| 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 | 33 | Very low | 61.6 | Low | 201 Ų | 201 | 129.1 Ų | 129.1 | 99% | 0.99 | 64% | 0.636 | S | S | * | * | 0 | 119.2 | 0 | -76.2 | 176.2 | 162.6 | 0 | 0 | 108.4 | L3 | M1-L3 PolarHBondContact O-N 3.43Š| |||
| 2 | P | 34.6 | Very low | 62.8 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | trans | -69.6 | 129.1 | 178.8 | 28.6 | -30.4 | 0 | 0 | 0 | 110.2 | V4 | P2-V4 VanDerWaalsContact C-N 3.32Å; P2-V4 HydrophobicContact CB-CG2 4.31Å; P2-V4 PolarHBondContact O-N 3.22Å | ||
| 3 | L | 39 | Very low | 64.3 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | trans | -80.7 | 67.1 | -176.9 | -75.1 | 167.2 | 0 | 0 | 0 | 111.4 | M1 K6 I206 | M1-L3 PolarHBondContact O-N 3.43Å; L3-K6 HydrophobicContact CD2-CD 4.29Å; L3-K6 HydrophobicContact CD2-CG 4.23Å; L3-I206 HydrophobicContact CD1-CD1 4.25Å | ||
| 4 | V | 47.1 | Very low | 65.9 | Low | 121 Ų | 121 | 113 Ų | 113 | 73% | 0.733 | 56% | 0.562 | S | S | * | * | trans | -87.8 | -9.4 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | P2 | P2-V4 VanDerWaalsContact C-N 3.32Å; P2-V4 HydrophobicContact CB-CG2 4.31Å; P2-V4 PolarHBondContact O-N 3.22Å | ||
| 5 | N | 54.9 | Low | 67.3 | Low | 151 Ų | 151 | 107.3 Ų | 107.3 | 81% | 0.807 | 53% | 0.534 | S | S | * | . | trans | -121 | 31.6 | -172.8 | -69.4 | -10.7 | 0 | 0 | 0 | 114.9 | F7 | N5-F7 VanDerWaalsContact C-N 3.35Š| ||
| 6 | K | 73.1 | Confident | 68.5 | Low | 40 Ų | 40 | 101.1 Ų | 101.1 | 17% | 0.174 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -74.6 | -25.7 | 174 | -81.4 | -169.6 | 176.3 | -175.2 | 0 | 112.6 | L3 F16 S17 D22 | L3-K6 HydrophobicContact CD2-CD 4.29Å; L3-K6 HydrophobicContact CD2-CG 4.23Å; K6-F16 CarbonylContact O-C 3.56Å; K6-F16 WeakPolarHBondContact O-CA 3.33Å; K6-F16 WeakPolarHBondContact O-CB 3.35Å; K6-S17 PolarHBondContact O-N 3.06Å; K6-S17 VanDerWaalsContact O-N 3.14Å; K6-D22 VanDerWaalsContact NZ-CG 3.3Å; K6-D22 IonicContact NZ-OD1 3.71Å; K6-D22 PolarHBondContact NZ-OD1 3.27Å; K6-D22 IonicContact NZ-OD2 3.82Å; K6-D22 PolarHBondContact NZ-OD2 3.46Å |
| 7 | F | 78 | Confident | 69.6 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.2 | -178.1 | -64.3 | -88.1 | 0 | 0 | 0 | 111.6 | N5 L14 F16 L24 | N5-F7 VanDerWaalsContact C-N 3.35Å; F7-L14 HydrophobicContact CB-CD1 4.24Å; F7-L14 HydrophobicContact CD1-CD1 4.25Å; F7-L14 HydrophobicContact CD1-CD2 4.05Å; F7-L14 HydrophobicContact CD1-CG 4.27Å; F7-F16 HydrophobicContact CD1-CB 3.43Å; F7-F16 VanDerWaalsContact CD1-CB 3.43Å; F7-F16 HydrophobicContact CD1-CD1 4.22Å; F7-F16 AromaticContact CD1-CG 3.91Å; F7-F16 HydrophobicContact CD1-CG 3.91Å; F7-F16 HydrophobicContact CE1-CB 3.66Å; F7-F16 AromaticContact CE1-CD1 3.96Å; F7-F16 HydrophobicContact CE1-CD1 3.96Å; F7-F16 HydrophobicContact CE1-CD2 4.06Å; F7-F16 AromaticContact CE1-CG 3.63Å; F7-F16 HydrophobicContact CE1-CG 3.63Å; F7-F16 HydrophobicContact CG-CB 4.04Å; F7-F16 HydrophobicContact CZ-CB 4.42Å; F7-F16 HydrophobicContact CZ-CD2 4.44Å; F7-F16 HydrophobicContact CZ-CG 4.41Å; F7-L24 HydrophobicContact CE1-CD1 4.26Å; F7-L24 HydrophobicContact CZ-CD1 4.17Å |
| 8 | H | 79.5 | Confident | 70.7 | Confident | 124 Ų | 124 | 92.4 Ų | 92.4 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 127.8 | 175.1 | 170.3 | -86.2 | 0 | 0 | 0 | 110.1 | I15 | H8-I15 PolarHBondContact N-O 3.14Å; H8-I15 PolarHBondContact O-N 3.18Å |
| 9 | K | 77.3 | Confident | 71.6 | Confident | 177 Ų | 177 | 90.5 Ų | 90.5 | 77% | 0.77 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 122.5 | 177 | -170.9 | 176.1 | -178.1 | 177.6 | 0 | 110.2 | ||
| 10 | S | 78.7 | Confident | 72.3 | Confident | 35 Ų | 35 | 88 Ų | 88 | 25% | 0.245 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 171 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | D12 G13 | S10-D12 PolarHBondContact O-N 3.31Å; S10-D12 PolarHBondContact OG-N 3.22Å; S10-G13 WeakPolarHBondContact CA-O 3.44Å; S10-G13 WeakPolarHBondContact CB-O 3.37Å; S10-G13 PolarHBondContact N-O 3.49Å; S10-G13 PolarHBondContact O-N 3.44Å |
| 11 | R | 82.4 | Confident | 72.9 | Confident | 234 Ų | 234 | 88 Ų | 88 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.1 | 165.8 | -68.6 | -174.4 | -173.4 | 168.8 | 2.5 | 111.6 | G13 N132 | R11-G13 VanDerWaalsContact C-N 3.32Å; R11-G13 PolarHBondContact O-N 2.92Å; R11-N132 PolarHBondContact O-ND2 2.81Å |
| 12 | D | 76.4 | Confident | 75.5 | Confident | 96 Ų | 96 | 80.1 Ų | 80.1 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.5 | -178.1 | -58.8 | -51.2 | 0 | 0 | 0 | 113.8 | S10 Y62 K134 | S10-D12 PolarHBondContact O-N 3.31Å; S10-D12 PolarHBondContact OG-N 3.22Å; D12-Y62 PolarHBondContact O-OH 2.92Å; D12-K134 WeakPolarHBondContact O-CD 3.48Å; D12-K134 WeakPolarHBondContact O-CE 3.25Å; D12-K134 PolarHBondContact O-NZ 2.9Å |
| 13 | G | 82.2 | Confident | 77.9 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136 | -168.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S10 R11 N132 K134 | S10-G13 WeakPolarHBondContact CA-O 3.44Å; S10-G13 WeakPolarHBondContact CB-O 3.37Å; S10-G13 PolarHBondContact N-O 3.49Å; S10-G13 PolarHBondContact O-N 3.44Å; R11-G13 VanDerWaalsContact C-N 3.32Å; R11-G13 PolarHBondContact O-N 2.92Å; G13-N132 PolarHBondContact N-ND2 3.21Å; G13-K134 WeakPolarHBondContact CA-O 3.32Å |
| 14 | L | 86.7 | Confident | 80.2 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.5 | 175 | 179.1 | 66.7 | 0 | 0 | 0 | 110.1 | F7 K134 M135 I136 | F7-L14 HydrophobicContact CB-CD1 4.24Å; F7-L14 HydrophobicContact CD1-CD1 4.25Å; F7-L14 HydrophobicContact CD1-CD2 4.05Å; F7-L14 HydrophobicContact CD1-CG 4.27Å; L14-K134 PolarHBondContact N-O 3.22Å; L14-M135 HydrophobicContact CB-CB 3.87Å; L14-M135 HydrophobicContact CD2-CB 4.5Å; L14-M135 HydrophobicContact CG-CB 4.43Å; L14-M135 CarbonylContact O-C 3.57Å; L14-M135 WeakPolarHBondContact O-CA 3.36Å; L14-M135 WeakPolarHBondContact O-CB 3.41Å; L14-I136 PolarHBondContact O-N 3.29Å |
| 15 | I | 87.4 | Confident | 82.2 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.138 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.7 | 178.1 | -53.5 | 178.3 | 0 | 0 | 0 | 108.2 | H8 I136 R138 | H8-I15 PolarHBondContact N-O 3.14Å; H8-I15 PolarHBondContact O-N 3.18Å; I15-I136 WeakPolarHBondContact CA-O 3.46Å; I15-I136 HydrophobicContact CD1-CD1 4.38Å; I15-I136 HydrophobicContact CG1-CB 4.32Å; I15-I136 HydrophobicContact CG1-CD1 4.25Å; I15-I136 HydrophobicContact CG2-CB 4.38Å; I15-R138 HydrophobicContact CG2-CG 4.44Å |
| 16 | F | 86.4 | Confident | 83.8 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155 | 173.2 | 69.2 | -80.7 | 0 | 0 | 0 | 112.9 | K6 F7 A18 L24 M135 I136 M137 R138 | K6-F16 CarbonylContact O-C 3.56Å; K6-F16 WeakPolarHBondContact O-CA 3.33Å; K6-F16 WeakPolarHBondContact O-CB 3.35Å; F7-F16 HydrophobicContact CD1-CB 3.43Å; F7-F16 VanDerWaalsContact CD1-CB 3.43Å; F7-F16 HydrophobicContact CD1-CD1 4.22Å; F7-F16 AromaticContact CD1-CG 3.91Å; F7-F16 HydrophobicContact CD1-CG 3.91Å; F7-F16 HydrophobicContact CE1-CB 3.66Å; F7-F16 AromaticContact CE1-CD1 3.96Å; F7-F16 HydrophobicContact CE1-CD1 3.96Å; F7-F16 HydrophobicContact CE1-CD2 4.06Å; F7-F16 AromaticContact CE1-CG 3.63Å; F7-F16 HydrophobicContact CE1-CG 3.63Å; F7-F16 HydrophobicContact CG-CB 4.04Å; F7-F16 HydrophobicContact CZ-CB 4.42Å; F7-F16 HydrophobicContact CZ-CD2 4.44Å; F7-F16 HydrophobicContact CZ-CG 4.41Å; F16-A18 HydrophobicContact CE2-CB 4.36Å; F16-L24 HydrophobicContact CE1-CD2 4.35Å; F16-L24 HydrophobicContact CE2-CD1 4.04Å; F16-L24 HydrophobicContact CE2-CD2 4.31Å; F16-L24 HydrophobicContact CZ-CD1 3.92Å; F16-L24 HydrophobicContact CZ-CD2 3.62Å; F16-L24 HydrophobicContact CZ-CG 4.3Å; F16-M135 HydrophobicContact CE1-CG 4.32Å; F16-M135 HydrophobicContact CE1-SD 3.84Å; F16-I136 WeakPolarHBondContact CD1-O 3.38Å; F16-I136 PolarHBondContact N-O 3.4Å; F16-M137 HydrophobicContact CD2-CG 4.11Å; F16-M137 HydrophobicContact CE1-CB 3.77Å; F16-M137 HydrophobicContact CE1-CG 4.3Å; F16-M137 HydrophobicContact CE2-CB 3.8Å; F16-M137 HydrophobicContact CE2-CG 3.36Å; F16-M137 HydrophobicContact CE2-SD 3.44Å; F16-M137 WeakPolarHBondContact CE2-SD 3.25Å; F16-M137 HydrophobicContact CZ-CB 3.35Å; F16-M137 HydrophobicContact CZ-CG 3.48Å; F16-M137 VanDerWaalsContact CZ-CG 3.48Å; F16-M137 HydrophobicContact CZ-SD 3.57Å; F16-M137 VanDerWaalsContact CZ-SD 3.57Å; F16-R138 PolarHBondContact O-N 3.41Å |
| 17 | S | 87.3 | Confident | 84.6 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.5 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | K6 R138 | K6-S17 PolarHBondContact O-N 3.06Å; K6-S17 VanDerWaalsContact O-N 3.14Å; S17-R138 CarbonylContact C-O 3.56Å; S17-R138 VanDerWaalsContact CA-O 3.3Å; S17-R138 WeakPolarHBondContact CA-O 3.22Å |
| 18 | A | 88.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F16 D22 V89 M137 R138 V139 K140 | F16-A18 HydrophobicContact CE2-CB 4.36Å; A18-D22 WeakPolarHBondContact CA-OD2 3.24Å; A18-D22 HydrophobicContact CB-CB 4.35Å; A18-V89 HydrophobicContact CB-CG2 4.01Å; A18-M137 HydrophobicContact CB-CG 3.94Å; A18-M137 HydrophobicContact CB-SD 3.84Å; A18-R138 PolarHBondContact N-O 2.82Å; A18-V139 CarbonylContact O-C 3.57Å; A18-V139 WeakPolarHBondContact O-CA 3.37Å; A18-K140 PolarHBondContact O-N 2.82Å |
| 19 | E | 88.5 | Confident | 85.7 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | trans | -108 | 160.1 | 170.2 | -70.1 | 173.4 | -147.3 | 0 | 0 | 109.3 | M21 D22 K140 | E19-M21 PolarHBondContact O-N 3.33Å; E19-D22 PolarHBondContact N-OD2 3.32Å; E19-D22 VanDerWaalsContact O-CB 3.24Å; E19-D22 WeakPolarHBondContact O-CB 3.28Å; E19-D22 PolarHBondContact O-N 2.85Å; E19-K140 HydrophobicContact CG-CB 4.19Å; E19-K140 HydrophobicContact CG-CD 3.72Å; E19-K140 HydrophobicContact CG-CG 4.19Å; E19-K140 WeakPolarHBondContact OE1-CE 3.42Å; E19-K140 IonicContact OE1-NZ 2.83Å; E19-K140 PolarHBondContact OE1-NZ 3.39Å | ||
| 20 | I | 85.4 | Confident | 86.2 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 140.4 | 172.2 | -57.4 | -56.5 | 0 | 0 | 0 | 108.7 | D22 V89 E91 F101 P103 V139 M142 | I20-D22 VanDerWaalsContact C-N 3.26Å; I20-D22 PolarHBondContact O-N 2.93Å; I20-V89 HydrophobicContact CD1-CG1 4.03Å; I20-E91 HydrophobicContact CD1-CG 3.96Å; I20-E91 HydrophobicContact CG1-CG 4.47Å; I20-F101 WeakPolarHBondContact CD1-O 3.36Å; I20-P103 HydrophobicContact CD1-CG 4.09Å; I20-P103 HydrophobicContact CG1-CG 4Å; I20-V139 HydrophobicContact CD1-CG1 3.75Å; I20-M142 HydrophobicContact CG1-CE 4.34Å |
| 21 | M | 84.6 | Confident | 86.7 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | -4 | -170.9 | -53.7 | -56.5 | -72.3 | 0 | 0 | 116.6 | E19 V89 R90 | E19-M21 PolarHBondContact O-N 3.33Å; M21-V89 WeakPolarHBondContact CA-O 3.29Å; M21-V89 PolarHBondContact N-O 2.72Å; M21-R90 HydrophobicContact SD-CG 4.16Å |
| 22 | D | 88.2 | Confident | 86.8 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | trans | -61.2 | 150 | 168.2 | -81.2 | -23.3 | 0 | 0 | 0 | 110.4 | K6 A18 E19 I20 V89 | K6-D22 VanDerWaalsContact NZ-CG 3.3Å; K6-D22 IonicContact NZ-OD1 3.71Å; K6-D22 PolarHBondContact NZ-OD1 3.27Å; K6-D22 IonicContact NZ-OD2 3.82Å; K6-D22 PolarHBondContact NZ-OD2 3.46Å; A18-D22 WeakPolarHBondContact CA-OD2 3.24Å; A18-D22 HydrophobicContact CB-CB 4.35Å; E19-D22 PolarHBondContact N-OD2 3.32Å; E19-D22 VanDerWaalsContact O-CB 3.24Å; E19-D22 WeakPolarHBondContact O-CB 3.28Å; E19-D22 PolarHBondContact O-N 2.85Å; I20-D22 VanDerWaalsContact C-N 3.26Å; I20-D22 PolarHBondContact O-N 2.93Å; D22-V89 HydrophobicContact CB-CG2 4.44Å; D22-V89 PolarHBondContact O-N 2.97Å | ||
| 23 | S | 85.6 | Confident | 87 | Confident | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.5 | 170.7 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | R86 L87 T88 | S23-R86 PolarHBondContact OG-NH2 2.75Å; S23-L87 CarbonylContact C-O 3.58Å; S23-L87 VanDerWaalsContact CA-O 3.32Å; S23-L87 WeakPolarHBondContact CA-O 3.42Å; S23-T88 PolarHBondContact OG-OG1 3.33Å |
| 24 | L | 86.5 | Confident | 87 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.5 | 167.8 | 177.5 | 70.5 | 0 | 0 | 0 | 108.6 | F7 F16 I26 R86 L87 M135 | F7-L24 HydrophobicContact CE1-CD1 4.26Å; F7-L24 HydrophobicContact CZ-CD1 4.17Å; F16-L24 HydrophobicContact CE1-CD2 4.35Å; F16-L24 HydrophobicContact CE2-CD1 4.04Å; F16-L24 HydrophobicContact CE2-CD2 4.31Å; F16-L24 HydrophobicContact CZ-CD1 3.92Å; F16-L24 HydrophobicContact CZ-CD2 3.62Å; F16-L24 HydrophobicContact CZ-CG 4.3Å; L24-I26 HydrophobicContact CD2-CD1 4.25Å; L24-I26 HydrophobicContact CD2-CG1 4.17Å; L24-I26 HydrophobicContact CG-CG1 4.23Å; L24-R86 CarbonylContact O-C 3.54Å; L24-R86 WeakPolarHBondContact O-CA 3.45Å; L24-L87 HydrophobicContact CB-CB 4.43Å; L24-L87 HydrophobicContact CD2-CD1 4.19Å; L24-L87 PolarHBondContact N-O 3.36Å; L24-L87 PolarHBondContact O-N 2.66Å; L24-M135 HydrophobicContact CD2-SD 4.47Å |
| 25 | E | 88.9 | Confident | 86.7 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.2 | 172.5 | -169.3 | 172.5 | -169.7 | 0 | 0 | 108.8 | H27 S84 I85 R207 | E25-H27 IonicContact OE1-CE1 3.84Å; E25-H27 PolarHBondContact OE1-CE1 3.31Å; E25-H27 IonicContact OE2-CE1 2.66Å; E25-H27 IonicContact OE2-NE2 3.25Å; E25-S84 VanDerWaalsContact OE1-CB 3.31Å; E25-S84 WeakPolarHBondContact OE1-CB 3.36Å; E25-S84 PolarHBondContact OE1-OG 2.95Å; E25-I85 CarbonylContact C-O 3.56Å; E25-I85 WeakPolarHBondContact CA-O 3.46Å; E25-R207 IonicContact OE1-CZ 2.92Å; E25-R207 IonicContact OE1-NE 3.8Å; E25-R207 IonicContact OE1-NH2 3.53Å; E25-R207 PolarHBondContact OE1-NH2 2.74Å; E25-R207 IonicContact OE2-CZ 3.56Å; E25-R207 IonicContact OE2-NE 3.71Å; E25-R207 PolarHBondContact OE2-NE 2.98Å; E25-R207 IonicContact OE2-NH2 3.31Å; E25-R207 PolarHBondContact OE2-NH2 2.81Å |
| 26 | I | 87.7 | Confident | 86.2 | Confident | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.4 | 175.8 | -53 | 172.7 | 0 | 0 | 0 | 107.5 | L24 I45 S84 I85 M135 | L24-I26 HydrophobicContact CD2-CD1 4.25Å; L24-I26 HydrophobicContact CD2-CG1 4.17Å; L24-I26 HydrophobicContact CG-CG1 4.23Å; I26-I45 HydrophobicContact CD1-CD1 4.08Å; I26-I45 HydrophobicContact CD1-CG2 4.43Å; I26-I45 HydrophobicContact CG2-CD1 3.76Å; I26-S84 CarbonylContact O-C 3.49Å; I26-S84 WeakPolarHBondContact O-CA 3.06Å; I26-I85 HydrophobicContact CB-CB 4.32Å; I26-I85 PolarHBondContact N-O 3.06Å; I26-I85 PolarHBondContact O-N 3.3Å; I26-M135 HydrophobicContact CD1-CE 3.85Å; I26-M135 HydrophobicContact CG1-CE 4.39Å |
| 27 | H | 90.6 | Very high | 85.4 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 39% | 0.394 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.4 | 178.4 | -66.9 | -76 | 0 | 0 | 0 | 111 | E25 | E25-H27 IonicContact OE1-CE1 3.84Å; E25-H27 PolarHBondContact OE1-CE1 3.31Å; E25-H27 IonicContact OE2-CE1 2.66Å; E25-H27 IonicContact OE2-NE2 3.25Å |
| 28 | C | 91.7 | Very high | 84.7 | Confident | 12 Ų | 12 | 70 Ų | 70 | 8% | 0.081 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -76 | 148.5 | 173.9 | -66.8 | 0 | 0 | 0 | 0 | 111 | R30 C76 T83 | C28-R30 PolarHBondContact O-N 3.03Å; C28-C76 VanDerWaalsContact CA-SG 3.51Å; C28-C76 HydrophobicContact CB-CB 3.61Å; C28-C76 WeakPolarHBondContact CB-SG 2.93Å; C28-C76 WeakPolarHBondContact SG-CA 3.17Å; C28-C76 WeakPolarHBondContact SG-CB 3.3Å; C28-C76 CovalentContact SG-SG 2.04Å; C28-C76 PolarHBondContact SG-SG 3Å; C28-T83 WeakPolarHBondContact CB-O 3.38Å; C28-T83 VanDerWaalsContact CB-OG1 3.24Å; C28-T83 WeakPolarHBondContact CB-OG1 3.27Å; C28-T83 PolarHBondContact N-O 3.33Å |
