 98 | Very high | 97.6 | Very high | 6 Ų | 6 | 86.4 Ų | 86.4 | 4% | 0.036 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.9 | 167.2 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | A13 R32 R46 K47 Y49 I66 | A13-V30 HydrophobicContact CB-CG1 4.11Å; A13-V30 HydrophobicContact CB-CG2 4.04Å; V30-R32 HydrophobicContact CG1-CG 4.39Å; V30-R46 CarbonylContact O-C 3.54Å; V30-R46 WeakPolarHBondContact O-CA 3.48Å; V30-K47 PolarHBondContact N-O 3.12Å; V30-K47 PolarHBondContact O-N 2.95Å; V30-Y49 HydrophobicContact CB-CD2 3.9Å; V30-Y49 HydrophobicContact CB-CE2 3.86Å; V30-Y49 HydrophobicContact CG1-CE2 4.5Å; V30-Y49 HydrophobicContact CG2-CD2 3.55Å; V30-Y49 HydrophobicContact CG2-CE2 3.9Å; V30-I66 HydrophobicContact CG2-CD1 4.02Å |
| 31 | T | 97.3 | Very high | 97.6 | Very high | 82 Ų | 82 | 89.4 Ų | 89.4 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.9 | 174.1 | 55.2 | 0 | 0 | 0 | 0 | 109 | R46 | T31-R46 HydrophobicContact CG2-CB 4.24Å |
| 32 | R | 96.6 | Very high | 97.6 | Very high | 103 Ų | 103 | 86.4 Ų | 86.4 | 39% | 0.389 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.9 | 175.4 | -61.7 | -177 | -179.6 | -167.1 | -5.5 | 108.3 | V30 K45 | V30-R32 HydrophobicContact CG1-CG 4.39Å; R32-K45 PolarHBondContact N-O 3.47Å; R32-K45 PolarHBondContact O-N 3.09Å |
| 33 | L | 97.8 | Very high | 97.7 | Very high | 113 Ų | 113 | 86.6 Ų | 86.6 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.2 | 171.4 | -65.5 | 172.4 | 0 | 0 | 0 | 108.9 | Y42 N44 | L33-Y42 HydrophobicContact CB-CD1 3.98Å; L33-Y42 HydrophobicContact CB-CG 4.47Å; L33-N44 WeakPolarHBondContact CD2-OD1 3.25Å |
| 34 | V | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 85.1 Ų | 85.1 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.9 | 175 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | Y43 K45 | V34-Y43 PolarHBondContact N-O 3.39Å; V34-Y43 PolarHBondContact O-N 2.96Å; V34-K45 HydrophobicContact CB-CB 4.24Å; V34-K45 HydrophobicContact CB-CD 4.5Å; V34-K45 HydrophobicContact CG2-CB 3.63Å; V34-K45 HydrophobicContact CG2-CD 3.84Å; V34-K45 HydrophobicContact CG2-CG 4.38Å |
| 35 | L | 98.2 | Very high | 97.9 | Very high | 74 Ų | 74 | 86.3 Ų | 86.3 | 39% | 0.387 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.3 | 176.6 | -176.2 | 65.6 | 0 | 0 | 0 | 109.4 | L40 Y42 | L35-L40 VanDerWaalsContact CD1-C 3.46Å; L35-L40 HydrophobicContact CD2-CD2 4.47Å; L35-Y42 HydrophobicContact CB-CD1 4.14Å; L35-Y42 HydrophobicContact CB-CE1 3.84Å; L35-Y42 HydrophobicContact CD1-CD2 4.36Å; L35-Y42 HydrophobicContact CD1-CE1 4.34Å; L35-Y42 HydrophobicContact CD1-CE2 4.16Å |
| 36 | D | 98 | Very high | 97.8 | Very high | 53 Ų | 53 | 93.8 Ų | 93.8 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.9 | 163.4 | -172.2 | -58.8 | 0 | 0 | 0 | 108.8 | N38 L39 L40 K41 Y43 | D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.18Å; D36-N38 WeakPolarHBondContact OD1-CB 3.35Å; D36-N38 PolarHBondContact OD1-N 3.2Å; D36-L39 HydrophobicContact CB-CB 4.49Å; D36-L39 PolarHBondContact OD1-N 3.35Å; D36-L40 VanDerWaalsContact O-CA 3.25Å; D36-L40 WeakPolarHBondContact O-CA 3.26Å; D36-L40 PolarHBondContact O-N 3.49Å; D36-K41 PolarHBondContact N-O 3.35Å; D36-Y43 HydrophobicContact CB-CD2 3.96Å; D36-Y43 HydrophobicContact CB-CE2 3.89Å |
| 37 | P | 97.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 99.9 Ų | 99.9 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.4 | -175.2 | 28.5 | -35 | 0 | 0 | 0 | 113.4 | ||
| 38 | N | 97.6 | Very high | 97.8 | Very high | 143 Ų | 143 | 99 Ų | 99 | 77% | 0.765 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -42.3 | -177.8 | -65.4 | -16 | 0 | 0 | 0 | 111.1 | D36 | D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.18Å; D36-N38 WeakPolarHBondContact OD1-CB 3.35Å; D36-N38 PolarHBondContact OD1-N 3.2Å |
| 39 | L | 97.6 | Very high | 97.7 | Very high | 109 Ų | 109 | 100.3 Ų | 100.3 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.1 | -177.5 | -76.4 | 76.9 | 0 | 0 | 0 | 113.2 | D36 K41 Y43 | D36-L39 HydrophobicContact CB-CB 4.49Å; D36-L39 PolarHBondContact OD1-N 3.35Å; L39-K41 HydrophobicContact CB-CB 4.35Å; L39-K41 PolarHBondContact O-N 3.41Å; L39-K41 VanDerWaalsContact O-N 3.12Å; L39-Y43 WeakPolarHBondContact CD2-OH 3.44Å |
| 40 | L | 97.5 | Very high | 97.7 | Very high | 130 Ų | 130 | 98.1 Ų | 98.1 | 68% | 0.681 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33.9 | -173.1 | -60.4 | 175.6 | 0 | 0 | 0 | 113.2 | L35 D36 | L35-L40 VanDerWaalsContact CD1-C 3.46Å; L35-L40 HydrophobicContact CD2-CD2 4.47Å; D36-L40 VanDerWaalsContact O-CA 3.25Å; D36-L40 WeakPolarHBondContact O-CA 3.26Å; D36-L40 PolarHBondContact O-N 3.49Å |
| 41 | K | 98.3 | Very high | 97.6 | Very high | 122 Ų | 122 | 97.9 Ų | 97.9 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.3 | 179.4 | -178.2 | 169.7 | 175.4 | 178.7 | 0 | 110.5 | D36 L39 Y43 | D36-K41 PolarHBondContact N-O 3.35Å; L39-K41 HydrophobicContact CB-CB 4.35Å; L39-K41 PolarHBondContact O-N 3.41Å; L39-K41 VanDerWaalsContact O-N 3.12Å; K41-Y43 HydrophobicContact CB-CE2 3.78Å; K41-Y43 HydrophobicContact CD-CE1 4.37Å; K41-Y43 HydrophobicContact CD-CE2 4.28Å; K41-Y43 HydrophobicContact CG-CE2 3.91Å; K41-Y43 VanDerWaalsContact O-CD2 3.28Å; K41-Y43 WeakPolarHBondContact O-CD2 3.25Å |
| 42 | Y | 98.4 | Very high | 97.6 | Very high | 145 Ų | 145 | 94.8 Ų | 94.8 | 57% | 0.569 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 132.6 | 175.3 | -71.4 | -82.3 | 0 | 0 | 0 | 111.4 | L33 L35 | L33-Y42 HydrophobicContact CB-CD1 3.98Å; L33-Y42 HydrophobicContact CB-CG 4.47Å; L35-Y42 HydrophobicContact CB-CD1 4.14Å; L35-Y42 HydrophobicContact CB-CE1 3.84Å; L35-Y42 HydrophobicContact CD1-CD2 4.36Å; L35-Y42 HydrophobicContact CD1-CE1 4.34Å; L35-Y42 HydrophobicContact CD1-CE2 4.16Å |
| 43 | Y | 98.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 90.3 Ų | 90.3 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.5 | 174.9 | -65.8 | -87.4 | 0 | 0 | 0 | 111.4 | V34 D36 L39 K41 K45 | V34-Y43 PolarHBondContact N-O 3.39Å; V34-Y43 PolarHBondContact O-N 2.96Å; D36-Y43 HydrophobicContact CB-CD2 3.96Å; D36-Y43 HydrophobicContact CB-CE2 3.89Å; L39-Y43 WeakPolarHBondContact CD2-OH 3.44Å; K41-Y43 HydrophobicContact CB-CE2 3.78Å; K41-Y43 HydrophobicContact CD-CE1 4.37Å; K41-Y43 HydrophobicContact CD-CE2 4.28Å; K41-Y43 HydrophobicContact CG-CE2 3.91Å; K41-Y43 VanDerWaalsContact O-CD2 3.28Å; K41-Y43 WeakPolarHBondContact O-CD2 3.25Å; Y43-K45 PolarHBondContact O-N 3.39Å |
| 44 | N | 97.9 | Very high | 97.6 | Very high | 122 Ų | 122 | 87.6 Ų | 87.6 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 103.6 | 178.3 | -72.9 | -30.6 | 0 | 0 | 0 | 110.9 | L33 | L33-N44 WeakPolarHBondContact CD2-OD1 3.25Å |
| 45 | K | 97.7 | Very high | 97.5 | Very high | 141 Ų | 141 | 90.7 Ų | 90.7 | 61% | 0.613 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.7 | 170 | -165 | 171.5 | -172.1 | 168.9 | 0 | 109.9 | R32 V34 Y43 | R32-K45 PolarHBondContact N-O 3.47Å; R32-K45 PolarHBondContact O-N 3.09Å; V34-K45 HydrophobicContact CB-CB 4.24Å; V34-K45 HydrophobicContact CB-CD 4.5Å; V34-K45 HydrophobicContact CG2-CB 3.63Å; V34-K45 HydrophobicContact CG2-CD 3.84Å; V34-K45 HydrophobicContact CG2-CG 4.38Å; Y43-K45 PolarHBondContact O-N 3.39Å |
| 46 | R | 97.4 | Very high | 97.4 | Very high | 178 Ų | 178 | 91.9 Ų | 91.9 | 67% | 0.672 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 141.7 | -179.4 | 65.2 | -170.6 | -179.8 | -158.5 | 0.5 | 112.1 | R29 V30 T31 | R29-R46 HydrophobicContact CG-CB 3.99Å; V30-R46 CarbonylContact O-C 3.54Å; V30-R46 WeakPolarHBondContact O-CA 3.48Å; T31-R46 HydrophobicContact CG2-CB 4.24Å |
| 47 | K | 97.1 | Very high | 97.3 | Very high | 129 Ų | 129 | 94.1 Ų | 94.1 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.5 | 169.3 | -175.3 | 167.6 | 176.4 | 175.9 | 0 | 109.8 | V30 Y49 | V30-K47 PolarHBondContact N-O 3.12Å; V30-K47 PolarHBondContact O-N 2.95Å; K47-Y49 HydrophobicContact CB-CE2 3.94Å; K47-Y49 HydrophobicContact CD-CE2 3.96Å; K47-Y49 HydrophobicContact CG-CD2 4.35Å; K47-Y49 HydrophobicContact CG-CE2 3.73Å |
| 48 | T | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 89.8 Ų | 89.8 | 42% | 0.423 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.3 | 178.2 | 52.7 | 0 | 0 | 0 | 0 | 111 | I18 V28 | I18-T48 HydrophobicContact CD1-CG2 3.83Å; V28-T48 CarbonylContact O-C 3.54Å; V28-T48 VanDerWaalsContact O-CA 3.3Å; V28-T48 WeakPolarHBondContact O-CA 3.49Å |
| 49 | Y | 97.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 85.6 Ų | 85.6 | 11% | 0.106 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.1 | 176.2 | -69.5 | -88.8 | 0 | 0 | 0 | 109.4 | V28 V30 K47 I66 H79 | V28-Y49 PolarHBondContact N-O 3.42Å; V28-Y49 PolarHBondContact O-N 3.28Å; V30-Y49 HydrophobicContact CB-CD2 3.9Å; V30-Y49 HydrophobicContact CB-CE2 3.86Å; V30-Y49 HydrophobicContact CG1-CE2 4.5Å; V30-Y49 HydrophobicContact CG2-CD2 3.55Å; V30-Y49 HydrophobicContact CG2-CE2 3.9Å; K47-Y49 HydrophobicContact CB-CE2 3.94Å; K47-Y49 HydrophobicContact CD-CE2 3.96Å; K47-Y49 HydrophobicContact CG-CD2 4.35Å; K47-Y49 HydrophobicContact CG-CE2 3.73Å; Y49-I66 HydrophobicContact CG-CD1 4.3Å; Y49-H79 AromaticContact CD1-CD2 3.42Å; Y49-H79 VanDerWaalsContact CD1-CD2 3.42Å; Y49-H79 WeakPolarHBondContact CD1-CD2 3.5Å; Y49-H79 AromaticContact CD1-NE2 3.15Å; Y49-H79 WeakPolarHBondContact CD1-NE2 3.38Å; Y49-H79 AromaticContact CE1-NE2 3.41Å; Y49-H79 WeakPolarHBondContact CE1-NE2 3.32Å |
| 50 | F | 97.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 84.4 Ų | 84.4 | 22% | 0.219 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.5 | 169.2 | -66.3 | -82.3 | 0 | 0 | 0 | 108.9 | M22 T25 K27 H76 V77 | M22-F50 HydrophobicContact CE-CD1 4.45Å; M22-F50 HydrophobicContact CE-CE1 4.42Å; M22-F50 HydrophobicContact SD-CD1 3.97Å; M22-F50 HydrophobicContact SD-CE1 3.65Å; T25-F50 HydrophobicContact CG2-CB 4.15Å; T25-F50 HydrophobicContact CG2-CD1 4.19Å; K27-F50 HydrophobicContact CB-CE1 4.46Å; K27-F50 HydrophobicContact CG-CE1 4.35Å; F50-H76 HydrophobicContact CD2-CB 3.61Å; F50-H76 HydrophobicContact CE2-CB 4.05Å; F50-H76 HydrophobicContact CG-CB 4.39Å; F50-V77 HydrophobicContact CB-CG2 4Å |
| 51 | V | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.7 | -170.5 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | T25 A26 V28 D53 I66 H79 E80 L81 | T25-V51 CarbonylContact C-O 3.5Å; T25-V51 VanDerWaalsContact CA-O 3.25Å; T25-V51 WeakPolarHBondContact CA-O 3.48Å; T25-V51 WeakPolarHBondContact CG2-O 3.3Å; A26-V51 PolarHBondContact N-O 2.8Å; A26-V51 PolarHBondContact O-N 3.26Å; V28-V51 HydrophobicContact CB-CG2 3.92Å; V28-V51 HydrophobicContact CG2-CB 4.18Å; V28-V51 HydrophobicContact CG2-CG2 3.54Å; V51-D53 PolarHBondContact O-N 3.08Å; V51-I66 HydrophobicContact CB-CG2 4.43Å; V51-I66 HydrophobicContact CG1-CG2 3.95Å; V51-I66 HydrophobicContact CG2-CB 4.23Å; V51-I66 HydrophobicContact CG2-CD1 4.3Å; V51-I66 HydrophobicContact CG2-CG2 3.6Å; V51-H79 WeakPolarHBondContact CA-O 3.41Å; V51-H79 HydrophobicContact CG2-CB 4.22Å; V51-E80 VanDerWaalsContact CG1-C 3.42Å; V51-L81 HydrophobicContact CG1-CB 3.93Å |
| 52 | H | 97.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 73.2 Ų | 73.2 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125 | 171.9 | -173.9 | 46.5 | 0 | 0 | 0 | 109.5 | K24 R73 V77 H79 L81 | K24-H52 PolarHBondContact O-ND1 3.29Å; H52-R73 VanDerWaalsContact NE2-CZ 3.29Å; H52-R73 PolarHBondContact NE2-NH1 3.5Å; H52-R73 VanDerWaalsContact NE2-NH1 3.12Å; H52-V77 HydrophobicContact CB-CG1 3.92Å; H52-H79 PolarHBondContact N-O 2.95Å; H52-L81 PolarHBondContact O-N 3.26Å |
| 53 | D | 97 | Very high | 97.3 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | trans | -123.2 | 105.9 | 173.8 | 179.5 | -4 | 0 | 0 | 0 | 107 | K24 V51 L55 E56 Q57 C58 L81 | K24-D53 CarbonylContact C-O 3.2Å; K24-D53 WeakPolarHBondContact CA-O 3.16Å; K24-D53 VanDerWaalsContact CB-O 3.29Å; K24-D53 WeakPolarHBondContact CB-O 3.3Å; K24-D53 PolarHBondContact O-N 3.48Å; V51-D53 PolarHBondContact O-N 3.08Å; D53-L55 VanDerWaalsContact C-N 3.31Å; D53-L55 PolarHBondContact O-N 2.91Å; D53-L55 PolarHBondContact OD1-N 3.11Å; D53-E56 PolarHBondContact OD1-N 3.25Å; D53-E56 WeakPolarHBondContact OD2-CA 3.47Å; D53-Q57 PolarHBondContact OD2-N 2.8Å; D53-C58 WeakPolarHBondContact OD2-CB 3.25Å; D53-C58 PolarHBondContact OD2-N 2.96Å; D53-C58 PolarHBondContact OD2-SG 2.64Å; D53-L81 HydrophobicContact CB-CB 4.49Å; D53-L81 HydrophobicContact CB-CD2 4.24Å | ||
| 54 | A | 95.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -70.5 | -29.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 55 | L | 96.8 | Very high | 97.4 | Very high | 130 Ų | 130 | 60.5 Ų | 60.5 | 68% | 0.681 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -105.8 | -1 | -172.1 | -61.7 | 175.9 | 0 | 0 | 0 | 112.5 | D53 Q57 | D53-L55 VanDerWaalsContact C-N 3.31Å; D53-L55 PolarHBondContact O-N 2.91Å; D53-L55 PolarHBondContact OD1-N 3.11Å; L55-Q57 HydrophobicContact CB-CG 3.7Å; L55-Q57 PolarHBondContact O-N 2.91Å |