| 29 | P | 88.8 | Confident | 84.3 | Confident | 49 Ų | 49 | 77 Ų | 77 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 130.6 | 174.4 | -23 | 33.7 | 0 | 0 | 0 | 111.2 | Y31 | P29-Y31 HydrophobicContact CB-CD2 4.48Å; P29-Y31 HydrophobicContact CB-CE2 3.59Å |
| 30 | R | 88.3 | Confident | 84.2 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 50% | 0.498 | 38% | 0.377 | S | S | . | . | trans | -109.4 | 129.3 | 172.2 | -169.7 | -154.4 | -175.5 | -176 | 0.1 | 109.3 | C28 P79 R82 | C28-R30 PolarHBondContact O-N 3.03Å; R30-P79 CarbonylContact C-O 3.58Å; R30-P79 WeakPolarHBondContact CA-O 3.5Å; R30-R82 HydrophobicContact CG-CG 4.31Å; R30-R82 VanDerWaalsContact NH1-NE 3.17Å | ||
| 31 | Y | 88 | Confident | 84.3 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 21% | 0.208 | 38% | 0.383 | C | S | . | . | trans | -114.7 | 148.8 | 175.6 | -57.7 | -81.5 | 0 | 0 | 0 | 110.4 | P29 L35 A40 E41 P79 H80 | P29-Y31 HydrophobicContact CB-CD2 4.48Å; P29-Y31 HydrophobicContact CB-CE2 3.59Å; Y31-L35 HydrophobicContact CD1-CD2 3.35Å; Y31-L35 HydrophobicContact CD2-CD2 4.4Å; Y31-L35 HydrophobicContact CE1-CD2 4.06Å; Y31-L35 HydrophobicContact CG-CD2 3.54Å; Y31-A40 HydrophobicContact CD2-CB 3.7Å; Y31-A40 HydrophobicContact CE2-CB 3.94Å; Y31-A40 HydrophobicContact CG-CB 4.33Å; Y31-E41 HydrophobicContact CE2-CB 4.41Å; Y31-E41 WeakPolarHBondContact OH-CB 3.42Å; Y31-E41 VanDerWaalsContact OH-CG 3.27Å; Y31-E41 WeakPolarHBondContact OH-CG 3.3Å; Y31-P79 HydrophobicContact CD2-CB 3.85Å; Y31-P79 PolarHBondContact N-O 2.8Å; Y31-H80 PolarHBondContact O-ND1 3.41Å | ||
| 32 | N | 86 | Confident | 84.6 | Confident | 119 Ų | 119 | 71.9 Ų | 71.9 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | trans | -66.4 | 152.4 | 172.6 | -69.8 | -15.5 | 0 | 0 | 0 | 110.3 | T34 L35 | N32-T34 PolarHBondContact O-N 3.41Å; N32-L35 WeakPolarHBondContact O-CB 3.34Å; N32-L35 PolarHBondContact O-N 2.85Å | ||
| 33 | D | 79.5 | Confident | 84.8 | Confident | 136 Ų | 136 | 70.8 Ų | 70.8 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.9 | -176.7 | -58.7 | -27.8 | 0 | 0 | 0 | 113.7 | L35 H80 | D33-L35 VanDerWaalsContact C-N 3.26Å; D33-L35 PolarHBondContact O-N 2.92Å; D33-H80 IonicContact OD1-CG 2.72Å; D33-H80 IonicContact OD1-ND1 3.4Å; D33-H80 PolarHBondContact OD1-ND1 2.83Å |
| 34 | T | 81.8 | Confident | 85.2 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 82% | 0.816 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17 | 173.5 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | N32 | N32-T34 PolarHBondContact O-N 3.41Š|
| 35 | L | 81.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -81.9 | 121.7 | 178.7 | -166.8 | 73.5 | 0 | 0 | 0 | 110.2 | Y31 N32 D33 K39 A40 | Y31-L35 HydrophobicContact CD1-CD2 3.35Å; Y31-L35 HydrophobicContact CD2-CD2 4.4Å; Y31-L35 HydrophobicContact CE1-CD2 4.06Å; Y31-L35 HydrophobicContact CG-CD2 3.54Å; N32-L35 WeakPolarHBondContact O-CB 3.34Å; N32-L35 PolarHBondContact O-N 2.85Å; D33-L35 VanDerWaalsContact C-N 3.26Å; D33-L35 PolarHBondContact O-N 2.92Å; L35-K39 HydrophobicContact CD1-CB 3.71Å; L35-K39 HydrophobicContact CD1-CD 3.76Å; L35-K39 HydrophobicContact CD1-CG 4.4Å; L35-K39 HydrophobicContact CD2-CB 4.02Å; L35-K39 HydrophobicContact CG-CB 3.79Å; L35-A40 HydrophobicContact CD2-CB 4.41Å |
| 36 | T | 76.4 | Confident | 85.6 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | trans | -57.2 | 141.3 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | H38 K39 | T36-H38 PolarHBondContact O-N 2.91Å; T36-K39 PolarHBondContact O-N 3.4Å | ||
| 37 | Q | 69.4 | Low | 85.6 | Confident | 89 Ų | 89 | 67 Ų | 67 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -50.2 | -30.9 | -178.1 | -164.4 | 171.6 | 14.2 | 0 | 0 | 114.4 | K39 Y42 | Q37-K39 VanDerWaalsContact C-N 3.31Å; Q37-K39 PolarHBondContact O-N 2.86Å; Q37-Y42 WeakPolarHBondContact CG-OH 3.29Å; Q37-Y42 PolarHBondContact NE2-OH 3.27Å; Q37-Y42 WeakPolarHBondContact O-CE2 3.28Å; Q37-Y42 PolarHBondContact O-OH 2.63Å |
| 38 | H | 73.8 | Confident | 84.8 | Confident | 174 Ų | 174 | 63.3 Ų | 63.3 | 81% | 0.806 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -73.6 | -15.2 | 179.8 | -58 | -66.3 | 0 | 0 | 0 | 115.1 | T36 | T36-H38 PolarHBondContact O-N 2.91Š|
| 39 | K | 80.1 | Confident | 83.4 | Confident | 150 Ų | 150 | 64.9 Ų | 64.9 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -99.5 | -13.6 | 177.7 | -70.5 | -178.2 | 179.6 | -179.6 | 0 | 112.9 | L35 T36 Q37 | L35-K39 HydrophobicContact CD1-CB 3.71Å; L35-K39 HydrophobicContact CD1-CD 3.76Å; L35-K39 HydrophobicContact CD1-CG 4.4Å; L35-K39 HydrophobicContact CD2-CB 4.02Å; L35-K39 HydrophobicContact CG-CB 3.79Å; T36-K39 PolarHBondContact O-N 3.4Å; Q37-K39 VanDerWaalsContact C-N 3.31Å; Q37-K39 PolarHBondContact O-N 2.86Å |
| 40 | A | 85.2 | Confident | 81.8 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -75.2 | 148 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y31 L35 Y42 P79 | Y31-A40 HydrophobicContact CD2-CB 3.7Å; Y31-A40 HydrophobicContact CE2-CB 3.94Å; Y31-A40 HydrophobicContact CG-CB 4.33Å; L35-A40 HydrophobicContact CD2-CB 4.41Å; A40-Y42 HydrophobicContact CB-CE2 4.12Å; A40-Y42 VanDerWaalsContact O-CD2 3.32Å; A40-Y42 WeakPolarHBondContact O-CD2 3.32Å; A40-Y42 VanDerWaalsContact O-CE2 3.22Å; A40-Y42 WeakPolarHBondContact O-CE2 3.49Å; A40-P79 HydrophobicContact CB-CB 3.43Å; A40-P79 VanDerWaalsContact CB-CB 3.43Å; A40-P79 HydrophobicContact CB-CG 3.91Å |
| 41 | E | 87.3 | Confident | 79.9 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | trans | -89.4 | 135.8 | 177.5 | -65.4 | -175.1 | 173.7 | 0 | 0 | 112.1 | Y31 G115 K131 | Y31-E41 HydrophobicContact CE2-CB 4.41Å; Y31-E41 WeakPolarHBondContact OH-CB 3.42Å; Y31-E41 VanDerWaalsContact OH-CG 3.27Å; Y31-E41 WeakPolarHBondContact OH-CG 3.3Å; E41-G115 CarbonylContact C-O 3.59Å; E41-G115 VanDerWaalsContact CA-O 3.26Å; E41-G115 WeakPolarHBondContact CA-O 3.23Å; E41-K131 IonicContact OE1-NZ 3.99Å; E41-K131 PolarHBondContact OE1-NZ 2.79Å; E41-K131 IonicContact OE2-NZ 3.65Å | ||
| 42 | Y | 91.4 | Very high | 77.7 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -121.1 | 137.1 | 177.1 | -58.8 | -98.7 | 0 | 0 | 0 | 110.1 | Q37 A40 C76 L77 P79 G115 K117 | Q37-Y42 WeakPolarHBondContact CG-OH 3.29Å; Q37-Y42 PolarHBondContact NE2-OH 3.27Å; Q37-Y42 WeakPolarHBondContact O-CE2 3.28Å; Q37-Y42 PolarHBondContact O-OH 2.63Å; A40-Y42 HydrophobicContact CB-CE2 4.12Å; A40-Y42 VanDerWaalsContact O-CD2 3.32Å; A40-Y42 WeakPolarHBondContact O-CD2 3.32Å; A40-Y42 VanDerWaalsContact O-CE2 3.22Å; A40-Y42 WeakPolarHBondContact O-CE2 3.49Å; Y42-C76 WeakPolarHBondContact CA-O 3.35Å; Y42-L77 WeakPolarHBondContact CE1-O 3.38Å; Y42-P79 HydrophobicContact CE1-CG 4.15Å; Y42-G115 PolarHBondContact N-O 3.4Å; Y42-G115 VanDerWaalsContact O-CA 3.32Å; Y42-G115 WeakPolarHBondContact O-CA 3.21Å; Y42-K117 HydrophobicContact CD2-CB 3.95Å; Y42-K117 HydrophobicContact CE1-CB 4.48Å; Y42-K117 HydrophobicContact CE1-CG 4.39Å; Y42-K117 HydrophobicContact CE2-CB 3.91Å; Y42-K117 HydrophobicContact CG-CB 4.28Å |
| 43 | S | 93.5 | Very high | 75.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.1 | 178.3 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | C76 S113 | S43-C76 PolarHBondContact N-O 3.37Å; S43-C76 PolarHBondContact O-N 3.15Å; S43-S113 WeakPolarHBondContact CA-OG 3.06Å |
| 44 | I | 93.9 | Very high | 73.8 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.9 | 166.7 | -60.2 | 172.4 | 0 | 0 | 0 | 107.8 | Y46 L72 Q75 T111 S113 V120 N121 | I44-Y46 HydrophobicContact CB-CE2 3.75Å; I44-Y46 HydrophobicContact CG2-CD2 4.01Å; I44-Y46 HydrophobicContact CG2-CE1 4.02Å; I44-Y46 HydrophobicContact CG2-CE2 3.34Å; I44-Y46 WeakPolarHBondContact CG2-OH 3.35Å; I44-L72 HydrophobicContact CG2-CD1 3.22Å; I44-Q75 HydrophobicContact CG1-CB 4.32Å; I44-Q75 HydrophobicContact CG1-CG 4.05Å; I44-Q75 HydrophobicContact CG2-CG 4.12Å; I44-T111 WeakPolarHBondContact O-CA 2.79Å; I44-T111 WeakPolarHBondContact O-CB 3.32Å; I44-T111 PolarHBondContact O-OG1 2.9Å; I44-S113 PolarHBondContact N-OG 3.43Å; I44-V120 HydrophobicContact CD1-CG2 4.14Å; I44-V120 HydrophobicContact CG1-CG2 3.92Å; I44-N121 WeakPolarHBondContact CD1-OD1 3.34Å |
| 45 | I | 91.8 | Very high | 71.8 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.9 | -179.7 | -61.1 | 167.4 | 0 | 0 | 0 | 108.3 | I26 V73 G74 I85 F109 | I26-I45 HydrophobicContact CD1-CD1 4.08Å; I26-I45 HydrophobicContact CD1-CG2 4.43Å; I26-I45 HydrophobicContact CG2-CD1 3.76Å; I45-V73 HydrophobicContact CB-CB 4.47Å; I45-V73 HydrophobicContact CG2-CB 4.15Å; I45-V73 HydrophobicContact CG2-CG1 4.39Å; I45-V73 HydrophobicContact CG2-CG2 4.49Å; I45-V73 WeakPolarHBondContact O-CB 3.23Å; I45-V73 PolarHBondContact O-N 3.14Å; I45-G74 PolarHBondContact N-O 3.32Å; I45-G74 PolarHBondContact O-N 3.49Å; I45-I85 HydrophobicContact CD1-CD1 3.87Å; I45-F109 HydrophobicContact CG2-CB 4.5Å; I45-F109 HydrophobicContact CG2-CD1 4.49Å |
| 46 | Y | 91.3 | Very high | 69.9 | Low | 41 Ų | 41 | 67.8 Ų | 67.8 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145 | 178.4 | -63.1 | -86.6 | 0 | 0 | 0 | 109.7 | I44 L67 E70 L71 L72 F109 I110 | I44-Y46 HydrophobicContact CB-CE2 3.75Å; I44-Y46 HydrophobicContact CG2-CD2 4.01Å; I44-Y46 HydrophobicContact CG2-CE1 4.02Å; I44-Y46 HydrophobicContact CG2-CE2 3.34Å; I44-Y46 WeakPolarHBondContact CG2-OH 3.35Å; Y46-L67 HydrophobicContact CD1-CD1 4.44Å; Y46-L67 HydrophobicContact CD2-CD1 3.71Å; Y46-L67 HydrophobicContact CD2-CD2 3.74Å; Y46-L67 HydrophobicContact CD2-CG 4.4Å; Y46-L67 HydrophobicContact CE1-CD1 4.21Å; Y46-L67 HydrophobicContact CE2-CD1 3.42Å; Y46-L67 VanDerWaalsContact CE2-CD1 3.42Å; Y46-L67 HydrophobicContact CE2-CD2 4.34Å; Y46-L67 HydrophobicContact CG-CD1 4.2Å; Y46-L67 HydrophobicContact CG-CD2 3.92Å; Y46-E70 HydrophobicContact CD1-CB 4.37Å; Y46-E70 HydrophobicContact CG-CB 4.39Å; Y46-L71 CarbonylContact C-O 3.55Å; Y46-L71 WeakPolarHBondContact CA-O 2.96Å; Y46-L72 HydrophobicContact CD1-CD1 4.46Å; Y46-L72 HydrophobicContact CE1-CB 4.46Å; Y46-L72 HydrophobicContact CE1-CD1 4.07Å; Y46-F109 CarbonylContact O-C 3.39Å; Y46-F109 VanDerWaalsContact O-CA 3.22Å; Y46-F109 WeakPolarHBondContact O-CA 3.5Å; Y46-I110 PolarHBondContact N-O 2.92Å; Y46-I110 PolarHBondContact O-N 2.72Å |
| 47 | M | 87.7 | Confident | 68.4 | Low | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.9 | 171.7 | -177.6 | -174.3 | 86.7 | 0 | 0 | 107.5 | S49 E70 L71 V73 P99 F101 Y107 Y108 F109 | M47-S49 PolarHBondContact O-N 2.98Å; M47-E70 CarbonylContact O-C 3.52Å; M47-E70 WeakPolarHBondContact O-CA 3.19Å; M47-E70 WeakPolarHBondContact O-CB 3.33Å; M47-L71 HydrophobicContact CE-CD2 4.17Å; M47-L71 PolarHBondContact N-O 2.87Å; M47-L71 PolarHBondContact O-N 2.96Å; M47-V73 HydrophobicContact CB-CG2 3.3Å; M47-V73 VanDerWaalsContact N-CG2 3.25Å; M47-P99 HydrophobicContact CE-CB 3.44Å; M47-P99 VanDerWaalsContact CE-CB 3.44Å; M47-P99 HydrophobicContact SD-CB 4Å; M47-F101 HydrophobicContact CE-CE1 4.37Å; M47-F101 HydrophobicContact SD-CE1 3.59Å; M47-F101 VanDerWaalsContact SD-CE1 3.59Å; M47-F101 HydrophobicContact SD-CZ 3.8Å; M47-Y107 HydrophobicContact CE-CD1 4.39Å; M47-Y107 HydrophobicContact SD-CD1 4.31Å; M47-Y108 CarbonylContact C-O 3.58Å; M47-Y108 WeakPolarHBondContact CA-O 3.24Å; M47-F109 HydrophobicContact CB-CD1 3.75Å; M47-F109 HydrophobicContact CB-CE1 3.69Å; M47-F109 HydrophobicContact CB-CZ 4.44Å; M47-F109 HydrophobicContact CG-CD1 4Å; M47-F109 HydrophobicContact CG-CE1 3.65Å; M47-F109 HydrophobicContact CG-CE2 4.44Å; M47-F109 HydrophobicContact CG-CZ 3.9Å; M47-F109 HydrophobicContact SD-CE1 3.75Å; M47-F109 HydrophobicContact SD-CZ 3.72Å |
| 48 | A | 73.8 | Confident | 68.4 | Low | 8 Ų | 8 | 63 Ų | 63 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 114 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | E70 Y108 | A48-E70 HydrophobicContact CB-CG 4.18Å; A48-Y108 PolarHBondContact N-O 3.45Å |
| 49 | S | 61.4 | Low | 68.7 | Low | 45 Ų | 45 | 58.3 Ų | 58.3 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | trans | -76.3 | 132.1 | -179.9 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | M47 C51 | M47-S49 PolarHBondContact O-N 2.98Å; S49-C51 PolarHBondContact O-N 3.37Å | ||
| 50 | H | 55.2 | Low | 69 | Low | 69 Ų | 69 | 57.9 Ų | 57.9 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | trans | -87.2 | 90.6 | 166.3 | -175.9 | -97.1 | 0 | 0 | 0 | 108 | A53 | H50-A53 PolarHBondContact CE1-N 2.88Š| ||
| 51 | C | 49 | Very low | 69.1 | Low | 90 Ų | 90 | 57.8 Ų | 57.8 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | trans | -84.1 | 115.3 | 167.2 | -147.4 | 0 | 0 | 0 | 0 | 108.1 | S49 | S49-C51 PolarHBondContact O-N 3.37Š| ||
| 52 | L | 42.5 | Very low | 69.2 | Low | 148 Ų | 148 | 54.9 Ų | 54.9 | 78% | 0.775 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.9 | 100.9 | 166.2 | -58.9 | 173.7 | 0 | 0 | 0 | 117.1 | Y54 | L52-Y54 PolarHBondContact O-N 2.84Š|
| 53 | A | 42.2 | Very low | 69.1 | Low | 80 Ų | 80 | 60.5 Ų | 60.5 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | -8.6 | 156 | 0 | 0 | 0 | 0 | 0 | 121.5 | H50 | H50-A53 PolarHBondContact CE1-N 2.88Š|
| 54 | Y | 41.1 | Very low | 69 | Low | 214 Ų | 214 | 63.2 Ų | 63.2 | 84% | 0.839 | 33% | 0.334 | S | S | * | . | trans | -139.8 | 5.3 | -170.7 | -78.1 | -80.6 | 0 | 0 | 0 | 113.9 | L52 S56 | L52-Y54 PolarHBondContact O-N 2.84Å; Y54-S56 PolarHBondContact O-N 3.37Å | ||
| 55 | S | 39.9 | Very low | 68.9 | Low | 28 Ų | 28 | 63.3 Ų | 63.3 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | trans | -83.2 | 84.3 | -174.9 | -164.9 | 0 | 0 | 0 | 0 | 112.3 | V57 | S55-V57 PolarHBondContact O-N 3.44Å; S55-V57 WeakPolarHBondContact OG-CB 3.07Å | ||
| 56 | S | 40.9 | Very low | 69 | Low | 102 Ų | 102 | 65.4 Ų | 65.4 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.9 | 161.5 | 58.8 | 0 | 0 | 0 | 0 | 113 | Y54 S58 | Y54-S56 PolarHBondContact O-N 3.37Å; S56-S58 VanDerWaalsContact C-N 3.28Å; S56-S58 PolarHBondContact O-N 2.81Å |
| 57 | V | 46.4 | Very low | 68.8 | Low | 49 Ų | 49 | 64.7 Ų | 64.7 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.2 | -29.8 | -172.3 | -175 | 0 | 0 | 0 | 0 | 111.6 | S55 Y60 G61 D68 | S55-V57 PolarHBondContact O-N 3.44Å; S55-V57 WeakPolarHBondContact OG-CB 3.07Å; V57-Y60 PolarHBondContact O-N 3.12Å; V57-G61 PolarHBondContact O-N 3.25Å; V57-D68 HydrophobicContact CG1-CB 4.42Å; V57-D68 VanDerWaalsContact CG1-OD2 3.25Å; V57-D68 WeakPolarHBondContact CG1-OD2 3.44Å |
| 58 | S | 67.8 | Low | 68.4 | Low | 16 Ų | 16 | 69.5 Ų | 69.5 | 11% | 0.112 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.7 | -42 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | S56 Y60 Y62 | S56-S58 VanDerWaalsContact C-N 3.28Å; S56-S58 PolarHBondContact O-N 2.81Å; S58-Y60 VanDerWaalsContact C-N 3.32Å; S58-Y62 PolarHBondContact O-N 3.47Å |
| 59 | E | 81.1 | Confident | 68.4 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.3 | -30.7 | 178.9 | -160.6 | -170 | -164.8 | 0 | 0 | 111.3 | Y62 K63 Y108 | E59-Y62 PolarHBondContact O-N 2.8Å; E59-K63 HydrophobicContact CG-CD 4.09Å; E59-K63 HydrophobicContact CG-CG 4.4Å; E59-K63 WeakPolarHBondContact O-CB 3.23Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.45Å; E59-K63 WeakPolarHBondContact OE1-CE 3.49Å; E59-K63 IonicContact OE1-NZ 3.97Å; E59-K63 PolarHBondContact OE1-NZ 3.5Å; E59-K63 IonicContact OE2-NZ 3.96Å; E59-K63 PolarHBondContact OE2-NZ 3.36Å; E59-Y108 HydrophobicContact CB-CE2 4.29Å; E59-Y108 HydrophobicContact CG-CE1 4.08Å; E59-Y108 HydrophobicContact CG-CE2 4.48Å |
| 60 | Y | 85.1 | Confident | 69.3 | Low | 140 Ų | 140 | 76 Ų | 76 | 55% | 0.549 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 176.8 | 179.1 | -89.7 | 0 | 0 | 0 | 111.6 | V57 S58 Y62 K63 N64 | V57-Y60 PolarHBondContact O-N 3.12Å; S58-Y60 VanDerWaalsContact C-N 3.32Å; Y60-Y62 VanDerWaalsContact C-N 3.29Å; Y60-Y62 PolarHBondContact O-N 3.04Å; Y60-K63 PolarHBondContact O-N 3.03Å; Y60-N64 WeakPolarHBondContact CD2-ND2 3.45Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.49Å; Y60-N64 WeakPolarHBondContact O-CB 3.22Å; Y60-N64 PolarHBondContact O-N 3.43Å; Y60-N64 PolarHBondContact O-ND2 2.84Å |
| 61 | G | 88 | Confident | 70.6 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V57 C65 I66 | V57-G61 PolarHBondContact O-N 3.25Å; G61-C65 VanDerWaalsContact O-CA 3.23Å; G61-C65 WeakPolarHBondContact O-CA 3.38Å; G61-C65 PolarHBondContact O-N 3.47Å; G61-I66 WeakPolarHBondContact CA-O 3.33Å; G61-I66 PolarHBondContact O-N 3.38Å; G61-I66 VanDerWaalsContact O-N 3.16Å |
| 62 | Y | 89.5 | Confident | 72.5 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.7 | 179.4 | -94 | 0 | 0 | 0 | 114.1 | D12 S58 E59 Y60 Y108 I110 K134 I136 | D12-Y62 PolarHBondContact O-OH 2.92Å; S58-Y62 PolarHBondContact O-N 3.47Å; E59-Y62 PolarHBondContact O-N 2.8Å; Y60-Y62 VanDerWaalsContact C-N 3.29Å; Y60-Y62 PolarHBondContact O-N 3.04Å; Y62-Y108 AromaticContact CD1-CD1 3.75Å; Y62-Y108 HydrophobicContact CD1-CD1 3.75Å; Y62-Y108 HydrophobicContact CD1-CE1 4.19Å; Y62-Y108 AromaticContact CD2-CD1 3.68Å; Y62-Y108 HydrophobicContact CD2-CD1 3.68Å; Y62-Y108 HydrophobicContact CD2-CG 4.15Å; Y62-Y108 HydrophobicContact CE1-CD1 4.17Å; Y62-Y108 HydrophobicContact CE2-CD1 4.07Å; Y62-Y108 AromaticContact CG-CD1 3.48Å; Y62-Y108 HydrophobicContact CG-CD1 3.48Å; Y62-Y108 VanDerWaalsContact CG-CD1 3.48Å; Y62-Y108 HydrophobicContact CG-CE1 4.34Å; Y62-Y108 HydrophobicContact CG-CG 4.08Å; Y62-I110 HydrophobicContact CD2-CG2 3.7Å; Y62-I110 HydrophobicContact CE2-CG2 4.49Å; Y62-I110 HydrophobicContact CG-CG2 4.41Å; Y62-K134 HydrophobicContact CD1-CD 4.49Å; Y62-K134 HydrophobicContact CD2-CB 4.13Å; Y62-K134 HydrophobicContact CD2-CD 4.13Å; Y62-K134 HydrophobicContact CE1-CD 4.07Å; Y62-K134 HydrophobicContact CE2-CB 3.62Å; Y62-K134 HydrophobicContact CE2-CD 3.71Å; Y62-K134 HydrophobicContact CE2-CG 3.89Å; Y62-K134 PolarHBondContact O-NZ 2.97Å; Y62-I136 HydrophobicContact CE1-CD1 3.94Å; Y62-I136 HydrophobicContact CE1-CG1 4.1Å; Y62-I136 HydrophobicContact CE2-CG1 3.89Å; Y62-I136 VanDerWaalsContact CZ-CG1 3.48Å; Y62-I136 WeakPolarHBondContact OH-CD1 3.46Å; Y62-I136 WeakPolarHBondContact OH-CG1 3.47Å |
| 63 | K | 89.6 | Confident | 74.7 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 53% | 0.53 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | -179.9 | -77.4 | 173.8 | 176.5 | 164.3 | 0 | 111.7 | E59 Y60 | E59-K63 HydrophobicContact CG-CD 4.09Å; E59-K63 HydrophobicContact CG-CG 4.4Å; E59-K63 WeakPolarHBondContact O-CB 3.23Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.45Å; E59-K63 WeakPolarHBondContact OE1-CE 3.49Å; E59-K63 IonicContact OE1-NZ 3.97Å; E59-K63 PolarHBondContact OE1-NZ 3.5Å; E59-K63 IonicContact OE2-NZ 3.96Å; E59-K63 PolarHBondContact OE2-NZ 3.36Å; Y60-K63 PolarHBondContact O-N 3.03Å |
| 64 | N | 91.1 | Very high | 77 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -95 | -6.2 | -174.2 | -62.3 | -67.9 | 0 | 0 | 0 | 114.2 | Y60 I66 Q125 | Y60-N64 WeakPolarHBondContact CD2-ND2 3.45Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.49Å; Y60-N64 WeakPolarHBondContact O-CB 3.22Å; Y60-N64 PolarHBondContact O-N 3.43Å; Y60-N64 PolarHBondContact O-ND2 2.84Å; N64-I66 HydrophobicContact CB-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.25Å; N64-Q125 PolarHBondContact O-NE2 2.83Å |
| 65 | C | 92.8 | Very high | 79.5 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 55 | -172.8 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | G61 S124 Q125 C128 K129 | G61-C65 VanDerWaalsContact O-CA 3.23Å; G61-C65 WeakPolarHBondContact O-CA 3.38Å; G61-C65 PolarHBondContact O-N 3.47Å; C65-S124 CarbonylContact O-C 3.56Å; C65-S124 VanDerWaalsContact O-CA 3.26Å; C65-S124 WeakPolarHBondContact O-CA 3.38Å; C65-Q125 PolarHBondContact O-N 3.35Å; C65-C128 VanDerWaalsContact CA-SG 3.55Å; C65-C128 HydrophobicContact CB-CB 3.65Å; C65-C128 WeakPolarHBondContact CB-SG 3.44Å; C65-C128 WeakPolarHBondContact SG-CB 3.15Å; C65-C128 CovalentContact SG-SG 2.04Å; C65-C128 PolarHBondContact SG-SG 3.34Å; C65-K129 HydrophobicContact CB-CB 4.47Å; C65-K129 PolarHBondContact SG-N 2.98Å |
| 66 | I | 92.4 | Very high | 82 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -130.6 | 139 | 178.9 | -63.2 | 170.7 | 0 | 0 | 0 | 107.6 | G61 N64 | G61-I66 WeakPolarHBondContact CA-O 3.33Å; G61-I66 PolarHBondContact O-N 3.38Å; G61-I66 VanDerWaalsContact O-N 3.16Å; N64-I66 HydrophobicContact CB-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.25Å |
| 67 | L | 87.9 | Confident | 84.5 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | trans | -86.7 | 132.9 | 168.9 | -53.9 | -174.5 | 0 | 0 | 0 | 109.8 | Y46 E70 I110 T112 Q123 | Y46-L67 HydrophobicContact CD1-CD1 4.44Å; Y46-L67 HydrophobicContact CD2-CD1 3.71Å; Y46-L67 HydrophobicContact CD2-CD2 3.74Å; Y46-L67 HydrophobicContact CD2-CG 4.4Å; Y46-L67 HydrophobicContact CE1-CD1 4.21Å; Y46-L67 HydrophobicContact CE2-CD1 3.42Å; Y46-L67 VanDerWaalsContact CE2-CD1 3.42Å; Y46-L67 HydrophobicContact CE2-CD2 4.34Å; Y46-L67 HydrophobicContact CG-CD1 4.2Å; Y46-L67 HydrophobicContact CG-CD2 3.92Å; L67-E70 VanDerWaalsContact C-OE2 3.3Å; L67-E70 WeakPolarHBondContact CA-OE2 3.32Å; L67-E70 WeakPolarHBondContact CB-OE2 3.42Å; L67-E70 HydrophobicContact CD2-CG 4.34Å; L67-I110 HydrophobicContact CD2-CD1 3.67Å; L67-I110 HydrophobicContact CD2-CG1 4.05Å; L67-T112 WeakPolarHBondContact CD1-OG1 3.14Å; L67-T112 HydrophobicContact CD2-CG2 3.92Å; L67-T112 HydrophobicContact CG-CG2 3.93Å; L67-T112 WeakPolarHBondContact CG-OG1 3.34Å; L67-Q123 HydrophobicContact CB-CB 4.29Å; L67-Q123 HydrophobicContact CD1-CB 4.41Å; L67-Q123 HydrophobicContact CD1-CG 4.37Å; L67-Q123 PolarHBondContact N-O 3.29Å | ||
| 68 | D | 78.8 | Confident | 86.7 | Confident | 104 Ų | 104 | 56.7 Ų | 56.7 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -126.9 | -68 | 170.4 | 179.7 | 29.4 | 0 | 0 | 0 | 110.6 | V57 E70 | V57-D68 HydrophobicContact CG1-CB 4.42Å; V57-D68 VanDerWaalsContact CG1-OD2 3.25Å; V57-D68 WeakPolarHBondContact CG1-OD2 3.44Å; D68-E70 VanDerWaalsContact N-CD 3.3Å; D68-E70 PolarHBondContact N-OE1 3.42Å; D68-E70 VanDerWaalsContact N-OE1 3.14Å; D68-E70 PolarHBondContact N-OE2 3.1Å |
| 69 | K | 74.6 | Confident | 87.6 | Confident | 161 Ų | 161 | 56.4 Ų | 56.4 | 70% | 0.7 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -137.1 | 46 | -176.4 | -65.1 | -176.7 | -175.9 | 179 | 0 | 112.1 | ||
| 70 | E | 78.7 | Confident | 87.9 | Confident | 29 Ų | 29 | 56 Ų | 56 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 146.6 | 178.2 | -58.9 | 72.1 | -160.3 | 0 | 0 | 111.7 | Y46 M47 A48 L67 D68 | Y46-E70 HydrophobicContact CD1-CB 4.37Å; Y46-E70 HydrophobicContact CG-CB 4.39Å; M47-E70 CarbonylContact O-C 3.52Å; M47-E70 WeakPolarHBondContact O-CA 3.19Å; M47-E70 WeakPolarHBondContact O-CB 3.33Å; A48-E70 HydrophobicContact CB-CG 4.18Å; L67-E70 VanDerWaalsContact C-OE2 3.3Å; L67-E70 WeakPolarHBondContact CA-OE2 3.32Å; L67-E70 WeakPolarHBondContact CB-OE2 3.42Å; L67-E70 HydrophobicContact CD2-CG 4.34Å; D68-E70 VanDerWaalsContact N-CD 3.3Å; D68-E70 PolarHBondContact N-OE1 3.42Å; D68-E70 VanDerWaalsContact N-OE1 3.14Å; D68-E70 PolarHBondContact N-OE2 3.1Å |
| 71 | L | 84.2 | Confident | 88.1 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.4 | 172.3 | 178.9 | 63.6 | 0 | 0 | 0 | 110.1 | Y46 M47 V73 D97 P99 | Y46-L71 CarbonylContact C-O 3.55Å; Y46-L71 WeakPolarHBondContact CA-O 2.96Å; M47-L71 HydrophobicContact CE-CD2 4.17Å; M47-L71 PolarHBondContact N-O 2.87Å; M47-L71 PolarHBondContact O-N 2.96Å; L71-V73 PolarHBondContact O-N 3.12Å; L71-D97 WeakPolarHBondContact CD1-O 3.16Å; L71-P99 HydrophobicContact CD2-CB 3.85Å; L71-P99 HydrophobicContact CD2-CG 4.41Å |
| 72 | L | 88.8 | Confident | 88.1 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 122.2 | 170.1 | 176.8 | 66 | 0 | 0 | 0 | 110 | I44 Y46 Q75 | I44-L72 HydrophobicContact CG2-CD1 3.22Å; Y46-L72 HydrophobicContact CD1-CD1 4.46Å; Y46-L72 HydrophobicContact CE1-CB 4.46Å; Y46-L72 HydrophobicContact CE1-CD1 4.07Å; L72-Q75 HydrophobicContact CD1-CG 4.04Å |
| 73 | V | 87.8 | Confident | 88.1 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -41.2 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | I45 M47 L71 I85 L87 F109 | I45-V73 HydrophobicContact CB-CB 4.47Å; I45-V73 HydrophobicContact CG2-CB 4.15Å; I45-V73 HydrophobicContact CG2-CG1 4.39Å; I45-V73 HydrophobicContact CG2-CG2 4.49Å; I45-V73 WeakPolarHBondContact O-CB 3.23Å; I45-V73 PolarHBondContact O-N 3.14Å; M47-V73 HydrophobicContact CB-CG2 3.3Å; M47-V73 VanDerWaalsContact N-CG2 3.25Å; L71-V73 PolarHBondContact O-N 3.12Å; V73-I85 HydrophobicContact CG1-CG2 3.93Å; V73-I85 WeakPolarHBondContact O-CG2 3.45Å; V73-L87 HydrophobicContact CG1-CD1 3.51Å; V73-L87 HydrophobicContact CG1-CD2 3.68Å; V73-L87 HydrophobicContact CG1-CG 3.89Å; V73-F109 HydrophobicContact CG1-CE1 4.38Å; V73-F109 HydrophobicContact CG2-CD1 4.08Å; V73-F109 HydrophobicContact CG2-CE1 4.15Å |
| 74 | G | 90.3 | Very high | 88.1 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I45 | I45-G74 PolarHBondContact N-O 3.32Å; I45-G74 PolarHBondContact O-N 3.49Å |
| 75 | Q | 94.2 | Very high | 87.9 | Confident | 88 Ų | 88 | 57 Ų | 57 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.2 | -170.6 | -48.7 | -179.7 | -15.3 | 0 | 0 | 110.7 | I44 L72 L77 | I44-Q75 HydrophobicContact CG1-CB 4.32Å; I44-Q75 HydrophobicContact CG1-CG 4.05Å; I44-Q75 HydrophobicContact CG2-CG 4.12Å; L72-Q75 HydrophobicContact CD1-CG 4.04Å; Q75-L77 HydrophobicContact CB-CD1 4.21Å; Q75-L77 HydrophobicContact CB-CG 3.88Å |
| 76 | C | 92.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 77.7 | 172.8 | -63.5 | 0 | 0 | 0 | 0 | 108.9 | C28 Y42 S43 | C28-C76 VanDerWaalsContact CA-SG 3.51Å; C28-C76 HydrophobicContact CB-CB 3.61Å; C28-C76 WeakPolarHBondContact CB-SG 2.93Å; C28-C76 WeakPolarHBondContact SG-CA 3.17Å; C28-C76 WeakPolarHBondContact SG-CB 3.3Å; C28-C76 CovalentContact SG-SG 2.04Å; C28-C76 PolarHBondContact SG-SG 3Å; Y42-C76 WeakPolarHBondContact CA-O 3.35Å; S43-C76 PolarHBondContact N-O 3.37Å; S43-C76 PolarHBondContact O-N 3.15Å |
| 77 | L | 93.4 | Very high | 87.2 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | trans | -105.5 | -9.1 | -177 | -56.6 | -175.4 | 0 | 0 | 0 | 114.3 | Y42 Q75 P79 V120 | Y42-L77 WeakPolarHBondContact CE1-O 3.38Å; Q75-L77 HydrophobicContact CB-CD1 4.21Å; Q75-L77 HydrophobicContact CB-CG 3.88Å; L77-P79 WeakPolarHBondContact O-CD 3.21Å; L77-V120 HydrophobicContact CD2-CG2 3.63Å | ||
| 78 | S | 91.9 | Very high | 87.1 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | trans | -114.1 | 80.3 | -172.5 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | H80 A81 | S78-H80 PolarHBondContact O-N 3.16Å; S78-H80 VanDerWaalsContact O-N 3.15Å; S78-A81 PolarHBondContact O-N 2.99Å; S78-A81 VanDerWaalsContact O-N 3.11Å | ||
| 79 | P | 86.8 | Confident | 87.5 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.1 | -169.8 | 27.4 | -38.1 | 0 | 0 | 0 | 114.8 | R30 Y31 A40 Y42 L77 | R30-P79 CarbonylContact C-O 3.58Å; R30-P79 WeakPolarHBondContact CA-O 3.5Å; Y31-P79 HydrophobicContact CD2-CB 3.85Å; Y31-P79 PolarHBondContact N-O 2.8Å; A40-P79 HydrophobicContact CB-CB 3.43Å; A40-P79 VanDerWaalsContact CB-CB 3.43Å; A40-P79 HydrophobicContact CB-CG 3.91Å; Y42-P79 HydrophobicContact CE1-CG 4.15Å; L77-P79 WeakPolarHBondContact O-CD 3.21Å |
| 80 | H | 87.8 | Confident | 88 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.4 | 179.7 | -57.9 | -66.1 | 0 | 0 | 0 | 112.7 | Y31 D33 S78 | Y31-H80 PolarHBondContact O-ND1 3.41Å; D33-H80 IonicContact OD1-CG 2.72Å; D33-H80 IonicContact OD1-ND1 3.4Å; D33-H80 PolarHBondContact OD1-ND1 2.83Å; S78-H80 PolarHBondContact O-N 3.16Å; S78-H80 VanDerWaalsContact O-N 3.15Å |
| 81 | A | 89 | Confident | 88.2 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -100.8 | 139.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | S78 T83 | S78-A81 PolarHBondContact O-N 2.99Å; S78-A81 VanDerWaalsContact O-N 3.11Å; A81-T83 HydrophobicContact CB-CG2 4.03Å; A81-T83 PolarHBondContact O-N 3.32Å |
| 82 | R | 87.3 | Confident | 88.1 | Confident | 206 Ų | 206 | 60.5 Ų | 60.5 | 78% | 0.777 | 31% | 0.308 | S | S | * | . | trans | -72.1 | 99.2 | 168.2 | -75.7 | -175.5 | 172.8 | 174.4 | 0 | 108.6 | R30 | R30-R82 HydrophobicContact CG-CG 4.31Å; R30-R82 VanDerWaalsContact NH1-NE 3.17Å | ||
| 83 | T | 89.9 | Confident | 87.6 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | trans | -115.3 | 144.5 | 178.9 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | C28 A81 | C28-T83 WeakPolarHBondContact CB-O 3.38Å; C28-T83 VanDerWaalsContact CB-OG1 3.24Å; C28-T83 WeakPolarHBondContact CB-OG1 3.27Å; C28-T83 PolarHBondContact N-O 3.33Å; A81-T83 HydrophobicContact CB-CG2 4.03Å; A81-T83 PolarHBondContact O-N 3.32Å | ||
| 84 | S | 89.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 149.8 | 174 | 60.7 | 0 | 0 | 0 | 0 | 111 | E25 I26 | E25-S84 VanDerWaalsContact OE1-CB 3.31Å; E25-S84 WeakPolarHBondContact OE1-CB 3.36Å; E25-S84 PolarHBondContact OE1-OG 2.95Å; I26-S84 CarbonylContact O-C 3.49Å; I26-S84 WeakPolarHBondContact O-CA 3.06Å |
| 85 | I | 86.5 | Confident | 86.4 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119 | 178.4 | -59.4 | 155.8 | 0 | 0 | 0 | 106.8 | E25 I26 I45 V73 | E25-I85 CarbonylContact C-O 3.56Å; E25-I85 WeakPolarHBondContact CA-O 3.46Å; I26-I85 HydrophobicContact CB-CB 4.32Å; I26-I85 PolarHBondContact N-O 3.06Å; I26-I85 PolarHBondContact O-N 3.3Å; I45-I85 HydrophobicContact CD1-CD1 3.87Å; V73-I85 HydrophobicContact CG1-CG2 3.93Å; V73-I85 WeakPolarHBondContact O-CG2 3.45Å |
| 86 | R | 87.3 | Confident | 85.5 | Confident | 147 Ų | 147 | 69.7 Ų | 69.7 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.8 | -179.3 | -174.1 | 178.7 | 179.8 | -178.1 | 2.1 | 110.3 | S23 L24 | S23-R86 PolarHBondContact OG-NH2 2.75Å; L24-R86 CarbonylContact O-C 3.54Å; L24-R86 WeakPolarHBondContact O-CA 3.45Å |
| 87 | L | 84.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.9 | 169.5 | -58.6 | 172.6 | 0 | 0 | 0 | 108.8 | S23 L24 V73 P99 F109 | S23-L87 CarbonylContact C-O 3.58Å; S23-L87 VanDerWaalsContact CA-O 3.32Å; S23-L87 WeakPolarHBondContact CA-O 3.42Å; L24-L87 HydrophobicContact CB-CB 4.43Å; L24-L87 HydrophobicContact CD2-CD1 4.19Å; L24-L87 PolarHBondContact N-O 3.36Å; L24-L87 PolarHBondContact O-N 2.66Å; V73-L87 HydrophobicContact CG1-CD1 3.51Å; V73-L87 HydrophobicContact CG1-CD2 3.68Å; V73-L87 HydrophobicContact CG1-CG 3.89Å; L87-P99 HydrophobicContact CD2-CG 4.28Å; L87-F109 HydrophobicContact CD1-CD1 4.46Å; L87-F109 HydrophobicContact CD1-CE1 3.47Å; L87-F109 VanDerWaalsContact CD1-CE1 3.47Å; L87-F109 HydrophobicContact CD1-CZ 3.93Å |
| 88 | T | 86.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.3 | 169.9 | -55.5 | 0 | 0 | 0 | 0 | 108.1 | S23 R90 | S23-T88 PolarHBondContact OG-OG1 3.33Å; T88-R90 HydrophobicContact CG2-CG 3.78Å; T88-R90 PolarHBondContact O-N 3.24Å |