| 56 | E | 96.4 | Very high | 97.3 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | trans | 53.6 | 36 | -179.7 | -60.1 | -176.1 | 168.6 | 0 | 0 | 112.9 | K24 D53 C58 | K24-E56 HydrophobicContact CG-CG 4.22Å; K24-E56 WeakPolarHBondContact CG-OE1 3.28Å; K24-E56 PolarHBondContact N-OE1 3.05Å; D53-E56 PolarHBondContact OD1-N 3.25Å; D53-E56 WeakPolarHBondContact OD2-CA 3.47Å; E56-C58 VanDerWaalsContact C-N 3.34Å | ||
| 57 | Q | 96 | Very high | 97.3 | Very high | 101 Ų | 101 | 49.9 Ų | 49.9 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | trans | -78 | -20.7 | -176.7 | -68.1 | 176.7 | 5.5 | 0 | 0 | 112.7 | D53 L55 I84 K87 | D53-Q57 PolarHBondContact OD2-N 2.8Å; L55-Q57 HydrophobicContact CB-CG 3.7Å; L55-Q57 PolarHBondContact O-N 2.91Å; Q57-I84 HydrophobicContact CB-CD1 3.93Å; Q57-K87 PolarHBondContact O-NZ 2.82Å | ||
| 58 | C | 97.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.054 | 25% | 0.245 | C | C | . | . | trans | -65.3 | 135.8 | -178.3 | -68.5 | 0 | 0 | 0 | 0 | 112 | V17 T20 A26 D53 E56 L81 | V17-C58 HydrophobicContact CG1-CB 4.48Å; V17-C58 HydrophobicContact CG2-CB 4.24Å; T20-C58 HydrophobicContact CG2-CB 4.21Å; T20-C58 WeakPolarHBondContact CG2-O 3.44Å; A26-C58 HydrophobicContact CB-CB 4.13Å; D53-C58 WeakPolarHBondContact OD2-CB 3.25Å; D53-C58 PolarHBondContact OD2-N 2.96Å; D53-C58 PolarHBondContact OD2-SG 2.64Å; E56-C58 VanDerWaalsContact C-N 3.34Å; C58-L81 WeakPolarHBondContact SG-CD2 3.42Å | ||
| 59 | T | 97.8 | Very high | 97 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | trans | -111.9 | 154.1 | 167.6 | 40.1 | 0 | 0 | 0 | 0 | 111.1 | V17 G61 D62 K87 V88 | V17-T59 WeakPolarHBondContact CB-O 3.5Å; V17-T59 WeakPolarHBondContact CG1-O 3.27Å; T59-G61 PolarHBondContact O-N 3.04Å; T59-D62 PolarHBondContact N-OD2 2.86Å; T59-D62 WeakPolarHBondContact O-CB 3.25Å; T59-D62 VanDerWaalsContact O-CG 3.24Å; T59-D62 PolarHBondContact O-N 3.09Å; T59-D62 PolarHBondContact OG1-OD1 3.23Å; T59-D62 PolarHBondContact OG1-OD2 3.12Å; T59-K87 WeakPolarHBondContact OG1-CE 3.14Å; T59-K87 PolarHBondContact OG1-NZ 2.67Å; T59-V88 WeakPolarHBondContact OG1-CG1 3.34Å | ||
| 60 | V | 98.1 | Very high | 96.6 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 124.6 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 109 | I18 T20 | I18-V60 WeakPolarHBondContact O-CG1 3.49Å; T20-V60 HydrophobicContact CG2-CG2 4.45Å |
| 61 | G | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | K16 V17 T59 | K16-G61 WeakPolarHBondContact CE-O 3.49Å; V17-G61 PolarHBondContact O-N 3.46Å; T59-G61 PolarHBondContact O-N 3.04Å |
| 62 | D | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -61.4 | 148.5 | 178.9 | -66.8 | -4.7 | 0 | 0 | 0 | 112 | K16 V17 T59 V64 I84 Y86 K87 V88 | K16-D62 CarbonylContact C-O 3.48Å; K16-D62 VanDerWaalsContact CA-O 3.3Å; K16-D62 WeakPolarHBondContact CA-O 3.45Å; V17-D62 HydrophobicContact CB-CB 4.47Å; V17-D62 HydrophobicContact CG2-CB 4Å; V17-D62 PolarHBondContact N-O 3.23Å; T59-D62 PolarHBondContact N-OD2 2.86Å; T59-D62 WeakPolarHBondContact O-CB 3.25Å; T59-D62 VanDerWaalsContact O-CG 3.24Å; T59-D62 PolarHBondContact O-N 3.09Å; T59-D62 PolarHBondContact OG1-OD1 3.23Å; T59-D62 PolarHBondContact OG1-OD2 3.12Å; D62-V64 HydrophobicContact CB-CG1 4.07Å; D62-I84 HydrophobicContact CB-CG2 4.32Å; D62-Y86 WeakPolarHBondContact CA-O 3.06Å; D62-K87 IonicContact OD1-NZ 3.99Å; D62-K87 WeakPolarHBondContact OD2-CD 3.49Å; D62-K87 IonicContact OD2-NZ 2.8Å; D62-K87 PolarHBondContact OD2-NZ 2.87Å; D62-V88 WeakPolarHBondContact OD1-CB 3.45Å; D62-V88 VanDerWaalsContact OD1-CG1 3.25Å; D62-V88 WeakPolarHBondContact OD1-CG1 3.46Å; D62-V88 PolarHBondContact OD1-N 2.79Å | ||
| 63 | I | 98.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.5 | 167 | -56.2 | -169.9 | 0 | 0 | 0 | 107.9 | I14 G15 V85 Y86 | I14-I63 HydrophobicContact CG2-CG2 3.53Å; G15-I63 WeakPolarHBondContact O-CA 3.4Å; I63-V85 HydrophobicContact CG2-CB 4.5Å; I63-V85 PolarHBondContact O-N 2.86Å; I63-Y86 HydrophobicContact CB-CD2 3.96Å; I63-Y86 HydrophobicContact CB-CG 4.49Å; I63-Y86 HydrophobicContact CD1-CD2 3.97Å; I63-Y86 HydrophobicContact CG1-CD2 4.38Å; I63-Y86 HydrophobicContact CG2-CD2 4.14Å; I63-Y86 PolarHBondContact N-O 2.8Å; I63-Y86 PolarHBondContact O-N 3.21Å |
| 64 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 143.8 | -171 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | I14 G15 V17 V28 D62 I66 L81 I84 | I14-V64 WeakPolarHBondContact CA-O 3.48Å; G15-V64 PolarHBondContact N-O 3.37Å; G15-V64 WeakPolarHBondContact O-CG2 3.35Å; G15-V64 PolarHBondContact O-N 3.4Å; V17-V64 HydrophobicContact CG2-CB 4.46Å; V17-V64 HydrophobicContact CG2-CG1 3.71Å; V17-V64 HydrophobicContact CG2-CG2 3.84Å; V28-V64 HydrophobicContact CB-CG2 4.5Å; V28-V64 HydrophobicContact CG1-CG2 3.83Å; V28-V64 HydrophobicContact CG2-CG2 3.79Å; D62-V64 HydrophobicContact CB-CG1 4.07Å; V64-I66 HydrophobicContact CG2-CG2 4.04Å; V64-L81 HydrophobicContact CB-CD1 3.7Å; V64-L81 HydrophobicContact CG1-CD1 3.82Å; V64-L81 HydrophobicContact CG2-CD1 4.39Å; V64-I84 HydrophobicContact CG1-CG1 4.18Å; V64-I84 HydrophobicContact CG1-CG2 4.48Å |
| 65 | L | 98.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.9 | 170.1 | -178 | 65.8 | 0 | 0 | 0 | 108.8 | W12 I14 S82 E83 V85 | W12-L65 HydrophobicContact CE3-CD1 3.97Å; W12-L65 HydrophobicContact CE3-CD2 3.96Å; W12-L65 HydrophobicContact CE3-CG 3.87Å; W12-L65 HydrophobicContact CZ3-CD2 3.7Å; W12-L65 HydrophobicContact CZ3-CG 3.95Å; I14-L65 HydrophobicContact CD1-CD1 4.47Å; I14-L65 HydrophobicContact CG1-CD1 3.72Å; L65-S82 WeakPolarHBondContact O-CB 3.47Å; L65-S82 PolarHBondContact O-N 2.92Å; L65-E83 HydrophobicContact CB-CB 4.33Å; L65-E83 PolarHBondContact N-O 2.91Å; L65-E83 PolarHBondContact O-N 3.24Å; L65-V85 HydrophobicContact CB-CG2 3.83Å |
| 66 | I | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.8 | -177.8 | 66.4 | 162.8 | 0 | 0 | 0 | 110.1 | W12 A13 V28 V30 Y49 V51 V64 H79 E80 | W12-I66 WeakPolarHBondContact CA-O 3.36Å; A13-I66 HydrophobicContact CB-CD1 4.09Å; A13-I66 HydrophobicContact CB-CG1 3.8Å; A13-I66 PolarHBondContact N-O 3.47Å; A13-I66 WeakPolarHBondContact O-CG1 3.29Å; A13-I66 PolarHBondContact O-N 3.23Å; V28-I66 HydrophobicContact CG1-CG2 4.42Å; V30-I66 HydrophobicContact CG2-CD1 4.02Å; Y49-I66 HydrophobicContact CG-CD1 4.3Å; V51-I66 HydrophobicContact CB-CG2 4.43Å; V51-I66 HydrophobicContact CG1-CG2 3.95Å; V51-I66 HydrophobicContact CG2-CB 4.23Å; V51-I66 HydrophobicContact CG2-CD1 4.3Å; V51-I66 HydrophobicContact CG2-CG2 3.6Å; V64-I66 HydrophobicContact CG2-CG2 4.04Å; I66-H79 HydrophobicContact CB-CB 4.4Å; I66-H79 HydrophobicContact CD1-CB 4.29Å; I66-E80 WeakPolarHBondContact CA-O 3.46Å |
| 67 | K | 96.3 | Very high | 94.9 | Very high | 96 Ų | 96 | 60.2 Ų | 60.2 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142.4 | 179.9 | -173 | -177.6 | -177.1 | 175.4 | 0 | 110 | T11 W12 H79 E80 | T11-K67 CarbonylContact O-C 3.44Å; T11-K67 WeakPolarHBondContact O-CA 3.38Å; W12-K67 HydrophobicContact CD2-CB 4.49Å; W12-K67 HydrophobicContact CD2-CG 4.28Å; W12-K67 HydrophobicContact CE3-CB 3.99Å; W12-K67 HydrophobicContact CE3-CG 4.22Å; W12-K67 HydrophobicContact CH2-CB 4.1Å; W12-K67 HydrophobicContact CH2-CD 3.58Å; W12-K67 HydrophobicContact CH2-CG 3.84Å; W12-K67 HydrophobicContact CZ2-CD 3.73Å; W12-K67 HydrophobicContact CZ2-CG 3.85Å; W12-K67 HydrophobicContact CZ3-CB 3.8Å; W12-K67 HydrophobicContact CZ3-CD 4.16Å; W12-K67 HydrophobicContact CZ3-CG 4.01Å; K67-H79 CarbonylContact O-C 3.48Å; K67-H79 WeakPolarHBondContact O-CA 3.45Å; K67-H79 WeakPolarHBondContact O-CB 3.46Å; K67-E80 PolarHBondContact N-O 3.16Å; K67-E80 PolarHBondContact O-N 3.18Å |
| 68 | A | 95.8 | Very high | 94.9 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V8 T11 | V8-A68 HydrophobicContact CB-CB 4.27Å; V8-A68 HydrophobicContact CG2-CB 4.31Å; T11-A68 PolarHBondContact O-N 3.19Å |
| 69 | L | 92.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | trans | -73.7 | 146.7 | 171.9 | -75.3 | 165.4 | 0 | 0 | 0 | 110.8 | V71 R73 K78 E80 | L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 VanDerWaalsContact CB-O 3.29Å; L69-V71 WeakPolarHBondContact CB-O 3.3Å; L69-R73 HydrophobicContact CD1-CG 3.74Å; L69-K78 PolarHBondContact N-O 2.97Å; L69-E80 HydrophobicContact CD2-CB 3.72Å; L69-E80 HydrophobicContact CD2-CG 4.41Å; L69-E80 WeakPolarHBondContact CD2-OE2 3.17Å; L69-E80 HydrophobicContact CG-CB 3.93Å | ||
| 70 | S | 89.8 | Confident | 94.8 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67 | -35.3 | 169.8 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | I6 | I6-S70 WeakPolarHBondContact CD1-O 3.34Å; I6-S70 VanDerWaalsContact CG1-O 3.28Å; I6-S70 WeakPolarHBondContact CG1-O 3.33Å; I6-S70 PolarHBondContact N-O 3.33Å; I6-S70 VanDerWaalsContact N-O 3.16Å |
| 71 | V | 88.9 | Confident | 94.8 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -127.1 | 132.8 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | I6 L69 R73 | I6-V71 VanDerWaalsContact CD1-C 3.41Å; I6-V71 VanDerWaalsContact CD1-CA 3.42Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 VanDerWaalsContact CB-O 3.29Å; L69-V71 WeakPolarHBondContact CB-O 3.3Å; V71-R73 PolarHBondContact O-N 2.89Å |
| 72 | T | 88.5 | Confident | 94.8 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | trans | -71 | 126.8 | -179.2 | 44.9 | 0 | 0 | 0 | 0 | 108.5 | I6 K78 | I6-T72 HydrophobicContact CD1-CG2 3.38Å; T72-K78 HydrophobicContact CG2-CG 3.93Å | ||
| 73 | R | 90.5 | Very high | 94.7 | Very high | 158 Ų | 158 | 65.3 Ų | 65.3 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -72.7 | -35.8 | 173.8 | -69.3 | -107.2 | -176.4 | 160.7 | 5.1 | 111.7 | H52 L69 V71 V77 | H52-R73 VanDerWaalsContact NE2-CZ 3.29Å; H52-R73 PolarHBondContact NE2-NH1 3.5Å; H52-R73 VanDerWaalsContact NE2-NH1 3.12Å; L69-R73 HydrophobicContact CD1-CG 3.74Å; V71-R73 PolarHBondContact O-N 2.89Å; R73-V77 HydrophobicContact CB-CB 4.37Å; R73-V77 HydrophobicContact CB-CG1 4.23Å; R73-V77 PolarHBondContact N-O 3.36Å |
| 74 | S | 92.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -152.7 | 176.6 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | H76 V77 | S74-H76 PolarHBondContact O-N 3.04Å; S74-V77 PolarHBondContact O-N 2.87Å |
| 75 | K | 92 | Very high | 94.6 | Very high | 169 Ų | 169 | 66.4 Ų | 66.4 | 74% | 0.735 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -52.7 | -41.6 | 178.9 | -175.2 | 177.2 | -179.4 | 178 | 0 | 112.7 | ||
| 76 | H | 93.9 | Very high | 94.6 | Very high | 115 Ų | 115 | 68.9 Ų | 68.9 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -104.5 | -21.1 | -175.5 | -56.2 | 109.2 | 0 | 0 | 0 | 113.8 | F50 S74 K78 | F50-H76 HydrophobicContact CD2-CB 3.61Å; F50-H76 HydrophobicContact CE2-CB 4.05Å; F50-H76 HydrophobicContact CG-CB 4.39Å; S74-H76 PolarHBondContact O-N 3.04Å; H76-K78 PolarHBondContact O-N 3.19Å |
| 77 | V | 96.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.085 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 94.2 | -177.7 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | T25 F50 H52 R73 S74 | T25-V77 HydrophobicContact CG2-CG2 4.18Å; F50-V77 HydrophobicContact CB-CG2 4Å; H52-V77 HydrophobicContact CB-CG1 3.92Å; R73-V77 HydrophobicContact CB-CB 4.37Å; R73-V77 HydrophobicContact CB-CG1 4.23Å; R73-V77 PolarHBondContact N-O 3.36Å; S74-V77 PolarHBondContact O-N 2.87Å |
| 78 | K | 95.4 | Very high | 94.6 | Very high | 92 Ų | 92 | 70.7 Ų | 70.7 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -8.3 | -179.3 | -56.5 | -173.1 | 179.7 | -176 | 0 | 113.2 | L69 T72 H76 | L69-K78 PolarHBondContact N-O 2.97Å; T72-K78 HydrophobicContact CG2-CG 3.93Å; H76-K78 PolarHBondContact O-N 3.19Å |
| 79 | H | 96.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.019 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.9 | -176.1 | -58.2 | -79.6 | 0 | 0 | 0 | 110.6 | A10 Y49 V51 H52 I66 K67 | A10-H79 PolarHBondContact O-CE1 3.17Å; A10-H79 VanDerWaalsContact O-CE1 3.24Å; Y49-H79 AromaticContact CD1-CD2 3.42Å; Y49-H79 VanDerWaalsContact CD1-CD2 3.42Å; Y49-H79 WeakPolarHBondContact CD1-CD2 3.5Å; Y49-H79 AromaticContact CD1-NE2 3.15Å; Y49-H79 WeakPolarHBondContact CD1-NE2 3.38Å; Y49-H79 AromaticContact CE1-NE2 3.41Å; Y49-H79 WeakPolarHBondContact CE1-NE2 3.32Å; V51-H79 WeakPolarHBondContact CA-O 3.41Å; V51-H79 HydrophobicContact CG2-CB 4.22Å; H52-H79 PolarHBondContact N-O 2.95Å; I66-H79 HydrophobicContact CB-CB 4.4Å; I66-H79 HydrophobicContact CD1-CB 4.29Å; K67-H79 CarbonylContact O-C 3.48Å; K67-H79 WeakPolarHBondContact O-CA 3.45Å; K67-H79 WeakPolarHBondContact O-CB 3.46Å |
| 80 | E | 96.5 | Very high | 94.7 | Very high | 73 Ų | 73 | 82.2 Ų | 82.2 | 34% | 0.341 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.7 | 174.4 | -178.7 | 169.8 | -143.9 | 0 | 0 | 109 | V51 I66 K67 L69 S82 | V51-E80 VanDerWaalsContact CG1-C 3.42Å; I66-E80 WeakPolarHBondContact CA-O 3.46Å; K67-E80 PolarHBondContact N-O 3.16Å; K67-E80 PolarHBondContact O-N 3.18Å; L69-E80 HydrophobicContact CD2-CB 3.72Å; L69-E80 HydrophobicContact CD2-CG 4.41Å; L69-E80 WeakPolarHBondContact CD2-OE2 3.17Å; L69-E80 HydrophobicContact CG-CB 3.93Å; E80-S82 PolarHBondContact O-N 2.96Å |