| 89 | V | 86.2 | Confident | 82.9 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | trans | -75 | 94 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 108 | A18 I20 M21 D22 F101 M137 V139 | A18-V89 HydrophobicContact CB-CG2 4.01Å; I20-V89 HydrophobicContact CD1-CG1 4.03Å; M21-V89 WeakPolarHBondContact CA-O 3.29Å; M21-V89 PolarHBondContact N-O 2.72Å; D22-V89 HydrophobicContact CB-CG2 4.44Å; D22-V89 PolarHBondContact O-N 2.97Å; V89-F101 HydrophobicContact CB-CD2 4.37Å; V89-F101 HydrophobicContact CG1-CB 3.57Å; V89-F101 HydrophobicContact CG1-CD2 4.21Å; V89-F101 HydrophobicContact CG1-CG 3.9Å; V89-M137 HydrophobicContact CG2-CE 4.07Å; V89-M137 HydrophobicContact CG2-SD 3.72Å; V89-V139 HydrophobicContact CG1-CG1 4.12Å; V89-V139 HydrophobicContact CG1-CG2 4.07Å | ||
| 90 | R | 84.8 | Confident | 82.7 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | trans | -124.1 | 145.6 | 179.1 | -58.5 | -175.1 | 178.2 | -179.3 | -0.5 | 109.5 | M21 T88 V92 F101 | M21-R90 HydrophobicContact SD-CG 4.16Å; T88-R90 HydrophobicContact CG2-CG 3.78Å; T88-R90 PolarHBondContact O-N 3.24Å; R90-V92 VanDerWaalsContact C-N 3.32Å; R90-V92 WeakPolarHBondContact CB-O 3.15Å; R90-F101 PolarHBondContact O-N 2.97Å | ||
| 91 | E | 84 | Confident | 82.6 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -67.7 | -37.4 | 174.4 | -71.4 | 174.9 | -106.1 | 0 | 0 | 111 | I20 E100 F101 M142 | I20-E91 HydrophobicContact CD1-CG 3.96Å; I20-E91 HydrophobicContact CG1-CG 4.47Å; E91-E100 WeakPolarHBondContact O-CB 3.25Å; E91-F101 WeakPolarHBondContact CA-O 3.42Å; E91-F101 VanDerWaalsContact CG-O 3.31Å; E91-F101 WeakPolarHBondContact CG-O 3.43Å; E91-M142 WeakPolarHBondContact OE1-CE 3.41Å |
| 92 | V | 80.3 | Confident | 82.4 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 68% | 0.679 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -114.6 | 125.4 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | R90 | R90-V92 VanDerWaalsContact C-N 3.32Å; R90-V92 WeakPolarHBondContact CB-O 3.15Å |
| 93 | S | 79.8 | Confident | 82.3 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | trans | -81.4 | 138.1 | 175.8 | -137.5 | 0 | 0 | 0 | 0 | 110 | R95 G98 P99 | S93-R95 WeakPolarHBondContact CB-O 3.31Å; S93-R95 PolarHBondContact O-N 2.78Å; S93-G98 VanDerWaalsContact OG-CA 3.24Å; S93-G98 WeakPolarHBondContact OG-CA 3.49Å; S93-P99 VanDerWaalsContact CB-O 3.3Å; S93-P99 WeakPolarHBondContact CB-O 3.29Å; S93-P99 PolarHBondContact OG-O 3.05Å | ||
| 94 | P | 79 | Confident | 82.1 | Confident | 112 Ų | 112 | 63.5 Ų | 63.5 | 73% | 0.727 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -71.6 | 4.8 | 173.6 | 32.2 | -36.4 | 0 | 0 | 0 | 113.1 | ||
| 95 | R | 74.2 | Confident | 82 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -126.8 | 130.2 | -177.9 | 173.6 | 176 | 69.1 | 96 | 4 | 106.7 | S93 D97 G98 | S93-R95 WeakPolarHBondContact CB-O 3.31Å; S93-R95 PolarHBondContact O-N 2.78Å; R95-D97 WeakPolarHBondContact CD-OD1 3.24Å; R95-D97 WeakPolarHBondContact CG-OD1 3.38Å; R95-D97 VanDerWaalsContact CZ-C 3.4Å; R95-D97 IonicContact CZ-OD1 2.7Å; R95-D97 IonicContact CZ-OD2 3.21Å; R95-D97 IonicContact NE-OD1 2.78Å; R95-D97 VanDerWaalsContact NH1-C 3.25Å; R95-D97 PolarHBondContact NH1-O 2.72Å; R95-D97 IonicContact NH1-OD1 3.56Å; R95-D97 PolarHBondContact NH1-OD1 3.08Å; R95-D97 IonicContact NH1-OD2 2.82Å; R95-D97 PolarHBondContact NH1-OD2 2.98Å; R95-D97 PolarHBondContact NH2-O 2.94Å; R95-D97 PolarHBondContact O-N 2.93Å; R95-G98 VanDerWaalsContact CZ-CA 3.47Å; R95-G98 VanDerWaalsContact NH2-CA 3.28Å; R95-G98 WeakPolarHBondContact O-CA 3.47Å; R95-G98 PolarHBondContact O-N 3.33Å |
| 96 | D | 73.5 | Confident | 82 | Confident | 169 Ų | 169 | 66.5 Ų | 66.5 | 90% | 0.904 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31.5 | -174.2 | -53.8 | -23 | 0 | 0 | 0 | 113.2 | G98 | D96-G98 VanDerWaalsContact C-N 3.31Š|
| 97 | D | 72.4 | Confident | 82 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 18.1 | 172.7 | 67.4 | -29.9 | 0 | 0 | 0 | 112.5 | L71 R95 | L71-D97 WeakPolarHBondContact CD1-O 3.16Å; R95-D97 WeakPolarHBondContact CD-OD1 3.24Å; R95-D97 WeakPolarHBondContact CG-OD1 3.38Å; R95-D97 VanDerWaalsContact CZ-C 3.4Å; R95-D97 IonicContact CZ-OD1 2.7Å; R95-D97 IonicContact CZ-OD2 3.21Å; R95-D97 IonicContact NE-OD1 2.78Å; R95-D97 VanDerWaalsContact NH1-C 3.25Å; R95-D97 PolarHBondContact NH1-O 2.72Å; R95-D97 IonicContact NH1-OD1 3.56Å; R95-D97 PolarHBondContact NH1-OD1 3.08Å; R95-D97 IonicContact NH1-OD2 2.82Å; R95-D97 PolarHBondContact NH1-OD2 2.98Å; R95-D97 PolarHBondContact NH2-O 2.94Å; R95-D97 PolarHBondContact O-N 2.93Å |
| 98 | G | 72.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | trans | -66.5 | 153.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S93 R95 D96 | S93-G98 VanDerWaalsContact OG-CA 3.24Å; S93-G98 WeakPolarHBondContact OG-CA 3.49Å; R95-G98 VanDerWaalsContact CZ-CA 3.47Å; R95-G98 VanDerWaalsContact NH2-CA 3.28Å; R95-G98 WeakPolarHBondContact O-CA 3.47Å; R95-G98 PolarHBondContact O-N 3.33Å; D96-G98 VanDerWaalsContact C-N 3.31Å | ||
| 99 | P | 79.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | trans | -71.7 | 136.9 | 167.3 | 31.5 | -34 | 0 | 0 | 0 | 110.1 | M47 L71 L87 S93 F101 | M47-P99 HydrophobicContact CE-CB 3.44Å; M47-P99 VanDerWaalsContact CE-CB 3.44Å; M47-P99 HydrophobicContact SD-CB 4Å; L71-P99 HydrophobicContact CD2-CB 3.85Å; L71-P99 HydrophobicContact CD2-CG 4.41Å; L87-P99 HydrophobicContact CD2-CG 4.28Å; S93-P99 VanDerWaalsContact CB-O 3.3Å; S93-P99 WeakPolarHBondContact CB-O 3.29Å; S93-P99 PolarHBondContact OG-O 3.05Å; P99-F101 HydrophobicContact CB-CE1 4.46Å; P99-F101 HydrophobicContact CB-CE2 3.79Å; P99-F101 HydrophobicContact CB-CZ 3.68Å; P99-F101 HydrophobicContact CG-CE2 3.96Å; P99-F101 HydrophobicContact CG-CZ 4.14Å | ||
| 100 | E | 83.1 | Confident | 82.7 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | trans | -115.6 | 137.8 | 173.7 | -67.8 | -179 | 172.1 | 0 | 0 | 110.2 | E91 Y107 | E91-E100 WeakPolarHBondContact O-CB 3.25Å; E100-Y107 VanDerWaalsContact O-CE1 3.29Å; E100-Y107 WeakPolarHBondContact O-CE1 3.44Å | ||
| 101 | F | 84.1 | Confident | 83 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -125.8 | 108.6 | -172.3 | -60.4 | -73.6 | 0 | 0 | 0 | 112.3 | I20 M47 V89 R90 E91 P99 Y107 M137 V139 | I20-F101 WeakPolarHBondContact CD1-O 3.36Å; M47-F101 HydrophobicContact CE-CE1 4.37Å; M47-F101 HydrophobicContact SD-CE1 3.59Å; M47-F101 VanDerWaalsContact SD-CE1 3.59Å; M47-F101 HydrophobicContact SD-CZ 3.8Å; V89-F101 HydrophobicContact CB-CD2 4.37Å; V89-F101 HydrophobicContact CG1-CB 3.57Å; V89-F101 HydrophobicContact CG1-CD2 4.21Å; V89-F101 HydrophobicContact CG1-CG 3.9Å; R90-F101 PolarHBondContact O-N 2.97Å; E91-F101 WeakPolarHBondContact CA-O 3.42Å; E91-F101 VanDerWaalsContact CG-O 3.31Å; E91-F101 WeakPolarHBondContact CG-O 3.43Å; P99-F101 HydrophobicContact CB-CE1 4.46Å; P99-F101 HydrophobicContact CB-CE2 3.79Å; P99-F101 HydrophobicContact CB-CZ 3.68Å; P99-F101 HydrophobicContact CG-CE2 3.96Å; P99-F101 HydrophobicContact CG-CZ 4.14Å; F101-Y107 HydrophobicContact CB-CE2 4.38Å; F101-Y107 AromaticContact CD1-CD1 3.83Å; F101-Y107 HydrophobicContact CD1-CD1 3.83Å; F101-Y107 AromaticContact CD1-CD2 3.69Å; F101-Y107 HydrophobicContact CD1-CD2 3.69Å; F101-Y107 AromaticContact CD1-CE1 3.89Å; F101-Y107 HydrophobicContact CD1-CE1 3.89Å; F101-Y107 AromaticContact CD1-CE2 3.78Å; F101-Y107 HydrophobicContact CD1-CE2 3.78Å; F101-Y107 AromaticContact CD1-CG 3.75Å; F101-Y107 HydrophobicContact CD1-CG 3.75Å; F101-Y107 AromaticContact CD1-CZ 3.9Å; F101-Y107 AromaticContact CE1-CD1 3.96Å; F101-Y107 HydrophobicContact CE1-CD1 3.96Å; F101-Y107 HydrophobicContact CE1-CD2 4.25Å; F101-Y107 HydrophobicContact CE1-CE1 4.41Å; F101-Y107 AromaticContact CE1-CG 3.89Å; F101-Y107 HydrophobicContact CE1-CG 3.89Å; F101-M137 HydrophobicContact CD1-CE 3.28Å; F101-M137 HydrophobicContact CE1-CE 3.02Å; F101-M137 HydrophobicContact CE2-CE 4.44Å; F101-M137 HydrophobicContact CG-CE 4.12Å; F101-M137 HydrophobicContact CZ-CE 3.65Å; F101-V139 HydrophobicContact CB-CG2 4.29Å; F101-V139 HydrophobicContact CD1-CG2 4.49Å | ||
| 102 | H | 85.4 | Confident | 83.5 | Confident | 74 Ų | 74 | 51 Ų | 51 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -88.5 | 135.1 | 177 | -62.3 | 82.2 | 0 | 0 | 0 | 112.1 | H105 Y107 | H102-H105 HydrophobicContact CB-CB 4.42Å; H102-H105 WeakPolarHBondContact CB-ND1 3.36Å; H102-H105 WeakPolarHBondContact O-CB 3.33Å; H102-H105 PolarHBondContact O-N 2.79Å; H102-Y107 PolarHBondContact N-OH 2.89Å | ||
| 103 | P | 86.7 | Confident | 84.2 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 142.4 | 171.2 | -23.8 | 32.1 | 0 | 0 | 0 | 112.5 | I20 H105 M142 | I20-P103 HydrophobicContact CD1-CG 4.09Å; I20-P103 HydrophobicContact CG1-CG 4Å; P103-H105 PolarHBondContact O-N 3.31Å; P103-H105 PolarHBondContact O-ND1 3.19Å; P103-M142 HydrophobicContact CB-CG 4.13Å; P103-M142 HydrophobicContact CG-CE 3.89Å; P103-M142 HydrophobicContact CG-CG 3.86Å |
| 104 | G | 84.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 48 Ų | 48 | 54% | 0.536 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -3.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | V139 | G104-V139 VanDerWaalsContact CA-O 3.29Å; G104-V139 WeakPolarHBondContact CA-O 3.28Å; G104-V139 PolarHBondContact N-O 2.84Å |
| 105 | H | 86.6 | Confident | 85.4 | Confident | 83 Ų | 83 | 43 Ų | 43 | 38% | 0.384 | 24% | 0.236 | S | C | . | . | trans | -98.5 | 155.4 | -179.5 | -65.8 | 70.1 | 0 | 0 | 0 | 112 | H102 P103 Y107 V139 | H102-H105 HydrophobicContact CB-CB 4.42Å; H102-H105 WeakPolarHBondContact CB-ND1 3.36Å; H102-H105 WeakPolarHBondContact O-CB 3.33Å; H102-H105 PolarHBondContact O-N 2.79Å; P103-H105 PolarHBondContact O-N 3.31Å; P103-H105 PolarHBondContact O-ND1 3.19Å; H105-Y107 HydrophobicContact CB-CE2 3.71Å; H105-V139 PolarHBondContact O-N 2.87Å | ||
| 106 | S | 86.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.1 | 174 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | M137 | S106-M137 CarbonylContact C-O 3.44Å; S106-M137 VanDerWaalsContact CA-O 3.28Å; S106-M137 WeakPolarHBondContact CA-O 3.34Å |
| 107 | Y | 87.3 | Confident | 87.1 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.6 | -179.6 | -61 | -95.1 | 0 | 0 | 0 | 109.3 | M47 E100 F101 H102 H105 I136 M137 V139 | M47-Y107 HydrophobicContact CE-CD1 4.39Å; M47-Y107 HydrophobicContact SD-CD1 4.31Å; E100-Y107 VanDerWaalsContact O-CE1 3.29Å; E100-Y107 WeakPolarHBondContact O-CE1 3.44Å; F101-Y107 HydrophobicContact CB-CE2 4.38Å; F101-Y107 AromaticContact CD1-CD1 3.83Å; F101-Y107 HydrophobicContact CD1-CD1 3.83Å; F101-Y107 AromaticContact CD1-CD2 3.69Å; F101-Y107 HydrophobicContact CD1-CD2 3.69Å; F101-Y107 AromaticContact CD1-CE1 3.89Å; F101-Y107 HydrophobicContact CD1-CE1 3.89Å; F101-Y107 AromaticContact CD1-CE2 3.78Å; F101-Y107 HydrophobicContact CD1-CE2 3.78Å; F101-Y107 AromaticContact CD1-CG 3.75Å; F101-Y107 HydrophobicContact CD1-CG 3.75Å; F101-Y107 AromaticContact CD1-CZ 3.9Å; F101-Y107 AromaticContact CE1-CD1 3.96Å; F101-Y107 HydrophobicContact CE1-CD1 3.96Å; F101-Y107 HydrophobicContact CE1-CD2 4.25Å; F101-Y107 HydrophobicContact CE1-CE1 4.41Å; F101-Y107 AromaticContact CE1-CG 3.89Å; F101-Y107 HydrophobicContact CE1-CG 3.89Å; H102-Y107 PolarHBondContact N-OH 2.89Å; H105-Y107 HydrophobicContact CB-CE2 3.71Å; Y107-I136 CarbonylContact O-C 3.53Å; Y107-I136 WeakPolarHBondContact O-CA 3.09Å; Y107-M137 HydrophobicContact CD2-CE 4.31Å; Y107-M137 HydrophobicContact CG-CE 4.46Å; Y107-M137 PolarHBondContact N-O 3.35Å; Y107-M137 PolarHBondContact O-N 3.46Å; Y107-V139 HydrophobicContact CD2-CG2 3.74Å; Y107-V139 HydrophobicContact CE2-CB 4.45Å; Y107-V139 HydrophobicContact CE2-CG2 3.62Å |
| 108 | Y | 88.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 39 Ų | 39 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.7 | -171.2 | -57.4 | -90.1 | 0 | 0 | 0 | 109.7 | M47 A48 E59 Y62 I136 | M47-Y108 CarbonylContact C-O 3.58Å; M47-Y108 WeakPolarHBondContact CA-O 3.24Å; A48-Y108 PolarHBondContact N-O 3.45Å; E59-Y108 HydrophobicContact CB-CE2 4.29Å; E59-Y108 HydrophobicContact CG-CE1 4.08Å; E59-Y108 HydrophobicContact CG-CE2 4.48Å; Y62-Y108 AromaticContact CD1-CD1 3.75Å; Y62-Y108 HydrophobicContact CD1-CD1 3.75Å; Y62-Y108 HydrophobicContact CD1-CE1 4.19Å; Y62-Y108 AromaticContact CD2-CD1 3.68Å; Y62-Y108 HydrophobicContact CD2-CD1 3.68Å; Y62-Y108 HydrophobicContact CD2-CG 4.15Å; Y62-Y108 HydrophobicContact CE1-CD1 4.17Å; Y62-Y108 HydrophobicContact CE2-CD1 4.07Å; Y62-Y108 AromaticContact CG-CD1 3.48Å; Y62-Y108 HydrophobicContact CG-CD1 3.48Å; Y62-Y108 VanDerWaalsContact CG-CD1 3.48Å; Y62-Y108 HydrophobicContact CG-CE1 4.34Å; Y62-Y108 HydrophobicContact CG-CG 4.08Å; Y108-I136 HydrophobicContact CD1-CD1 4.34Å; Y108-I136 HydrophobicContact CD1-CG1 3.87Å; Y108-I136 HydrophobicContact CE1-CD1 4.06Å; Y108-I136 HydrophobicContact CE1-CG1 4.04Å; Y108-I136 HydrophobicContact CE1-CG2 4.33Å |
| 109 | F | 91.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.1 | 177.4 | -55 | -102.6 | 0 | 0 | 0 | 109.7 | I45 Y46 M47 V73 L87 K134 M135 M137 | I45-F109 HydrophobicContact CG2-CB 4.5Å; I45-F109 HydrophobicContact CG2-CD1 4.49Å; Y46-F109 CarbonylContact O-C 3.39Å; Y46-F109 VanDerWaalsContact O-CA 3.22Å; Y46-F109 WeakPolarHBondContact O-CA 3.5Å; M47-F109 HydrophobicContact CB-CD1 3.75Å; M47-F109 HydrophobicContact CB-CE1 3.69Å; M47-F109 HydrophobicContact CB-CZ 4.44Å; M47-F109 HydrophobicContact CG-CD1 4Å; M47-F109 HydrophobicContact CG-CE1 3.65Å; M47-F109 HydrophobicContact CG-CE2 4.44Å; M47-F109 HydrophobicContact CG-CZ 3.9Å; M47-F109 HydrophobicContact SD-CE1 3.75Å; M47-F109 HydrophobicContact SD-CZ 3.72Å; V73-F109 HydrophobicContact CG1-CE1 4.38Å; V73-F109 HydrophobicContact CG2-CD1 4.08Å; V73-F109 HydrophobicContact CG2-CE1 4.15Å; L87-F109 HydrophobicContact CD1-CD1 4.46Å; L87-F109 HydrophobicContact CD1-CE1 3.47Å; L87-F109 VanDerWaalsContact CD1-CE1 3.47Å; L87-F109 HydrophobicContact CD1-CZ 3.93Å; F109-K134 CarbonylContact O-C 3.52Å; F109-K134 VanDerWaalsContact O-CA 3.25Å; F109-K134 WeakPolarHBondContact O-CA 2.97Å; F109-K134 WeakPolarHBondContact O-CB 3.49Å; F109-M135 HydrophobicContact CB-CG 3.54Å; F109-M135 HydrophobicContact CB-SD 4.4Å; F109-M135 HydrophobicContact CD2-CG 3.8Å; F109-M135 HydrophobicContact CD2-SD 4.41Å; F109-M135 HydrophobicContact CG-CG 3.93Å; F109-M135 HydrophobicContact CG-SD 4.44Å; F109-M135 PolarHBondContact N-O 3.12Å; F109-M135 PolarHBondContact O-N 3.16Å; F109-M137 HydrophobicContact CE2-CB 3.79Å; F109-M137 HydrophobicContact CE2-CE 4.27Å; F109-M137 HydrophobicContact CZ-CE 4.11Å |
| 110 | I | 91.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 160.5 | -179.2 | 59.2 | 176.6 | 0 | 0 | 0 | 110.9 | Y46 Y62 L67 K134 | Y46-I110 PolarHBondContact N-O 2.92Å; Y46-I110 PolarHBondContact O-N 2.72Å; Y62-I110 HydrophobicContact CD2-CG2 3.7Å; Y62-I110 HydrophobicContact CE2-CG2 4.49Å; Y62-I110 HydrophobicContact CG-CG2 4.41Å; L67-I110 HydrophobicContact CD2-CD1 3.67Å; L67-I110 HydrophobicContact CD2-CG1 4.05Å; I110-K134 HydrophobicContact CG2-CB 3.86Å |
| 111 | T | 92.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | trans | -133.6 | 121.7 | 163.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | I44 S113 L127 C128 L133 | I44-T111 WeakPolarHBondContact O-CA 2.79Å; I44-T111 WeakPolarHBondContact O-CB 3.32Å; I44-T111 PolarHBondContact O-OG1 2.9Å; T111-S113 PolarHBondContact OG1-OG 3.31Å; T111-L127 HydrophobicContact CG2-CB 3.97Å; T111-L127 HydrophobicContact CG2-CD1 4.47Å; T111-C128 WeakPolarHBondContact O-CA 3.21Å; T111-C128 WeakPolarHBondContact O-CB 3.09Å; T111-C128 PolarHBondContact O-N 2.87Å; T111-L133 HydrophobicContact CG2-CB 3.88Å; T111-L133 HydrophobicContact CG2-CD2 3.42Å; T111-L133 VanDerWaalsContact CG2-CD2 3.42Å; T111-L133 HydrophobicContact CG2-CG 3.58Å | ||