| 81 | L | 97.6 | Very high | 95 | Very high | 27 Ų | 27 | 80.9 Ų | 80.9 | 14% | 0.141 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 118.8 | 172.9 | -177.9 | 69.2 | 0 | 0 | 0 | 108.3 | V51 H52 D53 C58 V64 I84 | V51-L81 HydrophobicContact CG1-CB 3.93Å; H52-L81 PolarHBondContact O-N 3.26Å; D53-L81 HydrophobicContact CB-CB 4.49Å; D53-L81 HydrophobicContact CB-CD2 4.24Å; C58-L81 WeakPolarHBondContact SG-CD2 3.42Å; V64-L81 HydrophobicContact CB-CD1 3.7Å; V64-L81 HydrophobicContact CG1-CD1 3.82Å; V64-L81 HydrophobicContact CG2-CD1 4.39Å; L81-I84 HydrophobicContact CD2-CG1 4.38Å |
| 82 | S | 97.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 79.5 Ų | 79.5 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -50.1 | 174.3 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | W12 L65 E80 | W12-S82 WeakPolarHBondContact CZ3-OG 3.38Å; L65-S82 WeakPolarHBondContact O-CB 3.47Å; L65-S82 PolarHBondContact O-N 2.92Å; E80-S82 PolarHBondContact O-N 2.96Å |
| 83 | E | 96.6 | Very high | 95.6 | Very high | 116 Ų | 116 | 78 Ų | 78 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 146.6 | -173.4 | -171.2 | 178.5 | 171.7 | 0 | 0 | 110.3 | L65 | L65-E83 HydrophobicContact CB-CB 4.33Å; L65-E83 PolarHBondContact N-O 2.91Å; L65-E83 PolarHBondContact O-N 3.24Å |
| 84 | I | 97.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 75.3 Ų | 75.3 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 101 | 166.6 | -58.7 | 172.6 | 0 | 0 | 0 | 106.9 | Q57 D62 V64 L81 K87 | Q57-I84 HydrophobicContact CB-CD1 3.93Å; D62-I84 HydrophobicContact CB-CG2 4.32Å; V64-I84 HydrophobicContact CG1-CG1 4.18Å; V64-I84 HydrophobicContact CG1-CG2 4.48Å; L81-I84 HydrophobicContact CD2-CG1 4.38Å; I84-K87 HydrophobicContact CD1-CD 4.49Å; I84-K87 HydrophobicContact CG2-CB 4.33Å; I84-K87 HydrophobicContact CG2-CD 4.02Å |
| 85 | V | 97.3 | Very high | 95.8 | Very high | 49 Ų | 49 | 79.7 Ų | 79.7 | 30% | 0.297 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -46.5 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | I63 L65 | I63-V85 HydrophobicContact CG2-CB 4.5Å; I63-V85 PolarHBondContact O-N 2.86Å; L65-V85 HydrophobicContact CB-CG2 3.83Å |
| 86 | Y | 97.5 | Very high | 95.8 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 116.3 | 176.5 | -56.8 | -63.5 | 0 | 0 | 0 | 110.3 | D62 I63 V91 | D62-Y86 WeakPolarHBondContact CA-O 3.06Å; I63-Y86 HydrophobicContact CB-CD2 3.96Å; I63-Y86 HydrophobicContact CB-CG 4.49Å; I63-Y86 HydrophobicContact CD1-CD2 3.97Å; I63-Y86 HydrophobicContact CG1-CD2 4.38Å; I63-Y86 HydrophobicContact CG2-CD2 4.14Å; I63-Y86 PolarHBondContact N-O 2.8Å; I63-Y86 PolarHBondContact O-N 3.21Å; Y86-V91 HydrophobicContact CD1-CG1 3.77Å; Y86-V91 HydrophobicContact CE1-CG1 4.31Å |
| 87 | K | 97.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 71.5 Ų | 71.5 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 132.5 | 174.7 | -166.7 | 71.7 | -176.7 | 165.9 | 0 | 109.9 | Q57 T59 D62 I84 G89 R90 V91 | Q57-K87 PolarHBondContact O-NZ 2.82Å; T59-K87 WeakPolarHBondContact OG1-CE 3.14Å; T59-K87 PolarHBondContact OG1-NZ 2.67Å; D62-K87 IonicContact OD1-NZ 3.99Å; D62-K87 WeakPolarHBondContact OD2-CD 3.49Å; D62-K87 IonicContact OD2-NZ 2.8Å; D62-K87 PolarHBondContact OD2-NZ 2.87Å; I84-K87 HydrophobicContact CD1-CD 4.49Å; I84-K87 HydrophobicContact CG2-CB 4.33Å; I84-K87 HydrophobicContact CG2-CD 4.02Å; K87-G89 PolarHBondContact O-N 2.72Å; K87-R90 HydrophobicContact CB-CB 4.33Å; K87-R90 HydrophobicContact CG-CB 4.36Å; K87-R90 CarbonylContact O-C 3.57Å; K87-R90 PolarHBondContact O-N 2.94Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å |
| 88 | V | 96.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 72.7 Ų | 72.7 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 126.1 | 177 | 70.7 | 0 | 0 | 0 | 0 | 110.3 | T59 D62 R90 | T59-V88 WeakPolarHBondContact OG1-CG1 3.34Å; D62-V88 WeakPolarHBondContact OD1-CB 3.45Å; D62-V88 VanDerWaalsContact OD1-CG1 3.25Å; D62-V88 WeakPolarHBondContact OD1-CG1 3.46Å; D62-V88 PolarHBondContact OD1-N 2.79Å; V88-R90 PolarHBondContact O-N 2.87Å; V88-R90 VanDerWaalsContact O-N 3.16Å |
| 89 | G | 94.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 81% | 0.814 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -5.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K87 | K87-G89 PolarHBondContact O-N 2.72Š|
| 90 | R | 94.8 | Very high | 95.5 | Very high | 203 Ų | 203 | 72.3 Ų | 72.3 | 77% | 0.766 | 41% | 0.411 | S | S | * | . | B | Isolated β-bridge | trans | -135.1 | 60.7 | 176.8 | -64 | -174.6 | -174.6 | -178.7 | 0.9 | 109.7 | K87 V88 | K87-R90 HydrophobicContact CB-CB 4.33Å; K87-R90 HydrophobicContact CG-CB 4.36Å; K87-R90 CarbonylContact O-C 3.57Å; K87-R90 PolarHBondContact O-N 2.94Å; V88-R90 PolarHBondContact O-N 2.87Å; V88-R90 VanDerWaalsContact O-N 3.16Å |
| 91 | V | 96.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 72.1 Ų | 72.1 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.4 | 180 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | Y86 K87 S99 V100 | Y86-V91 HydrophobicContact CD1-CG1 3.77Å; Y86-V91 HydrophobicContact CE1-CG1 4.31Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å; V91-S99 WeakPolarHBondContact O-CA 3.3Å; V91-V100 PolarHBondContact O-N 3.02Å |
| 92 | V | 95.8 | Very high | 95.1 | Very high | 69 Ų | 69 | 74.5 Ų | 74.5 | 42% | 0.418 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.4 | 174 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | G97 K98 | V92-G97 VanDerWaalsContact CG1-C 3.43Å; V92-G97 VanDerWaalsContact CG1-O 3.3Å; V92-G97 WeakPolarHBondContact CG1-O 3.46Å; V92-K98 WeakPolarHBondContact CA-O 3.46Å |
| 93 | D | 94.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 78.2 Ų | 78.2 | 17% | 0.171 | 47% | 0.474 | C | S | . | . | trans | -68.9 | 125 | 174.8 | 169.4 | 31 | 0 | 0 | 0 | 110 | L95 T96 G97 K98 V100 F105 | D93-L95 PolarHBondContact O-N 2.9Å; D93-L95 PolarHBondContact OD1-N 2.81Å; D93-L95 VanDerWaalsContact OD1-N 3.09Å; D93-T96 WeakPolarHBondContact CB-OG1 3.43Å; D93-T96 WeakPolarHBondContact OD2-CB 3.18Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.44Å; D93-T96 PolarHBondContact OD2-N 2.76Å; D93-T96 PolarHBondContact OD2-OG1 3.33Å; D93-G97 VanDerWaalsContact O-CA 3.32Å; D93-G97 WeakPolarHBondContact O-CA 3.41Å; D93-G97 PolarHBondContact O-N 2.86Å; D93-K98 PolarHBondContact N-O 2.88Å; D93-V100 HydrophobicContact CB-CG2 3.73Å; D93-F105 HydrophobicContact CB-CE1 4.09Å | ||
| 94 | P | 94.2 | Very high | 94.7 | Very high | 100 Ų | 100 | 79.5 Ų | 79.5 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19 | 179.2 | 27 | -36.9 | 0 | 0 | 0 | 114 | ||
| 95 | L | 92.8 | Very high | 94.5 | Very high | 158 Ų | 158 | 80.8 Ų | 80.8 | 83% | 0.827 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -45.9 | -179.2 | -61 | -179.9 | 0 | 0 | 0 | 112.4 | D93 | D93-L95 PolarHBondContact O-N 2.9Å; D93-L95 PolarHBondContact OD1-N 2.81Å; D93-L95 VanDerWaalsContact OD1-N 3.09Å |
| 96 | T | 91.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 83 Ų | 83 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -18.1 | -176 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | D93 K98 F105 | D93-T96 WeakPolarHBondContact CB-OG1 3.43Å; D93-T96 WeakPolarHBondContact OD2-CB 3.18Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.44Å; D93-T96 PolarHBondContact OD2-N 2.76Å; D93-T96 PolarHBondContact OD2-OG1 3.33Å; T96-K98 PolarHBondContact O-N 2.86Å; T96-K98 PolarHBondContact OG1-N 2.81Å; T96-F105 HydrophobicContact CG2-CE1 4.36Å; T96-F105 HydrophobicContact CG2-CZ 4.11Å; T96-F105 VanDerWaalsContact OG1-CE1 3.25Å; T96-F105 WeakPolarHBondContact OG1-CE1 3.42Å |
| 97 | G | 91.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 84.7 Ų | 84.7 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | trans | 70.7 | 5.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V92 D93 | V92-G97 VanDerWaalsContact CG1-C 3.43Å; V92-G97 VanDerWaalsContact CG1-O 3.3Å; V92-G97 WeakPolarHBondContact CG1-O 3.46Å; D93-G97 VanDerWaalsContact O-CA 3.32Å; D93-G97 WeakPolarHBondContact O-CA 3.41Å; D93-G97 PolarHBondContact O-N 2.86Å | ||
| 98 | K | 92.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 86.1 Ų | 86.1 | 17% | 0.174 | 52% | 0.524 | C | S | . | . | trans | -90.1 | 154.1 | 178.7 | -68.2 | -176.2 | 175.5 | -165.6 | 0 | 111.4 | V92 D93 T96 F105 L109 | V92-K98 WeakPolarHBondContact CA-O 3.46Å; D93-K98 PolarHBondContact N-O 2.88Å; T96-K98 PolarHBondContact O-N 2.86Å; T96-K98 PolarHBondContact OG1-N 2.81Å; K98-F105 HydrophobicContact CB-CD1 3.91Å; K98-F105 HydrophobicContact CB-CE1 4.23Å; K98-L109 HydrophobicContact CD-CD2 3.51Å | ||
| 99 | S | 95.2 | Very high | 92 | Very high | 61 Ų | 61 | 85.6 Ų | 85.6 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.5 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | V91 V106 | V91-S99 WeakPolarHBondContact O-CA 3.3Å; S99-V106 PolarHBondContact O-N 3.19Å |
| 100 | V | 95.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 84.6 Ų | 84.6 | 16% | 0.158 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.1 | -176 | -176.6 | 0 | 0 | 0 | 0 | 111 | V91 D93 G102 E104 F105 | V91-V100 PolarHBondContact O-N 3.02Å; D93-V100 HydrophobicContact CB-CG2 3.73Å; V100-G102 VanDerWaalsContact CG1-O 3.26Å; V100-G102 WeakPolarHBondContact CG1-O 3.38Å; V100-E104 CarbonylContact C-O 3.59Å; V100-E104 WeakPolarHBondContact CA-O 3.15Å; V100-E104 VanDerWaalsContact CG1-O 3.25Å; V100-E104 WeakPolarHBondContact CG1-O 3.49Å; V100-F105 HydrophobicContact CG2-CD1 3.62Å; V100-F105 HydrophobicContact CG2-CE1 3.66Å |
| 101 | A | 94.4 | Very high | 89.2 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 91.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T103 E104 V106 | A101-T103 PolarHBondContact O-N 3Å; A101-T103 VanDerWaalsContact O-N 3.11Å; A101-E104 PolarHBondContact N-O 2.85Å; A101-E104 PolarHBondContact O-N 2.84Å; A101-V106 HydrophobicContact CB-CG2 4.37Å |
| 102 | G | 91.1 | Very high | 87.4 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -106.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V100 | V100-G102 VanDerWaalsContact CG1-O 3.26Å; V100-G102 WeakPolarHBondContact CG1-O 3.38Å |
| 103 | T | 92.2 | Very high | 85.5 | Confident | 139 Ų | 139 | 82 Ų | 82 | 85% | 0.853 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -10.2 | 178.3 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | A101 | A101-T103 PolarHBondContact O-N 3Å; A101-T103 VanDerWaalsContact O-N 3.11Å |
| 104 | E | 92.8 | Very high | 83.6 | Confident | 143 Ų | 143 | 85.2 Ų | 85.2 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 141.3 | -173.3 | -64.9 | 176.1 | -172.6 | 0 | 0 | 111.1 | V100 A101 | V100-E104 CarbonylContact C-O 3.59Å; V100-E104 WeakPolarHBondContact CA-O 3.15Å; V100-E104 VanDerWaalsContact CG1-O 3.25Å; V100-E104 WeakPolarHBondContact CG1-O 3.49Å; A101-E104 PolarHBondContact N-O 2.85Å; A101-E104 PolarHBondContact O-N 2.84Å |
| 105 | F | 94.4 | Very high | 81.8 | Confident | 66 Ų | 66 | 87.3 Ų | 87.3 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.5 | 170.6 | -68.2 | -77.2 | 0 | 0 | 0 | 110.2 | D93 T96 K98 V100 E107 L109 | D93-F105 HydrophobicContact CB-CE1 4.09Å; T96-F105 HydrophobicContact CG2-CE1 4.36Å; T96-F105 HydrophobicContact CG2-CZ 4.11Å; T96-F105 VanDerWaalsContact OG1-CE1 3.25Å; T96-F105 WeakPolarHBondContact OG1-CE1 3.42Å; K98-F105 HydrophobicContact CB-CD1 3.91Å; K98-F105 HydrophobicContact CB-CE1 4.23Å; V100-F105 HydrophobicContact CG2-CD1 3.62Å; V100-F105 HydrophobicContact CG2-CE1 3.66Å; F105-E107 VanDerWaalsContact C-N 3.26Å; F105-E107 VanDerWaalsContact CB-O 3.22Å; F105-E107 WeakPolarHBondContact CB-O 3.41Å; F105-E107 PolarHBondContact O-N 3.18Å; F105-L109 HydrophobicContact CD1-CD2 4.37Å; F105-L109 HydrophobicContact CD2-CD1 3.99Å; F105-L109 HydrophobicContact CD2-CD2 4.08Å; F105-L109 HydrophobicContact CD2-CG 3.81Å; F105-L109 HydrophobicContact CE1-CD2 4.42Å; F105-L109 HydrophobicContact CE2-CD1 3.6Å; F105-L109 HydrophobicContact CE2-CD2 4.13Å; F105-L109 HydrophobicContact CE2-CG 3.92Å; F105-L109 HydrophobicContact CG-CD2 4.21Å; F105-L109 HydrophobicContact CG-CG 4.35Å; F105-L109 HydrophobicContact CZ-CD1 4.21Å; F105-L109 HydrophobicContact CZ-CD2 4.3Å |
| 106 | V | 91.6 | Very high | 80.3 | Confident | 95 Ų | 95 | 86.2 Ų | 86.2 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -63.9 | -39 | 174.4 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | S99 A101 | S99-V106 PolarHBondContact O-N 3.19Å; A101-V106 HydrophobicContact CB-CG2 4.37Å |
| 107 | E | 87.9 | Confident | 78.7 | Confident | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -112.6 | 123.3 | 173.6 | -69.3 | 173.4 | -176.5 | 0 | 0 | 108.9 | F105 | F105-E107 VanDerWaalsContact C-N 3.26Å; F105-E107 VanDerWaalsContact CB-O 3.22Å; F105-E107 WeakPolarHBondContact CB-O 3.41Å; F105-E107 PolarHBondContact O-N 3.18Å |
| 108 | P | 82.6 | Confident | 77.2 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | trans | -60.7 | 146.9 | -178.2 | 24.4 | -32.4 | 0 | 0 | 0 | 111.3 | S110 | P108-S110 PolarHBondContact O-N 2.99Å; P108-S110 PolarHBondContact O-OG 3.37Å | ||