| 112 | T | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -96.4 | 1.7 | 178.1 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | L67 L122 G126 | L67-T112 WeakPolarHBondContact CD1-OG1 3.14Å; L67-T112 HydrophobicContact CD2-CG2 3.92Å; L67-T112 HydrophobicContact CG-CG2 3.93Å; L67-T112 WeakPolarHBondContact CG-OG1 3.34Å; T112-L122 CarbonylContact C-O 3.58Å; T112-L122 WeakPolarHBondContact CB-O 3.42Å; T112-L122 VanDerWaalsContact O-CB 3.25Å; T112-L122 WeakPolarHBondContact O-CB 3.22Å; T112-L122 PolarHBondContact OG1-O 3Å; T112-G126 WeakPolarHBondContact O-CA 3.25Å | ||
| 113 | S | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -61.1 | 146.4 | 170 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | S43 I44 T111 G119 V120 G126 L127 | S43-S113 WeakPolarHBondContact CA-OG 3.06Å; I44-S113 PolarHBondContact N-OG 3.43Å; T111-S113 PolarHBondContact OG1-OG 3.31Å; S113-G119 WeakPolarHBondContact CA-O 3.37Å; S113-V120 WeakPolarHBondContact CB-O 3.48Å; S113-V120 PolarHBondContact OG-O 3.06Å; S113-G126 CarbonylContact O-C 3.58Å; S113-G126 WeakPolarHBondContact O-CA 3.42Å; S113-L127 WeakPolarHBondContact O-CB 3.21Å; S113-L127 WeakPolarHBondContact O-CD1 3.07Å; S113-L127 WeakPolarHBondContact O-CG 3.44Å; S113-L127 PolarHBondContact O-N 2.74Å | ||
| 114 | D | 93.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | trans | -89 | -1.9 | 177.3 | 67.6 | 3.3 | 0 | 0 | 0 | 114.5 | T116 G119 L122 | D114-T116 WeakPolarHBondContact OD1-CA 3.32Å; D114-T116 WeakPolarHBondContact OD1-CB 3.37Å; D114-T116 PolarHBondContact OD1-N 3.47Å; D114-T116 PolarHBondContact OD1-OG1 3.24Å; D114-T116 PolarHBondContact OD2-OG1 2.94Å; D114-G119 PolarHBondContact N-O 3.48Å; D114-G119 VanDerWaalsContact OD1-CA 3.28Å; D114-G119 WeakPolarHBondContact OD1-CA 3.38Å; D114-L122 HydrophobicContact CB-CD1 3.78Å | ||
| 115 | G | 91.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | 94.4 | -12.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E41 Y42 | E41-G115 CarbonylContact C-O 3.59Å; E41-G115 VanDerWaalsContact CA-O 3.26Å; E41-G115 WeakPolarHBondContact CA-O 3.23Å; Y42-G115 PolarHBondContact N-O 3.4Å; Y42-G115 VanDerWaalsContact O-CA 3.32Å; Y42-G115 WeakPolarHBondContact O-CA 3.21Å |
| 116 | T | 92.8 | Very high | 92.5 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -91.5 | 156.5 | 175.4 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | D114 A118 G119 V120 | D114-T116 WeakPolarHBondContact OD1-CA 3.32Å; D114-T116 WeakPolarHBondContact OD1-CB 3.37Å; D114-T116 PolarHBondContact OD1-N 3.47Å; D114-T116 PolarHBondContact OD1-OG1 3.24Å; D114-T116 PolarHBondContact OD2-OG1 2.94Å; T116-A118 PolarHBondContact O-N 3.37Å; T116-G119 PolarHBondContact O-N 2.72Å; T116-G119 PolarHBondContact OG1-N 3.3Å; T116-V120 PolarHBondContact O-N 2.75Å |
| 117 | K | 91.9 | Very high | 92.7 | Very high | 122 Ų | 122 | 42.1 Ų | 42.1 | 53% | 0.53 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -60.9 | -32.8 | 174.3 | -169.6 | 177.6 | -178.1 | -179.7 | 0 | 112.4 | Y42 V120 | Y42-K117 HydrophobicContact CD2-CB 3.95Å; Y42-K117 HydrophobicContact CE1-CB 4.48Å; Y42-K117 HydrophobicContact CE1-CG 4.39Å; Y42-K117 HydrophobicContact CE2-CB 3.91Å; Y42-K117 HydrophobicContact CG-CB 4.28Å; K117-V120 VanDerWaalsContact O-CG1 3.31Å; K117-V120 WeakPolarHBondContact O-CG1 3.35Å |
| 118 | A | 94 | Very high | 93 | Very high | 97 Ų | 97 | 42 Ų | 42 | 80% | 0.802 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -76.1 | -40.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T116 V120 | T116-A118 PolarHBondContact O-N 3.37Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.14Å |
| 119 | G | 94.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -90.3 | 15.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S113 D114 T116 N121 L122 | S113-G119 WeakPolarHBondContact CA-O 3.37Å; D114-G119 PolarHBondContact N-O 3.48Å; D114-G119 VanDerWaalsContact OD1-CA 3.28Å; D114-G119 WeakPolarHBondContact OD1-CA 3.38Å; T116-G119 PolarHBondContact O-N 2.72Å; T116-G119 PolarHBondContact OG1-N 3.3Å; G119-N121 VanDerWaalsContact C-N 3.29Å; G119-N121 PolarHBondContact O-N 2.87Å; G119-L122 WeakPolarHBondContact O-CB 3.45Å; G119-L122 WeakPolarHBondContact O-CD1 3.45Å; G119-L122 WeakPolarHBondContact O-CG 3.3Å; G119-L122 PolarHBondContact O-N 2.92Å |
| 120 | V | 93.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.6 | -177.7 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | I44 L77 S113 T116 K117 A118 | I44-V120 HydrophobicContact CD1-CG2 4.14Å; I44-V120 HydrophobicContact CG1-CG2 3.92Å; L77-V120 HydrophobicContact CD2-CG2 3.63Å; S113-V120 WeakPolarHBondContact CB-O 3.48Å; S113-V120 PolarHBondContact OG-O 3.06Å; T116-V120 PolarHBondContact O-N 2.75Å; K117-V120 VanDerWaalsContact O-CG1 3.31Å; K117-V120 WeakPolarHBondContact O-CG1 3.35Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.14Å |
| 121 | N | 94.6 | Very high | 93.2 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 13.4 | -178.3 | -62.8 | -43.9 | 0 | 0 | 0 | 113.6 | I44 G119 Q123 | I44-N121 WeakPolarHBondContact CD1-OD1 3.34Å; G119-N121 VanDerWaalsContact C-N 3.29Å; G119-N121 PolarHBondContact O-N 2.87Å; N121-Q123 PolarHBondContact O-N 2.82Å |
| 122 | L | 94.9 | Very high | 92.9 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | trans | -59.4 | 134.9 | 175 | -75 | 172.4 | 0 | 0 | 0 | 110.1 | T112 D114 G119 | T112-L122 CarbonylContact C-O 3.58Å; T112-L122 WeakPolarHBondContact CB-O 3.42Å; T112-L122 VanDerWaalsContact O-CB 3.25Å; T112-L122 WeakPolarHBondContact O-CB 3.22Å; T112-L122 PolarHBondContact OG1-O 3Å; D114-L122 HydrophobicContact CB-CD1 3.78Å; G119-L122 WeakPolarHBondContact O-CB 3.45Å; G119-L122 WeakPolarHBondContact O-CD1 3.45Å; G119-L122 WeakPolarHBondContact O-CG 3.3Å; G119-L122 PolarHBondContact O-N 2.92Å | ||
| 123 | Q | 93.3 | Very high | 92.7 | Very high | 139 Ų | 139 | 64 Ų | 64 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | trans | -97.5 | 1.5 | -177.6 | -64.9 | -175.9 | -14.8 | 0 | 0 | 113.4 | L67 N121 | L67-Q123 HydrophobicContact CB-CB 4.29Å; L67-Q123 HydrophobicContact CD1-CB 4.41Å; L67-Q123 HydrophobicContact CD1-CG 4.37Å; L67-Q123 PolarHBondContact N-O 3.29Å; N121-Q123 PolarHBondContact O-N 2.82Å | ||
| 124 | S | 94.8 | Very high | 92.5 | Very high | 56 Ų | 56 | 65.3 Ų | 65.3 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -150.7 | 156.7 | 176.8 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | C65 G126 | C65-S124 CarbonylContact O-C 3.56Å; C65-S124 VanDerWaalsContact O-CA 3.26Å; C65-S124 WeakPolarHBondContact O-CA 3.38Å; S124-G126 PolarHBondContact O-N 3.4Å |
| 125 | Q | 93.5 | Very high | 92.3 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 63.6 | -105.7 | 178.3 | -43.9 | -62.9 | -66.4 | 0 | 0 | 112.5 | N64 C65 C128 K129 | N64-Q125 PolarHBondContact O-NE2 2.83Å; C65-Q125 PolarHBondContact O-N 3.35Å; Q125-C128 WeakPolarHBondContact O-CB 3.02Å; Q125-C128 PolarHBondContact O-N 2.84Å; Q125-K129 HydrophobicContact CB-CB 4.46Å; Q125-K129 PolarHBondContact O-N 3.44Å |
| 126 | G | 93.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | 52.4 | -148.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T112 S113 S124 C128 K129 T130 | T112-G126 WeakPolarHBondContact O-CA 3.25Å; S113-G126 CarbonylContact O-C 3.58Å; S113-G126 WeakPolarHBondContact O-CA 3.42Å; S124-G126 PolarHBondContact O-N 3.4Å; G126-C128 PolarHBondContact O-N 2.7Å; G126-K129 PolarHBondContact O-N 2.78Å; G126-T130 WeakPolarHBondContact O-CG2 3.31Å; G126-T130 PolarHBondContact O-N 3.35Å; G126-T130 PolarHBondContact O-OG1 3.49Å |
| 127 | L | 91.9 | Very high | 92 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -29.8 | 179.7 | -70.5 | 165.5 | 0 | 0 | 0 | 112.4 | T111 S113 K129 T130 K131 N132 L133 | T111-L127 HydrophobicContact CG2-CB 3.97Å; T111-L127 HydrophobicContact CG2-CD1 4.47Å; S113-L127 WeakPolarHBondContact O-CB 3.21Å; S113-L127 WeakPolarHBondContact O-CD1 3.07Å; S113-L127 WeakPolarHBondContact O-CG 3.44Å; S113-L127 PolarHBondContact O-N 2.74Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 2.84Å; L127-T130 WeakPolarHBondContact CA-OG1 3.4Å; L127-K131 HydrophobicContact CD2-CB 4.36Å; L127-K131 HydrophobicContact CD2-CD 3.63Å; L127-K131 HydrophobicContact CD2-CG 3.94Å; L127-K131 CarbonylContact O-C 3.58Å; L127-K131 WeakPolarHBondContact O-CA 3.36Å; L127-K131 PolarHBondContact O-N 3.04Å; L127-N132 PolarHBondContact O-N 3.45Å; L127-L133 HydrophobicContact CB-CB 4.02Å; L127-L133 HydrophobicContact CB-CD2 4.02Å; L127-L133 HydrophobicContact CD1-CD2 4.1Å; L127-L133 WeakPolarHBondContact O-CB 3.26Å; L127-L133 PolarHBondContact O-N 2.79Å |
| 128 | C | 92.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.9 | -44 | 172.6 | 175 | 0 | 0 | 0 | 0 | 111.4 | C65 T111 Q125 G126 N132 | C65-C128 VanDerWaalsContact CA-SG 3.55Å; C65-C128 HydrophobicContact CB-CB 3.65Å; C65-C128 WeakPolarHBondContact CB-SG 3.44Å; C65-C128 WeakPolarHBondContact SG-CB 3.15Å; C65-C128 CovalentContact SG-SG 2.04Å; C65-C128 PolarHBondContact SG-SG 3.34Å; T111-C128 WeakPolarHBondContact O-CA 3.21Å; T111-C128 WeakPolarHBondContact O-CB 3.09Å; T111-C128 PolarHBondContact O-N 2.87Å; Q125-C128 WeakPolarHBondContact O-CB 3.02Å; Q125-C128 PolarHBondContact O-N 2.84Å; G126-C128 PolarHBondContact O-N 2.7Å; C128-N132 WeakPolarHBondContact O-CA 2.91Å; C128-N132 PolarHBondContact O-N 2.83Å |
| 129 | K | 93.2 | Very high | 91.5 | Very high | 140 Ų | 140 | 56.6 Ų | 56.6 | 61% | 0.609 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -88.2 | -44.5 | 178.8 | -175.7 | 171.5 | 179.2 | -179.8 | 0 | 113.3 | C65 Q125 G126 L127 | C65-K129 HydrophobicContact CB-CB 4.47Å; C65-K129 PolarHBondContact SG-N 2.98Å; Q125-K129 HydrophobicContact CB-CB 4.46Å; Q125-K129 PolarHBondContact O-N 3.44Å; G126-K129 PolarHBondContact O-N 2.78Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 2.84Å |
| 130 | T | 92.5 | Very high | 91.1 | Very high | 105 Ų | 105 | 60.6 Ų | 60.6 | 64% | 0.644 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -75.2 | -35 | -171.6 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | G126 L127 | G126-T130 WeakPolarHBondContact O-CG2 3.31Å; G126-T130 PolarHBondContact O-N 3.35Å; G126-T130 PolarHBondContact O-OG1 3.49Å; L127-T130 WeakPolarHBondContact CA-OG1 3.4Å |
| 131 | K | 89.7 | Confident | 90.6 | Very high | 121 Ų | 121 | 63.6 Ų | 63.6 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -118.5 | 7.8 | -178.4 | -61.9 | -163.1 | -169.9 | 176.4 | 0 | 113.7 | E41 L127 L133 | E41-K131 IonicContact OE1-NZ 3.99Å; E41-K131 PolarHBondContact OE1-NZ 2.79Å; E41-K131 IonicContact OE2-NZ 3.65Å; L127-K131 HydrophobicContact CD2-CB 4.36Å; L127-K131 HydrophobicContact CD2-CD 3.63Å; L127-K131 HydrophobicContact CD2-CG 3.94Å; L127-K131 CarbonylContact O-C 3.58Å; L127-K131 WeakPolarHBondContact O-CA 3.36Å; L127-K131 PolarHBondContact O-N 3.04Å; K131-L133 PolarHBondContact O-N 3.21Å |
| 132 | N | 87.9 | Confident | 89.3 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | trans | 53.7 | 36.3 | -175.1 | -159.3 | 29.8 | 0 | 0 | 0 | 112.5 | R11 G13 L127 C128 K134 | R11-N132 PolarHBondContact O-ND2 2.81Å; G13-N132 PolarHBondContact N-ND2 3.21Å; L127-N132 PolarHBondContact O-N 3.45Å; C128-N132 WeakPolarHBondContact O-CA 2.91Å; C128-N132 PolarHBondContact O-N 2.83Å; N132-K134 PolarHBondContact O-N 3.22Å; N132-K134 WeakPolarHBondContact OD1-CE 3.21Å | ||
| 133 | L | 89.6 | Confident | 87.5 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 45% | 0.445 | 32% | 0.319 | S | S | . | . | trans | -82.2 | 74.7 | -175.7 | -166 | 60 | 0 | 0 | 0 | 110.2 | T111 L127 K131 | T111-L133 HydrophobicContact CG2-CB 3.88Å; T111-L133 HydrophobicContact CG2-CD2 3.42Å; T111-L133 VanDerWaalsContact CG2-CD2 3.42Å; T111-L133 HydrophobicContact CG2-CG 3.58Å; L127-L133 HydrophobicContact CB-CB 4.02Å; L127-L133 HydrophobicContact CB-CD2 4.02Å; L127-L133 HydrophobicContact CD1-CD2 4.1Å; L127-L133 WeakPolarHBondContact O-CB 3.26Å; L127-L133 PolarHBondContact O-N 2.79Å; K131-L133 PolarHBondContact O-N 3.21Å | ||
| 134 | K | 89.7 | Confident | 85.4 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.7 | 179.6 | 55.2 | 174.8 | 168.4 | 160.2 | 0 | 110.4 | D12 G13 L14 Y62 F109 I110 N132 | D12-K134 WeakPolarHBondContact O-CD 3.48Å; D12-K134 WeakPolarHBondContact O-CE 3.25Å; D12-K134 PolarHBondContact O-NZ 2.9Å; G13-K134 WeakPolarHBondContact CA-O 3.32Å; L14-K134 PolarHBondContact N-O 3.22Å; Y62-K134 HydrophobicContact CD1-CD 4.49Å; Y62-K134 HydrophobicContact CD2-CB 4.13Å; Y62-K134 HydrophobicContact CD2-CD 4.13Å; Y62-K134 HydrophobicContact CE1-CD 4.07Å; Y62-K134 HydrophobicContact CE2-CB 3.62Å; Y62-K134 HydrophobicContact CE2-CD 3.71Å; Y62-K134 HydrophobicContact CE2-CG 3.89Å; Y62-K134 PolarHBondContact O-NZ 2.97Å; F109-K134 CarbonylContact O-C 3.52Å; F109-K134 VanDerWaalsContact O-CA 3.25Å; F109-K134 WeakPolarHBondContact O-CA 2.97Å; F109-K134 WeakPolarHBondContact O-CB 3.49Å; I110-K134 HydrophobicContact CG2-CB 3.86Å; N132-K134 PolarHBondContact O-N 3.22Å; N132-K134 WeakPolarHBondContact OD1-CE 3.21Å |
| 135 | M | 89.6 | Confident | 83 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 15% | 0.148 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.4 | -178.2 | 65 | 178.7 | 105.5 | 0 | 0 | 113.6 | L14 F16 L24 I26 F109 | L14-M135 HydrophobicContact CB-CB 3.87Å; L14-M135 HydrophobicContact CD2-CB 4.5Å; L14-M135 HydrophobicContact CG-CB 4.43Å; L14-M135 CarbonylContact O-C 3.57Å; L14-M135 WeakPolarHBondContact O-CA 3.36Å; L14-M135 WeakPolarHBondContact O-CB 3.41Å; F16-M135 HydrophobicContact CE1-CG 4.32Å; F16-M135 HydrophobicContact CE1-SD 3.84Å; L24-M135 HydrophobicContact CD2-SD 4.47Å; I26-M135 HydrophobicContact CD1-CE 3.85Å; I26-M135 HydrophobicContact CG1-CE 4.39Å; F109-M135 HydrophobicContact CB-CG 3.54Å; F109-M135 HydrophobicContact CB-SD 4.4Å; F109-M135 HydrophobicContact CD2-CG 3.8Å; F109-M135 HydrophobicContact CD2-SD 4.41Å; F109-M135 HydrophobicContact CG-CG 3.93Å; F109-M135 HydrophobicContact CG-SD 4.44Å; F109-M135 PolarHBondContact N-O 3.12Å; F109-M135 PolarHBondContact O-N 3.16Å |
| 136 | I | 88.5 | Confident | 80.8 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.1 | 176.3 | -54.5 | 174.2 | 0 | 0 | 0 | 108 | L14 I15 F16 Y62 Y107 Y108 R138 | L14-I136 PolarHBondContact O-N 3.29Å; I15-I136 WeakPolarHBondContact CA-O 3.46Å; I15-I136 HydrophobicContact CD1-CD1 4.38Å; I15-I136 HydrophobicContact CG1-CB 4.32Å; I15-I136 HydrophobicContact CG1-CD1 4.25Å; I15-I136 HydrophobicContact CG2-CB 4.38Å; F16-I136 WeakPolarHBondContact CD1-O 3.38Å; F16-I136 PolarHBondContact N-O 3.4Å; Y62-I136 HydrophobicContact CE1-CD1 3.94Å; Y62-I136 HydrophobicContact CE1-CG1 4.1Å; Y62-I136 HydrophobicContact CE2-CG1 3.89Å; Y62-I136 VanDerWaalsContact CZ-CG1 3.48Å; Y62-I136 WeakPolarHBondContact OH-CD1 3.46Å; Y62-I136 WeakPolarHBondContact OH-CG1 3.47Å; Y107-I136 CarbonylContact O-C 3.53Å; Y107-I136 WeakPolarHBondContact O-CA 3.09Å; Y108-I136 HydrophobicContact CD1-CD1 4.34Å; Y108-I136 HydrophobicContact CD1-CG1 3.87Å; Y108-I136 HydrophobicContact CE1-CD1 4.06Å; Y108-I136 HydrophobicContact CE1-CG1 4.04Å; Y108-I136 HydrophobicContact CE1-CG2 4.33Å; I136-R138 HydrophobicContact CG2-CG 4.12Å |