| 109 | L | 74.6 | Confident | 76 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 34% | 0.34 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 9.7 | -178.1 | -62.3 | -177.2 | 0 | 0 | 0 | 114.6 | K98 F105 D111 L112 | K98-L109 HydrophobicContact CD-CD2 3.51Å; F105-L109 HydrophobicContact CD1-CD2 4.37Å; F105-L109 HydrophobicContact CD2-CD1 3.99Å; F105-L109 HydrophobicContact CD2-CD2 4.08Å; F105-L109 HydrophobicContact CD2-CG 3.81Å; F105-L109 HydrophobicContact CE1-CD2 4.42Å; F105-L109 HydrophobicContact CE2-CD1 3.6Å; F105-L109 HydrophobicContact CE2-CD2 4.13Å; F105-L109 HydrophobicContact CE2-CG 3.92Å; F105-L109 HydrophobicContact CG-CD2 4.21Å; F105-L109 HydrophobicContact CG-CG 4.35Å; F105-L109 HydrophobicContact CZ-CD1 4.21Å; F105-L109 HydrophobicContact CZ-CD2 4.3Å; L109-D111 PolarHBondContact O-N 3.05Å; L109-D111 VanDerWaalsContact O-N 3.08Å; L109-L112 PolarHBondContact O-N 2.84Å |
| 110 | S | 70.3 | Confident | 74.7 | Confident | 59 Ų | 59 | 92 Ų | 92 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.2 | -28 | -176.2 | 28.9 | 0 | 0 | 0 | 0 | 114 | P108 L112 V113 L114 | P108-S110 PolarHBondContact O-N 2.99Å; P108-S110 PolarHBondContact O-OG 3.37Å; S110-L112 PolarHBondContact O-N 3.38Å; S110-V113 PolarHBondContact O-N 3.41Å; S110-L114 PolarHBondContact O-N 2.95Å |
| 111 | D | 60.2 | Low | 73.7 | Confident | 88 Ų | 88 | 93 Ų | 93 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -31.8 | -175.8 | -53.8 | -29.6 | 0 | 0 | 0 | 113.4 | L109 V113 L114 E115 | L109-D111 PolarHBondContact O-N 3.05Å; L109-D111 VanDerWaalsContact O-N 3.08Å; D111-V113 VanDerWaalsContact C-N 3.33Å; D111-V113 PolarHBondContact O-N 2.82Å; D111-L114 PolarHBondContact O-N 3.15Å; D111-E115 PolarHBondContact O-N 2.83Å |
| 112 | L | 57.6 | Low | 72.8 | Confident | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 177.3 | -67.1 | 175.9 | 0 | 0 | 0 | 111.8 | L109 S110 L114 E116 | L109-L112 PolarHBondContact O-N 2.84Å; S110-L112 PolarHBondContact O-N 3.38Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-E116 PolarHBondContact O-N 2.92Å |
| 113 | V | 56.9 | Low | 72.2 | Confident | 81 Ų | 81 | 94.8 Ų | 94.8 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.8 | -30.1 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 111 | S110 D111 N117 | S110-V113 PolarHBondContact O-N 3.41Å; D111-V113 VanDerWaalsContact C-N 3.33Å; D111-V113 PolarHBondContact O-N 2.82Å; V113-N117 WeakPolarHBondContact CG1-ND2 3.44Å; V113-N117 WeakPolarHBondContact O-CB 3.47Å; V113-N117 PolarHBondContact O-N 3Å; V113-N117 PolarHBondContact O-ND2 3.47Å |
| 114 | L | 55.7 | Low | 71.4 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.4 | -41.4 | 177.9 | -68.9 | 173.7 | 0 | 0 | 0 | 112 | S110 D111 L112 E116 N117 I118 | S110-L114 PolarHBondContact O-N 2.95Å; D111-L114 PolarHBondContact O-N 3.15Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L114-E116 PolarHBondContact O-N 2.83Å; L114-N117 PolarHBondContact O-N 3.22Å; L114-I118 WeakPolarHBondContact O-CB 3.43Å; L114-I118 VanDerWaalsContact O-CD1 3.3Å; L114-I118 WeakPolarHBondContact O-CD1 3.41Å; L114-I118 WeakPolarHBondContact O-CG1 3.48Å; L114-I118 PolarHBondContact O-N 2.87Å |
| 115 | E | 56.6 | Low | 70.6 | Confident | 145 Ų | 145 | 93.6 Ų | 93.6 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 178.1 | -68 | -163.1 | 175.8 | 0 | 0 | 112.7 | D111 S119 | D111-E115 PolarHBondContact O-N 2.83Å; E115-S119 WeakPolarHBondContact O-CB 3.25Å; E115-S119 PolarHBondContact O-N 3.21Å; E115-S119 VanDerWaalsContact O-N 3.09Å |
| 116 | E | 59.4 | Low | 69.4 | Low | 135 Ų | 135 | 97.5 Ų | 97.5 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 175.1 | -72 | -176.3 | 168.3 | 0 | 0 | 111.8 | L112 L114 S119 L120 | L112-E116 PolarHBondContact O-N 2.92Å; L114-E116 PolarHBondContact O-N 2.83Å; E116-S119 PolarHBondContact O-N 2.94Å; E116-L120 WeakPolarHBondContact O-CG 3.45Å; E116-L120 PolarHBondContact O-N 2.8Å |
| 117 | N | 58.5 | Low | 68.3 | Low | 89 Ų | 89 | 99.5 Ų | 99.5 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | -179.4 | -75.1 | -34.4 | 0 | 0 | 0 | 112.9 | V113 L114 L120 S121 | V113-N117 WeakPolarHBondContact CG1-ND2 3.44Å; V113-N117 WeakPolarHBondContact O-CB 3.47Å; V113-N117 PolarHBondContact O-N 3Å; V113-N117 PolarHBondContact O-ND2 3.47Å; L114-N117 PolarHBondContact O-N 3.22Å; N117-L120 PolarHBondContact O-N 2.82Å; N117-S121 WeakPolarHBondContact O-CB 3.15Å; N117-S121 PolarHBondContact O-N 3.42Å; N117-S121 PolarHBondContact O-OG 3.46Å |
| 118 | I | 60.5 | Low | 67.2 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 175.5 | -66.2 | 160.7 | 0 | 0 | 0 | 109.3 | L114 L120 S121 D122 | L114-I118 WeakPolarHBondContact O-CB 3.43Å; L114-I118 VanDerWaalsContact O-CD1 3.3Å; L114-I118 WeakPolarHBondContact O-CD1 3.41Å; L114-I118 WeakPolarHBondContact O-CG1 3.48Å; L114-I118 PolarHBondContact O-N 2.87Å; I118-L120 PolarHBondContact O-N 2.92Å; I118-S121 PolarHBondContact O-N 2.74Å; I118-S121 PolarHBondContact O-OG 2.98Å; I118-D122 WeakPolarHBondContact CG2-OD2 3.29Å; I118-D122 PolarHBondContact O-N 2.92Å |
| 119 | S | 66.8 | Low | 65.9 | Low | 52 Ų | 52 | 103 Ų | 103 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | E115 E116 K123 | E115-S119 WeakPolarHBondContact O-CB 3.25Å; E115-S119 PolarHBondContact O-N 3.21Å; E115-S119 VanDerWaalsContact O-N 3.09Å; E116-S119 PolarHBondContact O-N 2.94Å; S119-K123 WeakPolarHBondContact O-CB 3.33Å; S119-K123 VanDerWaalsContact O-CG 3.27Å; S119-K123 WeakPolarHBondContact O-CG 3.35Å; S119-K123 PolarHBondContact O-N 2.95Å; S119-K123 VanDerWaalsContact O-N 3.12Å |
| 120 | L | 69.1 | Low | 64.9 | Low | 99 Ų | 99 | 105.4 Ų | 105.4 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.1 | -39.2 | 178 | -66.9 | -177.8 | 0 | 0 | 0 | 112 | E116 N117 I118 D122 K123 L124 | E116-L120 WeakPolarHBondContact O-CG 3.45Å; E116-L120 PolarHBondContact O-N 2.8Å; N117-L120 PolarHBondContact O-N 2.82Å; I118-L120 PolarHBondContact O-N 2.92Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3Å; L120-K123 PolarHBondContact O-N 2.95Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.05Å; L120-L124 PolarHBondContact O-N 3.47Å |
| 121 | S | 74.1 | Confident | 64 | Low | 47 Ų | 47 | 107.4 Ų | 107.4 | 33% | 0.329 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.8 | -35.4 | 178.5 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | N117 I118 L124 K125 | N117-S121 WeakPolarHBondContact O-CB 3.15Å; N117-S121 PolarHBondContact O-N 3.42Å; N117-S121 PolarHBondContact O-OG 3.46Å; I118-S121 PolarHBondContact O-N 2.74Å; I118-S121 PolarHBondContact O-OG 2.98Å; S121-L124 PolarHBondContact O-N 3.24Å; S121-K125 WeakPolarHBondContact O-CG 3.29Å; S121-K125 PolarHBondContact O-N 2.85Å |