| 137 | M | 88.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120 | 167.1 | -175.6 | 164.3 | 65.3 | 0 | 0 | 109.5 | F16 A18 V89 F101 S106 Y107 F109 V139 | F16-M137 HydrophobicContact CD2-CG 4.11Å; F16-M137 HydrophobicContact CE1-CB 3.77Å; F16-M137 HydrophobicContact CE1-CG 4.3Å; F16-M137 HydrophobicContact CE2-CB 3.8Å; F16-M137 HydrophobicContact CE2-CG 3.36Å; F16-M137 HydrophobicContact CE2-SD 3.44Å; F16-M137 WeakPolarHBondContact CE2-SD 3.25Å; F16-M137 HydrophobicContact CZ-CB 3.35Å; F16-M137 HydrophobicContact CZ-CG 3.48Å; F16-M137 VanDerWaalsContact CZ-CG 3.48Å; F16-M137 HydrophobicContact CZ-SD 3.57Å; F16-M137 VanDerWaalsContact CZ-SD 3.57Å; A18-M137 HydrophobicContact CB-CG 3.94Å; A18-M137 HydrophobicContact CB-SD 3.84Å; V89-M137 HydrophobicContact CG2-CE 4.07Å; V89-M137 HydrophobicContact CG2-SD 3.72Å; F101-M137 HydrophobicContact CD1-CE 3.28Å; F101-M137 HydrophobicContact CE1-CE 3.02Å; F101-M137 HydrophobicContact CE2-CE 4.44Å; F101-M137 HydrophobicContact CG-CE 4.12Å; F101-M137 HydrophobicContact CZ-CE 3.65Å; S106-M137 CarbonylContact C-O 3.44Å; S106-M137 VanDerWaalsContact CA-O 3.28Å; S106-M137 WeakPolarHBondContact CA-O 3.34Å; Y107-M137 HydrophobicContact CD2-CE 4.31Å; Y107-M137 HydrophobicContact CG-CE 4.46Å; Y107-M137 PolarHBondContact N-O 3.35Å; Y107-M137 PolarHBondContact O-N 3.46Å; F109-M137 HydrophobicContact CE2-CB 3.79Å; F109-M137 HydrophobicContact CE2-CE 4.27Å; F109-M137 HydrophobicContact CZ-CE 4.11Å; M137-V139 HydrophobicContact CE-CG2 4.31Å; M137-V139 HydrophobicContact CG-CG2 4.42Å |
| 138 | R | 88.1 | Confident | 75.9 | Confident | 125 Ų | 125 | 82 Ų | 82 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 109.1 | 172.8 | -62.7 | -175.5 | 174.2 | 173.8 | -1.8 | 108.9 | I15 F16 S17 A18 I136 K140 | I15-R138 HydrophobicContact CG2-CG 4.44Å; F16-R138 PolarHBondContact O-N 3.41Å; S17-R138 CarbonylContact C-O 3.56Å; S17-R138 VanDerWaalsContact CA-O 3.3Å; S17-R138 WeakPolarHBondContact CA-O 3.22Å; A18-R138 PolarHBondContact N-O 2.82Å; I136-R138 HydrophobicContact CG2-CG 4.12Å; R138-K140 PolarHBondContact O-N 3.16Å |
| 139 | V | 87.6 | Confident | 73.6 | Confident | 4 Ų | 4 | 89.4 Ų | 89.4 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.8 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | A18 I20 V89 F101 G104 H105 Y107 M137 S141 | A18-V139 CarbonylContact O-C 3.57Å; A18-V139 WeakPolarHBondContact O-CA 3.37Å; I20-V139 HydrophobicContact CD1-CG1 3.75Å; V89-V139 HydrophobicContact CG1-CG1 4.12Å; V89-V139 HydrophobicContact CG1-CG2 4.07Å; F101-V139 HydrophobicContact CB-CG2 4.29Å; F101-V139 HydrophobicContact CD1-CG2 4.49Å; G104-V139 VanDerWaalsContact CA-O 3.29Å; G104-V139 WeakPolarHBondContact CA-O 3.28Å; G104-V139 PolarHBondContact N-O 2.84Å; H105-V139 PolarHBondContact O-N 2.87Å; Y107-V139 HydrophobicContact CD2-CG2 3.74Å; Y107-V139 HydrophobicContact CE2-CB 4.45Å; Y107-V139 HydrophobicContact CE2-CG2 3.62Å; M137-V139 HydrophobicContact CE-CG2 4.31Å; M137-V139 HydrophobicContact CG-CG2 4.42Å; V139-S141 PolarHBondContact O-N 2.76Å |
| 140 | K | 86.7 | Confident | 71.3 | Confident | 92 Ų | 92 | 92.6 Ų | 92.6 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 140.9 | -178.8 | -64.1 | -172.2 | -166.4 | 167.7 | 0 | 109.8 | A18 E19 R138 M142 | A18-K140 PolarHBondContact O-N 2.82Å; E19-K140 HydrophobicContact CG-CB 4.19Å; E19-K140 HydrophobicContact CG-CD 3.72Å; E19-K140 HydrophobicContact CG-CG 4.19Å; E19-K140 WeakPolarHBondContact OE1-CE 3.42Å; E19-K140 IonicContact OE1-NZ 2.83Å; E19-K140 PolarHBondContact OE1-NZ 3.39Å; R138-K140 PolarHBondContact O-N 3.16Å; K140-M142 PolarHBondContact O-N 2.9Å |
| 141 | S | 81.9 | Confident | 68.9 | Low | 74 Ų | 74 | 92.9 Ų | 92.9 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 138.9 | 168.7 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | V139 R143 | V139-S141 PolarHBondContact O-N 2.76Å; S141-R143 PolarHBondContact O-N 3.29Å |
| 142 | M | 66.8 | Low | 66.8 | Low | 112 Ų | 112 | 95.6 Ų | 95.6 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -54.6 | 128.2 | 160.8 | -67.6 | -165.5 | -166.9 | 0 | 0 | 106.7 | I20 E91 P103 K140 E144 | I20-M142 HydrophobicContact CG1-CE 4.34Å; E91-M142 WeakPolarHBondContact OE1-CE 3.41Å; P103-M142 HydrophobicContact CB-CG 4.13Å; P103-M142 HydrophobicContact CG-CE 3.89Å; P103-M142 HydrophobicContact CG-CG 3.86Å; K140-M142 PolarHBondContact O-N 2.9Å; M142-E144 PolarHBondContact O-N 3.41Å |
| 143 | R | 58.6 | Low | 64.5 | Low | 106 Ų | 106 | 102.3 Ų | 102.3 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 134.1 | -160.8 | -56.3 | -167.2 | -176.2 | -178.9 | -15.2 | 112.4 | S141 D145 R177 | S141-R143 PolarHBondContact O-N 3.29Å; R143-D145 HydrophobicContact CB-CB 3.68Å; R143-D145 WeakPolarHBondContact CD-OD2 3.31Å; R143-D145 IonicContact CZ-OD2 3.5Å; R143-D145 IonicContact NE-OD2 3.69Å; R143-D145 IonicContact NH1-OD2 2.72Å; R143-D145 PolarHBondContact NH1-OD2 2.83Å; R143-D145 PolarHBondContact O-N 2.59Å; R143-R177 VanDerWaalsContact NH1-NE 3.15Å |
| 144 | E | 48.3 | Very low | 61.8 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 10.2 | 158.2 | -65.4 | -178.2 | 150.2 | 0 | 0 | 113.1 | M142 V146 K147 R148 | M142-E144 PolarHBondContact O-N 3.41Å; E144-V146 PolarHBondContact O-N 2.95Å; E144-V146 VanDerWaalsContact O-N 3.16Å; E144-K147 PolarHBondContact O-N 2.85Å; E144-R148 PolarHBondContact O-N 2.94Å; E144-R148 VanDerWaalsContact O-N 3.12Å; E144-R148 IonicContact OE2-CZ 2.76Å; E144-R148 IonicContact OE2-NE 3.34Å; E144-R148 IonicContact OE2-NH2 2.67Å; E144-R148 PolarHBondContact OE2-NH2 3.41Å |
| 145 | D | 45.2 | Very low | 59 | Low | 70 Ų | 70 | 111.3 Ų | 111.3 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -19.7 | 178.5 | -75.8 | 10.9 | 0 | 0 | 0 | 112.9 | R143 R177 | R143-D145 HydrophobicContact CB-CB 3.68Å; R143-D145 WeakPolarHBondContact CD-OD2 3.31Å; R143-D145 IonicContact CZ-OD2 3.5Å; R143-D145 IonicContact NE-OD2 3.69Å; R143-D145 IonicContact NH1-OD2 2.72Å; R143-D145 PolarHBondContact NH1-OD2 2.83Å; R143-D145 PolarHBondContact O-N 2.59Å; D145-R177 IonicContact OD2-NH2 3.87Å |
| 146 | V | 47.1 | Very low | 56.4 | Low | 94 Ų | 94 | 117.5 Ų | 117.5 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -85.3 | -21.6 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | E144 | E144-V146 PolarHBondContact O-N 2.95Å; E144-V146 VanDerWaalsContact O-N 3.16Å |
| 147 | K | 40.1 | Very low | 53.8 | Low | 167 Ų | 167 | 121 Ų | 121 | 73% | 0.726 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -93.5 | -28.9 | -178.8 | -75.2 | -174 | 178.2 | 178.6 | 0 | 113.5 | E144 T151 | E144-K147 PolarHBondContact O-N 2.85Å; K147-T151 PolarHBondContact O-OG1 2.83Å |
| 148 | R | 43.4 | Very low | 51.1 | Low | 184 Ų | 184 | 132.4 Ų | 132.4 | 69% | 0.694 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.1 | -18.6 | 176.7 | -67.5 | -171.9 | -171.8 | -166 | 3 | 114.8 | E144 | E144-R148 PolarHBondContact O-N 2.94Å; E144-R148 VanDerWaalsContact O-N 3.12Å; E144-R148 IonicContact OE2-CZ 2.76Å; E144-R148 IonicContact OE2-NE 3.34Å; E144-R148 IonicContact OE2-NH2 2.67Å; E144-R148 PolarHBondContact OE2-NH2 3.41Å |
| 149 | Q | 44 | Very low | 48.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -87.2 | -15 | 174.2 | -72.6 | -168.8 | -24.4 | 0 | 0 | 114 | ||
| 150 | R | 43.6 | Very low | 46 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -87.1 | -14.8 | 179.8 | -78.4 | -177.7 | 162.9 | 172.4 | -3.7 | 114.2 | ||
| 151 | T | 41.7 | Very low | 43.2 | Very low | 111 Ų | 111 | 148 Ų | 148 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.5 | -7.7 | -178.9 | 36.1 | 0 | 0 | 0 | 0 | 115 | K147 | K147-T151 PolarHBondContact O-OG1 2.83Š|
| 152 | H | 46.1 | Very low | 40.8 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 82% | 0.819 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -106.5 | 7.7 | 176.4 | -107.1 | -75.7 | 0 | 0 | 0 | 115.1 | ||
| 153 | K | 39.7 | Very low | 39.3 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | trans | -103.9 | 33.4 | 178.8 | -121.9 | 179.7 | -174.9 | -178.3 | 0 | 113.3 | ||||
| 154 | K | 32.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | -104 | 126.8 | 168.4 | -81.4 | -171.5 | 176.2 | -178.8 | 0 | 109.5 | ||||
| 155 | T | 32.1 | Very low | 37.3 | Very low | 122 Ų | 122 | 164.6 Ų | 164.6 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 83.4 | 132.2 | 167.8 | 77.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 156 | N | 35.1 | Very low | 36.5 | Very low | 159 Ų | 159 | 169.6 Ų | 169.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 78.9 | 133.7 | 167.3 | -53.3 | -13.3 | 0 | 0 | 0 | 116.8 | ||||
| 157 | S | 33.9 | Very low | 35.6 | Very low | 89 Ų | 89 | 168.2 Ų | 168.2 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | cis | -172 | 121.9 | -15 | -176.1 | 0 | 0 | 0 | 0 | 102.1 | D159 | S157-D159 PolarHBondContact O-N 3.42Š| ||
| 158 | Y | 30.5 | Very low | 35.3 | Very low | 241 Ų | 241 | 169.8 Ų | 169.8 | 95% | 0.945 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -78.2 | 59.6 | 177.1 | -84.9 | -89.9 | 0 | 0 | 0 | 109.5 | ||
| 159 | D | 35.5 | Very low | 34.6 | Very low | 136 Ų | 136 | 166.1 Ų | 166.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -150.4 | 126.9 | 174.5 | -78 | -51.3 | 0 | 0 | 0 | 109.3 | S157 | S157-D159 PolarHBondContact O-N 3.42Š| ||
| 160 | N | 34 | Very low | 33.9 | Very low | 157 Ų | 157 | 165.4 Ų | 165.4 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | 77.3 | 91.6 | 174.7 | -68.3 | -24.9 | 0 | 0 | 0 | 119 | ||||
| 161 | W | 28.1 | Very low | 33.2 | Very low | 254 Ų | 254 | 163.9 Ų | 163.9 | 96% | 0.962 | 81% | 0.81 | S | S | * | * | trans | -117.2 | 107.4 | 151.5 | -159.2 | -69.3 | 0 | 0 | 0 | 110.8 | ||||
| 162 | P | 31 | Very low | 32.5 | Very low | 104 Ų | 104 | 167.6 Ų | 167.6 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | -83.1 | 136.1 | 174.6 | -8 | 25.5 | 0 | 0 | 0 | 112.3 | K164 | P162-K164 PolarHBondContact O-N 2.94Š| ||
| 163 | R | 34.9 | Very low | 31.9 | Very low | 248 Ų | 248 | 166 Ų | 166 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | trans | -58.6 | 105.1 | 166.2 | -72.7 | 179.6 | -101.6 | -122.8 | -3.2 | 111 | ||||
| 164 | K | 32.9 | Very low | 31.5 | Very low | 175 Ų | 175 | 163.8 Ų | 163.8 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | trans | -165.1 | 146.7 | 154.8 | -128.5 | 173 | 178.9 | -179.2 | 0 | 110.6 | P162 | P162-K164 PolarHBondContact O-N 2.94Š| ||
| 165 | W | 32.5 | Very low | 31.4 | Very low | 227 Ų | 227 | 160 Ų | 160 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 93.9 | 66.1 | 177.3 | -49.3 | 106.3 | 0 | 0 | 0 | 115.8 | ||||
| 166 | L | 28.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -61.3 | 134.8 | 130.1 | -94.5 | 92.2 | 0 | 0 | 0 | 108.1 | ||||
| 167 | G | 28.4 | Very low | 31.1 | Very low | 65 Ų | 65 | 156.6 Ų | 156.6 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 137.4 | 111.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 168 | Q | 33.6 | Very low | 30.9 | Very low | 200 Ų | 200 | 155.8 Ų | 155.8 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | 94.3 | 117.2 | 154.3 | -64.6 | 174.3 | -7.3 | 0 | 0 | 118.8 | ||||
| 169 | S | 27.8 | Very low | 31.3 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -50.1 | 137.7 | 168.2 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 170 | V | 29.5 | Very low | 31.4 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | -153.8 | 125.7 | 117.1 | 171.6 | 0 | 0 | 0 | 0 | 107 | |||||
| 171 | Q | 28.3 | Very low | 31.7 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -68.7 | 130.8 | 172.1 | -80 | 149.6 | -62.6 | 0 | 0 | 110.1 | ||||
| 172 | E | 29 | Very low | 32.5 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -156.1 | 109.6 | 141.4 | -111.9 | 171.2 | -151.6 | 0 | 0 | 109.7 | ||||
| 173 | T | 31.9 | Very low | 33.2 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | trans | -78.2 | 137 | -174.3 | -7.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 174 | I | 31 | Very low | 33.8 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | trans | -73 | -176.2 | 177.4 | -30.5 | 177.8 | 0 | 0 | 0 | 110.3 | ||||
| 175 | P | 30.8 | Very low | 34.6 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 66% | 0.662 | 66% | 0.662 | S | S | * | * | -124.7 | 177.2 | -99.1 | 42.9 | -25.5 | 0 | 0 | 0 | 115.2 | |||||
| 176 | S | 28.8 | Very low | 35.4 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 46% | 0.462 | 64% | 0.642 | S | S | . | * | trans | 20.4 | 121 | 141.8 | -38.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 177 | R | 32.5 | Very low | 36.3 | Very low | 143 Ų | 143 | 121.6 Ų | 121.6 | 54% | 0.54 | 65% | 0.645 | S | S | . | * | trans | 162.7 | 125.7 | 140.8 | -98.6 | 174.7 | 157.1 | 144.1 | -6.8 | 112 | R143 D145 T179 | R143-R177 VanDerWaalsContact NH1-NE 3.15Å; D145-R177 IonicContact OD2-NH2 3.87Å; R177-T179 HydrophobicContact CB-CG2 4.04Å; R177-T179 HydrophobicContact CG-CG2 3.65Å; R177-T179 VanDerWaalsContact NE-CG2 3.33Å | ||
| 178 | T | 30.3 | Very low | 37.4 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | trans | -92.9 | 117 | 141.1 | 19.8 | 0 | 0 | 0 | 0 | 105.5 | E203 | T178-E203 VanDerWaalsContact CB-OE2 3.25Å; T178-E203 WeakPolarHBondContact CB-OE2 3.11Å; T178-E203 WeakPolarHBondContact CG2-OE2 3.17Å | ||
| 179 | T | 39.2 | Very low | 38.1 | Very low | 49 Ų | 49 | 114.5 Ų | 114.5 | 30% | 0.301 | 60% | 0.599 | S | S | . | * | trans | -134.5 | 120.5 | 178.9 | 34.8 | 0 | 0 | 0 | 0 | 104.2 | R177 R181 E203 | R177-T179 HydrophobicContact CB-CG2 4.04Å; R177-T179 HydrophobicContact CG-CG2 3.65Å; R177-T179 VanDerWaalsContact NE-CG2 3.33Å; T179-R181 PolarHBondContact O-N 2.81Å; T179-E203 VanDerWaalsContact C-OE1 3.25Å; T179-E203 PolarHBondContact N-OE1 2.92Å | ||
| 180 | S | 36.8 | Very low | 39.3 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 75% | 0.748 | 59% | 0.593 | S | S | * | * | trans | -46.3 | 94.9 | 153.5 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 181 | R | 40.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 45% | 0.453 | 58% | 0.582 | S | S | . | * | trans | -83.3 | 129.4 | 174.4 | -78.1 | -158.6 | 179 | 175.3 | 1.4 | 105.8 | T179 L183 E185 | T179-R181 PolarHBondContact O-N 2.81Å; R181-L183 PolarHBondContact O-N 2.89Å; R181-E185 WeakPolarHBondContact CA-OE2 3.36Å; R181-E185 HydrophobicContact CB-CB 4.25Å; R181-E185 WeakPolarHBondContact CB-OE2 3.28Å; R181-E185 VanDerWaalsContact CD-OE2 3.27Å; R181-E185 WeakPolarHBondContact CD-OE2 3.18Å; R181-E185 WeakPolarHBondContact CG-OE2 3.48Å; R181-E185 IonicContact NE-OE2 3.62Å | ||
| 182 | R | 45.3 | Very low | 41 | Very low | 199 Ų | 199 | 107.2 Ų | 107.2 | 75% | 0.751 | 56% | 0.558 | S | S | * | * | trans | -52.5 | 137.3 | 169.6 | -159.8 | -177.3 | -117 | -175.7 | -3.1 | 106.8 | S184 E185 | R182-S184 WeakPolarHBondContact CB-OG 3.48Å; R182-S184 WeakPolarHBondContact CD-OG 3.09Å; R182-S184 WeakPolarHBondContact CG-OG 3.49Å; R182-S184 PolarHBondContact O-N 3.14Å; R182-E185 PolarHBondContact O-N 2.82Å | ||
| 183 | L | 45.5 | Very low | 41.8 | Very low | 49 Ų | 49 | 104.8 Ų | 104.8 | 26% | 0.257 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -46.8 | -22.4 | 172.8 | -91.4 | 157.1 | 0 | 0 | 0 | 112.6 | R181 E185 W186 V188 G199 | R181-L183 PolarHBondContact O-N 2.89Å; L183-E185 VanDerWaalsContact C-N 3.26Å; L183-E185 PolarHBondContact O-N 2.84Å; L183-W186 PolarHBondContact O-N 2.9Å; L183-V188 HydrophobicContact CD2-CG2 3.89Å; L183-G199 WeakPolarHBondContact CD1-O 3.03Å |
| 184 | S | 46.8 | Very low | 42.6 | Very low | 57 Ų | 57 | 102.2 Ų | 102.2 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.9 | 173.3 | 64.8 | 0 | 0 | 0 | 0 | 115.9 | R182 R193 | R182-S184 WeakPolarHBondContact CB-OG 3.48Å; R182-S184 WeakPolarHBondContact CD-OG 3.09Å; R182-S184 WeakPolarHBondContact CG-OG 3.49Å; R182-S184 PolarHBondContact O-N 3.14Å; S184-R193 PolarHBondContact O-NH2 3.28Å |
| 185 | E | 51.1 | Low | 43 | Very low | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -91.5 | -3.3 | -179.3 | -74.6 | 179.9 | 138.8 | 0 | 0 | 113.8 | R181 R182 L183 | R181-E185 WeakPolarHBondContact CA-OE2 3.36Å; R181-E185 HydrophobicContact CB-CB 4.25Å; R181-E185 WeakPolarHBondContact CB-OE2 3.28Å; R181-E185 VanDerWaalsContact CD-OE2 3.27Å; R181-E185 WeakPolarHBondContact CD-OE2 3.18Å; R181-E185 WeakPolarHBondContact CG-OE2 3.48Å; R181-E185 IonicContact NE-OE2 3.62Å; R182-E185 PolarHBondContact O-N 2.82Å; L183-E185 VanDerWaalsContact C-N 3.26Å; L183-E185 PolarHBondContact O-N 2.84Å |
| 186 | W | 47.8 | Very low | 43.5 | Very low | 115 Ų | 115 | 98.5 Ų | 98.5 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -102.8 | 140.5 | 170.9 | -65.3 | 98.7 | 0 | 0 | 0 | 108.8 | L183 V188 | L183-W186 PolarHBondContact O-N 2.9Å; W186-V188 HydrophobicContact CB-CG2 3.8Å; W186-V188 PolarHBondContact O-N 2.67Å |
| 187 | N | 48.4 | Very low | 43.9 | Very low | 186 Ų | 186 | 98.3 Ų | 98.3 | 100% | 0.995 | 51% | 0.511 | S | S | * | . | trans | -69.3 | 63 | 171.4 | -88 | -7 | 0 | 0 | 0 | 109.9 | ||||
| 188 | V | 49.8 | Very low | 44.4 | Very low | 28 Ų | 28 | 99.3 Ų | 99.3 | 17% | 0.17 | 52% | 0.515 | C | S | . | . | trans | -83.3 | 136.7 | 171.2 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | L183 W186 L192 | L183-V188 HydrophobicContact CD2-CG2 3.89Å; W186-V188 HydrophobicContact CB-CG2 3.8Å; W186-V188 PolarHBondContact O-N 2.67Å; V188-L192 HydrophobicContact CG1-CB 4.26Å; V188-L192 HydrophobicContact CG1-CD1 3.93Å | ||
| 189 | D | 50.2 | Low | 44.6 | Very low | 87 Ų | 87 | 96.5 Ų | 96.5 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | trans | -44.2 | 123.8 | 179.8 | -164.1 | -35.6 | 0 | 0 | 0 | 111 | D191 L192 | D189-D191 PolarHBondContact O-N 2.66Å; D189-D191 VanDerWaalsContact O-N 3.16Å; D189-D191 WeakPolarHBondContact OD1-CB 3.02Å; D189-D191 PolarHBondContact OD1-N 3.34Å; D189-L192 HydrophobicContact CB-CD1 3.82Å; D189-L192 HydrophobicContact CB-CG 4.13Å; D189-L192 WeakPolarHBondContact O-CB 3.03Å; D189-L192 PolarHBondContact O-N 2.83Å | ||
| 190 | P | 52 | Low | 44.6 | Very low | 95 Ų | 95 | 100.2 Ų | 100.2 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.6 | -26.5 | 178 | 21.1 | -31.5 | 0 | 0 | 0 | 113.2 | L192 R193 | P190-L192 PolarHBondContact O-N 2.92Å; P190-R193 WeakPolarHBondContact O-CB 3.45Å; P190-R193 PolarHBondContact O-N 3.25Å; P190-R193 VanDerWaalsContact O-N 3.15Å |
| 191 | D | 48.4 | Very low | 44.6 | Very low | 114 Ų | 114 | 97.2 Ų | 97.2 | 61% | 0.61 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.7 | -19.3 | 177.2 | -69.3 | -17.2 | 0 | 0 | 0 | 112.8 | D189 S194 N195 | D189-D191 PolarHBondContact O-N 2.66Å; D189-D191 VanDerWaalsContact O-N 3.16Å; D189-D191 WeakPolarHBondContact OD1-CB 3.02Å; D189-D191 PolarHBondContact OD1-N 3.34Å; D191-S194 PolarHBondContact O-OG 3.47Å; D191-N195 PolarHBondContact O-ND2 3.19Å |
| 192 | L | 44.6 | Very low | 44.6 | Very low | 61 Ų | 61 | 94.9 Ų | 94.9 | 32% | 0.319 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -81.9 | -23.2 | 172.7 | -69.2 | 164.8 | 0 | 0 | 0 | 112.2 | V188 D189 P190 I197 | V188-L192 HydrophobicContact CG1-CB 4.26Å; V188-L192 HydrophobicContact CG1-CD1 3.93Å; D189-L192 HydrophobicContact CB-CD1 3.82Å; D189-L192 HydrophobicContact CB-CG 4.13Å; D189-L192 WeakPolarHBondContact O-CB 3.03Å; D189-L192 PolarHBondContact O-N 2.83Å; P190-L192 PolarHBondContact O-N 2.92Å; L192-I197 HydrophobicContact CD2-CD1 3.62Å |
| 193 | R | 46.4 | Very low | 44.4 | Very low | 137 Ų | 137 | 88.1 Ų | 88.1 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76.5 | -28 | 177.7 | -67.7 | -171.2 | -176.3 | -168.5 | 9.7 | 112.8 | S184 P190 | S184-R193 PolarHBondContact O-NH2 3.28Å; P190-R193 WeakPolarHBondContact O-CB 3.45Å; P190-R193 PolarHBondContact O-N 3.25Å; P190-R193 VanDerWaalsContact O-N 3.15Å |
| 194 | S | 48.2 | Very low | 44 | Very low | 89 Ų | 89 | 88.3 Ų | 88.3 | 62% | 0.622 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.7 | -26 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | D191 G196 | D191-S194 PolarHBondContact O-OG 3.47Å; S194-G196 VanDerWaalsContact C-N 3.32Å; S194-G196 PolarHBondContact O-N 3.48Å |
| 195 | N | 40 | Very low | 43.5 | Very low | 119 Ų | 119 | 87 Ų | 87 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 13.6 | -175.2 | -69.1 | -22.1 | 0 | 0 | 0 | 114.6 | D191 I197 | D191-N195 PolarHBondContact O-ND2 3.19Å; N195-I197 HydrophobicContact CB-CD1 4.18Å; N195-I197 HydrophobicContact CB-CG1 4.13Å; N195-I197 PolarHBondContact O-N 2.73Å; N195-I197 VanDerWaalsContact O-N 3.1Å |
| 196 | G | 40.3 | Very low | 43.1 | Very low | 57 Ų | 57 | 86 Ų | 86 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 13.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | S194 R198 | S194-G196 VanDerWaalsContact C-N 3.32Å; S194-G196 PolarHBondContact O-N 3.48Å; G196-R198 PolarHBondContact O-N 2.04Å; G196-R198 VanDerWaalsContact O-N 3.12Å |
| 197 | I | 37.9 | Very low | 42.7 | Very low | 63 Ų | 63 | 84.6 Ų | 84.6 | 32% | 0.323 | 45% | 0.449 | S | S | . | . | trans | -67.8 | 110.9 | -179 | -59.1 | 172 | 0 | 0 | 0 | 108.9 | L192 N195 Y229 | L192-I197 HydrophobicContact CD2-CD1 3.62Å; N195-I197 HydrophobicContact CB-CD1 4.18Å; N195-I197 HydrophobicContact CB-CG1 4.13Å; N195-I197 PolarHBondContact O-N 2.73Å; N195-I197 VanDerWaalsContact O-N 3.1Å; I197-Y229 HydrophobicContact CG2-CD1 4.01Å | ||
| 198 | R | 43 | Very low | 42.3 | Very low | 163 Ų | 163 | 77.9 Ų | 77.9 | 62% | 0.615 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.9 | 167.7 | -67.6 | -175.2 | -176.2 | -164.3 | 3.5 | 107.8 | G196 E230 | G196-R198 PolarHBondContact O-N 2.04Å; G196-R198 VanDerWaalsContact O-N 3.12Å; R198-E230 WeakPolarHBondContact O-CB 3.4Å; R198-E230 PolarHBondContact O-N 2.82Å |
| 199 | G | 35.2 | Very low | 42 | Very low | 13 Ų | 13 | 80.9 Ų | 80.9 | 13% | 0.134 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L183 L228 | L183-G199 WeakPolarHBondContact CD1-O 3.03Å; G199-L228 WeakPolarHBondContact CA-O 3.03Å |
| 200 | F | 38.6 | Very low | 41.4 | Very low | 127 Ų | 127 | 81 Ų | 81 | 56% | 0.557 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.9 | 172 | -58.8 | -87.8 | 0 | 0 | 0 | 109 | L228 | F200-L228 PolarHBondContact N-O 2.79Å; F200-L228 PolarHBondContact O-N 3.5Å; F200-L228 VanDerWaalsContact O-N 3.08Å |
| 201 | V | 37.9 | Very low | 41.1 | Very low | 44 Ų | 44 | 81.3 Ų | 81.3 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 117.8 | 173 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | E203 P225 | V201-E203 PolarHBondContact O-N 3.38Å; V201-P225 HydrophobicContact CG1-CB 4.02Å |
| 202 | I | 39.1 | Very low | 40.5 | Very low | 72 Ų | 72 | 84.5 Ų | 84.5 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.5 | 170.4 | -59.9 | -179.3 | 0 | 0 | 0 | 107.8 | V226 L228 | I202-V226 PolarHBondContact N-O 2.74Å; I202-V226 PolarHBondContact O-N 3.33Å; I202-L228 HydrophobicContact CD1-CD1 3.43Å; I202-L228 VanDerWaalsContact CD1-CD1 3.43Å; I202-L228 HydrophobicContact CD1-CG 3.93Å; I202-L228 HydrophobicContact CG1-CD1 4.39Å |
| 203 | E | 42 | Very low | 40.4 | Very low | 56 Ų | 56 | 88.6 Ų | 88.6 | 26% | 0.262 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 145.1 | 170.9 | -66.6 | -171.6 | 159.9 | 0 | 0 | 110.7 | T178 T179 V201 S205 | T178-E203 VanDerWaalsContact CB-OE2 3.25Å; T178-E203 WeakPolarHBondContact CB-OE2 3.11Å; T178-E203 WeakPolarHBondContact CG2-OE2 3.17Å; T179-E203 VanDerWaalsContact C-OE1 3.25Å; T179-E203 PolarHBondContact N-OE1 2.92Å; V201-E203 PolarHBondContact O-N 3.38Å; E203-S205 PolarHBondContact O-N 3.4Å |
| 204 | P | 35.4 | Very low | 40.1 | Very low | 54 Ų | 54 | 89.3 Ų | 89.3 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123.4 | -178.3 | 22.7 | -32 | 0 | 0 | 0 | 111.4 | Y222 | P204-Y222 WeakPolarHBondContact CB-O 3.38Š|
| 205 | S | 38.1 | Very low | 39.3 | Very low | 29 Ų | 29 | 89.1 Ų | 89.1 | 20% | 0.203 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 138.2 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | E203 L221 | E203-S205 PolarHBondContact O-N 3.4Å; S205-L221 PolarHBondContact O-N 3Å |
| 206 | I | 41.6 | Very low | 39.2 | Very low | 98 Ų | 98 | 89.6 Ų | 89.6 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.2 | 176.7 | -58.4 | 176.7 | 0 | 0 | 0 | 109 | L3 V218 | L3-I206 HydrophobicContact CD1-CD1 4.25Å; I206-V218 HydrophobicContact CG2-CG1 3.28Å |
| 207 | R | 40.3 | Very low | 38.7 | Very low | 84 Ų | 84 | 91.8 Ų | 91.8 | 32% | 0.317 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.3 | 172.5 | -179.4 | 176.8 | -99 | -178 | -8.4 | 109.7 | E25 Q209 V218 T219 | E25-R207 IonicContact OE1-CZ 2.92Å; E25-R207 IonicContact OE1-NE 3.8Å; E25-R207 IonicContact OE1-NH2 3.53Å; E25-R207 PolarHBondContact OE1-NH2 2.74Å; E25-R207 IonicContact OE2-CZ 3.56Å; E25-R207 IonicContact OE2-NE 3.71Å; E25-R207 PolarHBondContact OE2-NE 2.98Å; E25-R207 IonicContact OE2-NH2 3.31Å; E25-R207 PolarHBondContact OE2-NH2 2.81Å; R207-Q209 HydrophobicContact CG-CG 4.4Å; R207-V218 WeakPolarHBondContact O-CA 3.22Å; R207-T219 PolarHBondContact N-O 3.48Å; R207-T219 PolarHBondContact O-N 2.86Å |
| 208 | A | 38.8 | Very low | 38.6 | Very low | 46 Ų | 46 | 93.3 Ų | 93.3 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F216 E217 | A208-F216 HydrophobicContact CB-CB 4.48Å; A208-F216 HydrophobicContact CB-CD1 4.36Å; A208-E217 WeakPolarHBondContact CA-O 3.41Å |
| 209 | Q | 43.7 | Very low | 38.1 | Very low | 90 Ų | 90 | 88.5 Ų | 88.5 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.3 | 174.5 | -65.4 | -171.2 | 5 | 0 | 0 | 110.2 | R207 Q211 F216 E217 | R207-Q209 HydrophobicContact CG-CG 4.4Å; Q209-Q211 PolarHBondContact O-N 2.88Å; Q209-F216 WeakPolarHBondContact O-CA 3.24Å; Q209-E217 PolarHBondContact N-O 2.93Å; Q209-E217 PolarHBondContact O-N 2.96Å; Q209-E217 VanDerWaalsContact O-N 3.15Å |
| 210 | P | 37.8 | Very low | 38 | Very low | 89 Ų | 89 | 96.4 Ų | 96.4 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.7 | 173 | 27.8 | -30.5 | 0 | 0 | 0 | 110.2 | F216 | P210-F216 HydrophobicContact CB-CD1 4.35Å; P210-F216 HydrophobicContact CB-CE1 3.97Å |
| 211 | Q | 46.5 | Very low | 38.1 | Very low | 102 Ų | 102 | 94.5 Ų | 94.5 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 159 | 165.8 | -70.7 | -158.8 | -4.1 | 0 | 0 | 111.5 | Q209 N213 N214 V215 E217 | Q209-Q211 PolarHBondContact O-N 2.88Å; Q211-N213 PolarHBondContact O-N 3.47Å; Q211-N214 PolarHBondContact O-N 3.2Å; Q211-V215 WeakPolarHBondContact CB-O 3.48Å; Q211-V215 PolarHBondContact N-O 2.7Å; Q211-E217 PolarHBondContact NE2-OE2 3.36Å |
| 212 | E | 35.9 | Very low | 38 | Very low | 181 Ų | 181 | 98.3 Ų | 98.3 | 85% | 0.846 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 126.9 | 163.1 | -84.2 | 179 | 146.7 | 0 | 0 | 108.3 | ||
| 213 | N | 42 | Very low | 38 | Very low | 147 Ų | 147 | 103.6 Ų | 103.6 | 79% | 0.786 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 19.3 | -174.7 | -47.2 | -28.5 | 0 | 0 | 0 | 117.6 | Q211 V215 | Q211-N213 PolarHBondContact O-N 3.47Å; N213-V215 PolarHBondContact O-N 2.7Å; N213-V215 VanDerWaalsContact O-N 3.16Å |
| 214 | N | 40.5 | Very low | 37.7 | Very low | 153 Ų | 153 | 108.1 Ų | 108.1 | 82% | 0.818 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 60.6 | 21.4 | 177.7 | -58 | -40.7 | 0 | 0 | 0 | 114 | Q211 | Q211-N214 PolarHBondContact O-N 3.2Š|
| 215 | V | 30.9 | Very low | 37.8 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 130.5 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | Q211 N213 | Q211-V215 WeakPolarHBondContact CB-O 3.48Å; Q211-V215 PolarHBondContact N-O 2.7Å; N213-V215 PolarHBondContact O-N 2.7Å; N213-V215 VanDerWaalsContact O-N 3.16Å |
| 216 | F | 37.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 110.1 Ų | 110.1 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 122 | 176.3 | -67.3 | -89.5 | 0 | 0 | 0 | 109.4 | A208 Q209 P210 | A208-F216 HydrophobicContact CB-CB 4.48Å; A208-F216 HydrophobicContact CB-CD1 4.36Å; Q209-F216 WeakPolarHBondContact O-CA 3.24Å; P210-F216 HydrophobicContact CB-CD1 4.35Å; P210-F216 HydrophobicContact CB-CE1 3.97Å |
| 217 | E | 29.7 | Very low | 37.5 | Very low | 104 Ų | 104 | 108.8 Ų | 108.8 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.6 | 170.8 | -168.3 | 175.8 | 177 | 0 | 0 | 109.3 | A208 Q209 Q211 | A208-E217 WeakPolarHBondContact CA-O 3.41Å; Q209-E217 PolarHBondContact N-O 2.93Å; Q209-E217 PolarHBondContact O-N 2.96Å; Q209-E217 VanDerWaalsContact O-N 3.15Å; Q211-E217 PolarHBondContact NE2-OE2 3.36Å |
| 218 | V | 35.6 | Very low | 37.1 | Very low | 94 Ų | 94 | 109.2 Ų | 109.2 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.5 | -174.3 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | I206 R207 | I206-V218 HydrophobicContact CG2-CG1 3.28Å; R207-V218 WeakPolarHBondContact O-CA 3.22Å |
| 219 | T | 33.1 | Very low | 36.9 | Very low | 63 Ų | 63 | 113 Ų | 113 | 39% | 0.387 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.1 | 177.4 | -39.6 | 0 | 0 | 0 | 0 | 110.1 | R207 | R207-T219 PolarHBondContact N-O 3.48Å; R207-T219 PolarHBondContact O-N 2.86Å |
| 220 | R | 32.6 | Very low | 36.4 | Very low | 178 Ų | 178 | 112.6 Ų | 112.6 | 67% | 0.672 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.1 | 167.2 | -69 | -173.5 | -172.9 | 177.1 | 4.6 | 108.9 | Y222 | R220-Y222 VanDerWaalsContact C-N 3.34Å |
| 221 | L | 41.4 | Very low | 36.2 | Very low | 88 Ų | 88 | 113.8 Ų | 113.8 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -79.9 | -19.1 | 177.1 | -69.1 | 169.6 | 0 | 0 | 0 | 112.8 | S205 | S205-L221 PolarHBondContact O-N 3Š|
| 222 | Y | 36.5 | Very low | 35.6 | Very low | 124 Ų | 124 | 115 Ų | 115 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | trans | -145.9 | 139.2 | 176.6 | -56.1 | -81.5 | 0 | 0 | 0 | 110 | P204 R220 V226 | P204-Y222 WeakPolarHBondContact CB-O 3.38Å; R220-Y222 VanDerWaalsContact C-N 3.34Å; Y222-V226 HydrophobicContact CD1-CG2 4.07Å; Y222-V226 HydrophobicContact CE1-CG2 4.41Å; Y222-V226 HydrophobicContact CG-CG2 4.49Å | ||
| 223 | E | 38.6 | Very low | 35.5 | Very low | 183 Ų | 183 | 115.5 Ų | 115.5 | 86% | 0.855 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -83.1 | -25.8 | 173.9 | -71.5 | -176 | 159.3 | 0 | 0 | 112.1 | ||
| 224 | E | 36.3 | Very low | 34.8 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -130.1 | 150.1 | -176.9 | -63.9 | -172.5 | 165 | 0 | 0 | 111.7 | V226 | E224-V226 PolarHBondContact O-N 3.42Š|
| 225 | P | 35.5 | Very low | 34.3 | Very low | 69 Ų | 69 | 114.9 Ų | 114.9 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 130.9 | 176.7 | 26.4 | -32.6 | 0 | 0 | 0 | 111 | V201 | V201-P225 HydrophobicContact CG1-CB 4.02Š|
| 226 | V | 35.2 | Very low | 34.2 | Very low | 56 Ų | 56 | 118.4 Ų | 118.4 | 34% | 0.339 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.8 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | I202 Y222 E224 L228 | I202-V226 PolarHBondContact N-O 2.74Å; I202-V226 PolarHBondContact O-N 3.33Å; Y222-V226 HydrophobicContact CD1-CG2 4.07Å; Y222-V226 HydrophobicContact CE1-CG2 4.41Å; Y222-V226 HydrophobicContact CG-CG2 4.49Å; E224-V226 PolarHBondContact O-N 3.42Å; V226-L228 HydrophobicContact CG1-CD2 4.07Å; V226-L228 HydrophobicContact CG1-CG 4.42Å |