| 122 | D | 75.6 | Confident | 63.2 | Low | 68 Ų | 68 | 107.5 Ų | 107.5 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.8 | -39.2 | 177.5 | -66.9 | -26.2 | 0 | 0 | 0 | 111.7 | I118 L120 L124 K125 E126 | I118-D122 WeakPolarHBondContact CG2-OD2 3.29Å; I118-D122 PolarHBondContact O-N 2.92Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3Å; D122-L124 VanDerWaalsContact C-N 3.3Å; D122-L124 PolarHBondContact O-N 3.23Å; D122-K125 PolarHBondContact O-N 3.48Å; D122-K125 IonicContact OD1-NZ 2.82Å; D122-K125 PolarHBondContact OD1-NZ 3.49Å; D122-E126 PolarHBondContact O-N 3.33Å |
| 123 | K | 77.9 | Confident | 62.7 | Low | 116 Ų | 116 | 108 Ų | 108 | 50% | 0.504 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.5 | -37.9 | 170.2 | -74.5 | 172.5 | -176.1 | 173.5 | 0 | 112.8 | S119 L120 E126 L127 | S119-K123 WeakPolarHBondContact O-CB 3.33Å; S119-K123 VanDerWaalsContact O-CG 3.27Å; S119-K123 WeakPolarHBondContact O-CG 3.35Å; S119-K123 PolarHBondContact O-N 2.95Å; S119-K123 VanDerWaalsContact O-N 3.12Å; L120-K123 PolarHBondContact O-N 2.95Å; K123-E126 PolarHBondContact O-N 3.12Å; K123-L127 WeakPolarHBondContact O-CG 3.28Å; K123-L127 PolarHBondContact O-N 3.31Å |
| 124 | L | 75.4 | Confident | 62 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.9 | -32.1 | 177.2 | -74.5 | 170.2 | 0 | 0 | 0 | 112.8 | L120 S121 D122 L127 | L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.05Å; L120-L124 PolarHBondContact O-N 3.47Å; S121-L124 PolarHBondContact O-N 3.24Å; D122-L124 VanDerWaalsContact C-N 3.3Å; D122-L124 PolarHBondContact O-N 3.23Å; L124-L127 HydrophobicContact CD2-CD1 4.5Å; L124-L127 PolarHBondContact O-N 3.33Å |
| 125 | K | 75.9 | Confident | 61.5 | Low | 138 Ų | 138 | 110.4 Ų | 110.4 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69 | -37.7 | 175.2 | -69.6 | 166.9 | -163.2 | 157 | 0 | 111.9 | S121 D122 L127 N128 | S121-K125 WeakPolarHBondContact O-CG 3.29Å; S121-K125 PolarHBondContact O-N 2.85Å; D122-K125 PolarHBondContact O-N 3.48Å; D122-K125 IonicContact OD1-NZ 2.82Å; D122-K125 PolarHBondContact OD1-NZ 3.49Å; K125-L127 VanDerWaalsContact C-N 3.27Å; K125-L127 PolarHBondContact O-N 3.4Å; K125-N128 PolarHBondContact O-N 3.16Å |
| 126 | E | 70.5 | Confident | 60.9 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.5 | -29.3 | 177 | -70.4 | 178 | 178.4 | 0 | 0 | 112.9 | D122 K123 N128 | D122-E126 PolarHBondContact O-N 3.33Å; K123-E126 PolarHBondContact O-N 3.12Å; E126-N128 VanDerWaalsContact C-N 3.31Å; E126-N128 PolarHBondContact O-N 3.03Å |
| 127 | L | 67.6 | Low | 59.9 | Low | 136 Ų | 136 | 109 Ų | 109 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12 | 179.3 | -68.1 | 169.5 | 0 | 0 | 0 | 114 | K123 L124 K125 I129 | K123-L127 WeakPolarHBondContact O-CG 3.28Å; K123-L127 PolarHBondContact O-N 3.31Å; L124-L127 HydrophobicContact CD2-CD1 4.5Å; L124-L127 PolarHBondContact O-N 3.33Å; K125-L127 VanDerWaalsContact C-N 3.27Å; K125-L127 PolarHBondContact O-N 3.4Å; L127-I129 PolarHBondContact O-N 3.16Å |
| 128 | N | 64.5 | Low | 58.9 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 16.8 | -175.4 | -130.8 | 29 | 0 | 0 | 0 | 114.2 | K125 E126 | K125-N128 PolarHBondContact O-N 3.16Å; E126-N128 VanDerWaalsContact C-N 3.31Å; E126-N128 PolarHBondContact O-N 3.03Å |
| 129 | I | 57.2 | Low | 58.4 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | trans | -90.5 | 112.2 | 169.1 | -57.6 | 169.2 | 0 | 0 | 0 | 107.3 | L127 | L127-I129 PolarHBondContact O-N 3.16Š| ||
| 130 | S | 53.2 | Low | 57.9 | Low | 116 Ų | 116 | 113 Ų | 113 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | trans | 118.1 | 41.9 | 167.8 | -44.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 131 | A | 50 | Low | 56.7 | Low | 102 Ų | 102 | 115 Ų | 115 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -117.5 | 55.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 132 | A | 43.3 | Very low | 55.5 | Low | 89 Ų | 89 | 121.5 Ų | 121.5 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -86.7 | 116.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 133 | S | 49 | Very low | 54.2 | Low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 48.4 | 108.6 | 147 | 62.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 134 | S | 40.4 | Very low | 52.9 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | trans | -135.9 | 105.7 | 133.2 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 135 | A | 46.4 | Very low | 51.4 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -81.9 | 131.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 136 | A | 42.9 | Very low | 50.4 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 166 | 138.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 137 | D | 38.9 | Very low | 49.3 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | cis | -165.6 | 161 | 1.1 | -168.1 | -6.9 | 0 | 0 | 0 | 105.9 | ||||
| 138 | S | 38.6 | Very low | 48.4 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 66% | 0.664 | 83% | 0.827 | S | S | * | * | trans | -53.9 | -178.5 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 139 | P | 48.4 | Very low | 47.5 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | cis | -139.4 | 177.9 | 9.9 | 38.4 | -15.9 | 0 | 0 | 0 | 117.9 | ||||
| 140 | S | 57.1 | Low | 46.9 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -69.8 | 140 | 175.7 | 44.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 141 | V | 43.8 | Very low | 46.5 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -124.6 | 125.4 | 167.2 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 142 | Q | 49.8 | Very low | 46.3 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 143.9 | -178.9 | -62.4 | 170.9 | -14.1 | 0 | 0 | 111.5 | ||
| 143 | T | 46.5 | Very low | 46.5 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 135.2 | 165.7 | 30.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 144 | P | 50.5 | Low | 46.3 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 133.4 | 169.3 | 32.7 | -27.8 | 0 | 0 | 0 | 110.4 | ||
| 145 | T | 45.4 | Very low | 46.8 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 136.5 | 167.8 | -25.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 146 | S | 53.5 | Low | 46.9 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 100% | 1.343 | 85% | 0.847 | S | S | * | * | trans | -157.2 | 0 | 148.2 | -67.9 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 146 of 146 residues in 96.7 ms
(Link to these results)