| 227 | I | 38.4 | Very low | 33.8 | Very low | 70 Ų | 70 | 120.7 Ų | 120.7 | 36% | 0.359 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.6 | 173.9 | -54.8 | 176.6 | 0 | 0 | 0 | 107.6 | Y229 | I227-Y229 HydrophobicContact CG2-CD1 4.28Å; I227-Y229 HydrophobicContact CG2-CE1 3.69Å; I227-Y229 HydrophobicContact CG2-CE2 4.02Å |
| 228 | L | 32.5 | Very low | 33.8 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.5 | 169.6 | -64.1 | -176 | 0 | 0 | 0 | 109.1 | G199 F200 I202 V226 | G199-L228 WeakPolarHBondContact CA-O 3.03Å; F200-L228 PolarHBondContact N-O 2.79Å; F200-L228 PolarHBondContact O-N 3.5Å; F200-L228 VanDerWaalsContact O-N 3.08Å; I202-L228 HydrophobicContact CD1-CD1 3.43Å; I202-L228 VanDerWaalsContact CD1-CD1 3.43Å; I202-L228 HydrophobicContact CD1-CG 3.93Å; I202-L228 HydrophobicContact CG1-CD1 4.39Å; V226-L228 HydrophobicContact CG1-CD2 4.07Å; V226-L228 HydrophobicContact CG1-CG 4.42Å |
| 229 | Y | 35.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 49% | 0.49 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.6 | 175.7 | -55.4 | -79.8 | 0 | 0 | 0 | 109.2 | I197 I227 | I197-Y229 HydrophobicContact CG2-CD1 4.01Å; I227-Y229 HydrophobicContact CG2-CD1 4.28Å; I227-Y229 HydrophobicContact CG2-CE1 3.69Å; I227-Y229 HydrophobicContact CG2-CE2 4.02Å |
| 230 | E | 33.7 | Very low | 33 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 38% | 0.383 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.6 | 168 | -170 | 168.7 | -151.9 | 0 | 0 | 107.9 | R198 H232 | R198-E230 WeakPolarHBondContact O-CB 3.4Å; R198-E230 PolarHBondContact O-N 2.82Å; E230-H232 IonicContact OE1-NE2 3.8Å; E230-H232 IonicContact OE2-NE2 3.79Å |
| 231 | V | 31.9 | Very low | 32.7 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | trans | -91.8 | 100.8 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 232 | H | 34.7 | Very low | 32 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 58% | 0.583 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -78 | 133.5 | 168.1 | -80.1 | -83.1 | 0 | 0 | 0 | 109.8 | E230 | E230-H232 IonicContact OE1-NE2 3.8Å; E230-H232 IonicContact OE2-NE2 3.79Å |
| 233 | E | 34.6 | Very low | 31.4 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 137.1 | -175.8 | -109 | 169.6 | 156.4 | 0 | 0 | 114 | A235 | E233-A235 PolarHBondContact O-N 2.86Š|
| 234 | F | 27.5 | Very low | 30.7 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -67 | 116.3 | 177.2 | -68.1 | -95.7 | 0 | 0 | 0 | 110.8 | ||
| 235 | A | 29 | Very low | 30.2 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | trans | -135.1 | 117.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E233 | E233-A235 PolarHBondContact O-N 2.86Š| ||
| 236 | N | 28.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | 74.1 | 69.9 | 161.2 | -55.8 | -32.8 | 0 | 0 | 0 | 118.5 | ||||
| 237 | I | 29.5 | Very low | 29.2 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -132.3 | 127.2 | 143.8 | -57.9 | -180 | 0 | 0 | 0 | 107.7 | ||||
| 238 | G | 29.3 | Very low | 28.6 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -56 | 151.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | D240 | G238-D240 PolarHBondContact O-N 3.28Å; G238-D240 VanDerWaalsContact O-N 3.12Å | ||
| 239 | L | 24.7 | Very low | 28.3 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -44.4 | 117.9 | 162.8 | -78.2 | 90 | 0 | 0 | 0 | 108.7 | ||
| 240 | D | 26.9 | Very low | 27.9 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 164.1 | 63.3 | 141.1 | -78.4 | -16.3 | 0 | 0 | 0 | 108.8 | G238 | G238-D240 PolarHBondContact O-N 3.28Å; G238-D240 VanDerWaalsContact O-N 3.12Å | ||
| 241 | T | 26.2 | Very low | 27.7 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 176.8 | 91.8 | 156 | 20.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 242 | F | 26.4 | Very low | 27.5 | Very low | 213 Ų | 213 | 143.5 Ų | 143.5 | 93% | 0.934 | 82% | 0.818 | S | S | * | * | trans | 162.1 | 110.4 | 140.9 | -100.5 | -85.7 | 0 | 0 | 0 | 108.9 | ||||
| 243 | Q | 25.4 | Very low | 27.2 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -76.8 | 143.2 | 179.4 | -77.1 | -179.9 | -40.1 | 0 | 0 | 112 | ||||
| 244 | S | 23.7 | Very low | 27 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | 82.1 | 94.5 | 145.8 | -174.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 245 | S | 24.7 | Very low | 27.2 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | -162.7 | 128.6 | 87.8 | 70.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 246 | T | 24.8 | Very low | 27.2 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -94.9 | 132.8 | -173.2 | 42.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 247 | V | 25.5 | Very low | 27.4 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -141.4 | 119.9 | 139.6 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 248 | P | 25 | Very low | 27.4 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 83% | 0.825 | S | S | * | * | trans | -98.9 | 144.1 | -176.5 | 35.6 | -29 | 0 | 0 | 0 | 112.3 | ||||
| 249 | V | 28 | Very low | 27.5 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 87% | 0.873 | 83% | 0.83 | S | S | * | * | trans | -132.7 | 124.1 | 157.8 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 250 | N | 25.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | trans | -78.3 | 139.1 | -172.9 | -64.1 | -56.5 | 0 | 0 | 0 | 113.1 | ||||
| 251 | V | 30.5 | Very low | 27.8 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 92% | 0.915 | 82% | 0.818 | S | S | * | * | trans | -144 | 137.3 | 146.6 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 252 | A | 27 | Very low | 27.9 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -78 | 165.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 253 | P | 28.7 | Very low | 28.1 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -96.3 | 145.8 | -169.2 | 36.3 | -30.5 | 0 | 0 | 0 | 114.3 | ||||
| 254 | G | 29.7 | Very low | 28.3 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 161.7 | 88.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 255 | L | 31.7 | Very low | 28.8 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | 170.4 | 110.1 | 142 | -94.1 | 152.4 | 0 | 0 | 0 | 109.8 | ||||
| 256 | T | 30 | Very low | 29.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 128 | 172.6 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 257 | N | 32 | Very low | 29.6 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -147.1 | 111.6 | 153.6 | -85.8 | -33.7 | 0 | 0 | 0 | 107.9 | ||||
| 258 | F | 30.7 | Very low | 30.1 | Very low | 207 Ų | 207 | 127.9 Ų | 127.9 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 117 | 169.9 | -90.8 | -94.3 | 0 | 0 | 0 | 108.5 | ||||
| 259 | V | 30.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -114.5 | 109.7 | 159.2 | 179.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 260 | S | 28.5 | Very low | 31 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -86.6 | 110 | 170.8 | -166.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 261 | A | 29.9 | Very low | 32 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | trans | -91.7 | 119.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | F263 | A261-F263 HydrophobicContact CB-CD2 4.34Å; A261-F263 HydrophobicContact CB-CE2 4.03Å | ||
| 262 | A | 28.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 73% | 0.726 | S | S | * | * | trans | -94.4 | 113.8 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 263 | F | 29.1 | Very low | 33.5 | Very low | 179 Ų | 179 | 118.2 Ų | 118.2 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -89.9 | 122 | 169.8 | -79.7 | -96.4 | 0 | 0 | 0 | 108.8 | A261 | A261-F263 HydrophobicContact CB-CD2 4.34Å; A261-F263 HydrophobicContact CB-CE2 4.03Å | ||
| 264 | V | 29.9 | Very low | 34.4 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | trans | -101.3 | 108.7 | 169.6 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 265 | Q | 35.6 | Very low | 35.2 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | trans | -87.6 | 115 | 175.4 | -165.8 | 162.2 | -41.7 | 0 | 0 | 109.6 | D267 | Q265-D267 PolarHBondContact NE2-OD2 2.78Š| ||
| 266 | L | 32.3 | Very low | 35.8 | Very low | 79 Ų | 79 | 116.7 Ų | 116.7 | 41% | 0.414 | 66% | 0.662 | S | S | . | * | trans | -99 | 88.1 | 174.9 | -83.1 | 159.9 | 0 | 0 | 0 | 109.1 | I277 V281 | L266-I277 HydrophobicContact CD2-CG2 4Å; L266-V281 HydrophobicContact CD1-CG2 4.42Å | ||
| 267 | D | 34.3 | Very low | 37 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | trans | -84.7 | 120.8 | 175.5 | -75 | -37.1 | 0 | 0 | 0 | 111.4 | Q265 | Q265-D267 PolarHBondContact NE2-OD2 2.78Š| ||
| 268 | V | 34.6 | Very low | 38.1 | Very low | 140 Ų | 140 | 111 Ų | 111 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | trans | 55.3 | 82.2 | 155 | -163.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 269 | L | 33.4 | Very low | 39.5 | Very low | 78 Ų | 78 | 104 Ų | 104 | 41% | 0.408 | 60% | 0.598 | S | S | . | * | trans | -118.5 | 132.7 | 160.6 | -79.7 | 145.7 | 0 | 0 | 0 | 109 | A273 I277 | L269-A273 HydrophobicContact CB-CB 4.12Å; L269-A273 HydrophobicContact CD2-CB 4.12Å; L269-I277 HydrophobicContact CD1-CD1 3.35Å; L269-I277 HydrophobicContact CD2-CD1 4.06Å; L269-I277 HydrophobicContact CG-CD1 4.19Å | ||
| 270 | S | 38.2 | Very low | 40.9 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | trans | -51.4 | 145.6 | 177.2 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | S272 A273 Y274 | S270-S272 VanDerWaalsContact C-N 3.26Å; S270-S272 PolarHBondContact O-N 2.04Å; S270-A273 WeakPolarHBondContact O-CB 3.44Å; S270-A273 PolarHBondContact O-N 2.97Å; S270-Y274 PolarHBondContact O-N 3.48Å | ||
| 271 | D | 46.8 | Very low | 42.5 | Very low | 142 Ų | 142 | 101 Ų | 101 | 76% | 0.759 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -41.5 | -32.4 | -166.6 | -76.1 | -35.7 | 0 | 0 | 0 | 118.2 | ||
| 272 | S | 45.1 | Very low | 44.1 | Very low | 100 Ų | 100 | 99.1 Ų | 99.1 | 70% | 0.699 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -81.2 | -29.7 | 178 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | S270 | S270-S272 VanDerWaalsContact C-N 3.26Å; S270-S272 PolarHBondContact O-N 2.04Å |
| 273 | A | 44.6 | Very low | 45.7 | Very low | 26 Ų | 26 | 99 Ų | 99 | 22% | 0.215 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -79.2 | -30.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L269 S270 A276 I277 | L269-A273 HydrophobicContact CB-CB 4.12Å; L269-A273 HydrophobicContact CD2-CB 4.12Å; S270-A273 WeakPolarHBondContact O-CB 3.44Å; S270-A273 PolarHBondContact O-N 2.97Å; A273-A276 PolarHBondContact O-N 3.03Å; A273-I277 HydrophobicContact CB-CD1 4.24Å; A273-I277 VanDerWaalsContact O-CB 3.26Å; A273-I277 WeakPolarHBondContact O-CB 3.32Å; A273-I277 WeakPolarHBondContact O-CD1 3.49Å; A273-I277 VanDerWaalsContact O-CG1 3.23Å; A273-I277 WeakPolarHBondContact O-CG1 3.47Å; A273-I277 PolarHBondContact O-N 2.95Å |
| 274 | Y | 46.3 | Very low | 47.4 | Very low | 122 Ų | 122 | 93.9 Ų | 93.9 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.7 | -170 | -90.1 | 0 | 0 | 0 | 111.8 | S270 A276 I277 F278 | S270-Y274 PolarHBondContact O-N 3.48Å; Y274-A276 PolarHBondContact O-N 3.11Å; Y274-I277 PolarHBondContact O-N 3.04Å; Y274-F278 HydrophobicContact CE1-CB 4.42Å; Y274-F278 HydrophobicContact CE1-CD2 4.37Å; Y274-F278 WeakPolarHBondContact O-CB 3.21Å; Y274-F278 PolarHBondContact O-N 3.41Å |
| 275 | F | 46.1 | Very low | 48.8 | Very low | 165 Ų | 165 | 92.3 Ų | 92.3 | 72% | 0.724 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 178.8 | -89.6 | -82.2 | 0 | 0 | 0 | 113.4 | S279 | F275-S279 VanDerWaalsContact O-CB 3.28Å; F275-S279 WeakPolarHBondContact O-CB 3.43Å; F275-S279 PolarHBondContact O-N 3.06Å |
| 276 | A | 46 | Very low | 50.1 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A273 Y274 H280 | A273-A276 PolarHBondContact O-N 3.03Å; Y274-A276 PolarHBondContact O-N 3.11Å; A276-H280 WeakPolarHBondContact O-CB 3.11Å; A276-H280 PolarHBondContact O-N 3.15Å |
| 277 | I | 53.9 | Low | 51.3 | Low | 57 Ų | 57 | 91 Ų | 91 | 29% | 0.292 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74 | -41.9 | -178.9 | -67.6 | 167.1 | 0 | 0 | 0 | 110.5 | L266 L269 A273 Y274 S279 H280 V281 | L266-I277 HydrophobicContact CD2-CG2 4Å; L269-I277 HydrophobicContact CD1-CD1 3.35Å; L269-I277 HydrophobicContact CD2-CD1 4.06Å; L269-I277 HydrophobicContact CG-CD1 4.19Å; A273-I277 HydrophobicContact CB-CD1 4.24Å; A273-I277 VanDerWaalsContact O-CB 3.26Å; A273-I277 WeakPolarHBondContact O-CB 3.32Å; A273-I277 WeakPolarHBondContact O-CD1 3.49Å; A273-I277 VanDerWaalsContact O-CG1 3.23Å; A273-I277 WeakPolarHBondContact O-CG1 3.47Å; A273-I277 PolarHBondContact O-N 2.95Å; Y274-I277 PolarHBondContact O-N 3.04Å; I277-S279 PolarHBondContact O-N 3.46Å; I277-H280 PolarHBondContact O-N 2.83Å; I277-V281 HydrophobicContact CG2-CG2 4.07Å; I277-V281 WeakPolarHBondContact O-CB 3.48Å; I277-V281 VanDerWaalsContact O-CG2 3.22Å; I277-V281 WeakPolarHBondContact O-CG2 3.47Å; I277-V281 PolarHBondContact O-N 3.34Å |
| 278 | F | 54.7 | Low | 52.3 | Low | 98 Ų | 98 | 90.5 Ų | 90.5 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 174.3 | -172.6 | -94.5 | 0 | 0 | 0 | 111.1 | Y274 H280 V281 V282 | Y274-F278 HydrophobicContact CE1-CB 4.42Å; Y274-F278 HydrophobicContact CE1-CD2 4.37Å; Y274-F278 WeakPolarHBondContact O-CB 3.21Å; Y274-F278 PolarHBondContact O-N 3.41Å; F278-H280 PolarHBondContact O-N 3.49Å; F278-V281 PolarHBondContact O-N 3.26Å; F278-V282 HydrophobicContact CD1-CG2 3.97Å; F278-V282 HydrophobicContact CE1-CG2 3.67Å; F278-V282 HydrophobicContact CE2-CG2 4.24Å; F278-V282 HydrophobicContact CG-CG2 4.38Å; F278-V282 HydrophobicContact CZ-CG2 3.82Å; F278-V282 WeakPolarHBondContact O-CB 3.48Å; F278-V282 VanDerWaalsContact O-CG2 3.23Å; F278-V282 WeakPolarHBondContact O-CG2 3.32Å; F278-V282 PolarHBondContact O-N 2.91Å |
| 279 | S | 60.7 | Low | 53.3 | Low | 61 Ų | 61 | 85.6 Ų | 85.6 | 43% | 0.427 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | F275 I277 N283 | F275-S279 VanDerWaalsContact O-CB 3.28Å; F275-S279 WeakPolarHBondContact O-CB 3.43Å; F275-S279 PolarHBondContact O-N 3.06Å; I277-S279 PolarHBondContact O-N 3.46Å; S279-N283 VanDerWaalsContact O-CB 3.3Å; S279-N283 WeakPolarHBondContact O-CB 3.22Å; S279-N283 PolarHBondContact O-N 3.05Å; S279-N283 PolarHBondContact O-ND2 3.04Å; S279-N283 VanDerWaalsContact O-ND2 3.14Å |
| 280 | H | 60.5 | Low | 54.3 | Low | 139 Ų | 139 | 84.8 Ų | 84.8 | 64% | 0.644 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 176.9 | -106.8 | -72.3 | 0 | 0 | 0 | 113 | A276 I277 F278 N283 T284 | A276-H280 WeakPolarHBondContact O-CB 3.11Å; A276-H280 PolarHBondContact O-N 3.15Å; I277-H280 PolarHBondContact O-N 2.83Å; F278-H280 PolarHBondContact O-N 3.49Å; H280-N283 PolarHBondContact O-N 3.27Å; H280-T284 WeakPolarHBondContact O-CB 3.44Å; H280-T284 PolarHBondContact O-N 3.24Å; H280-T284 PolarHBondContact O-OG1 3.4Å |
| 281 | V | 62.4 | Low | 55.1 | Low | 47 Ų | 47 | 84.4 Ų | 84.4 | 29% | 0.285 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | -179.9 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L266 I277 F278 N283 T284 L285 | L266-V281 HydrophobicContact CD1-CG2 4.42Å; I277-V281 HydrophobicContact CG2-CG2 4.07Å; I277-V281 WeakPolarHBondContact O-CB 3.48Å; I277-V281 VanDerWaalsContact O-CG2 3.22Å; I277-V281 WeakPolarHBondContact O-CG2 3.47Å; I277-V281 PolarHBondContact O-N 3.34Å; F278-V281 PolarHBondContact O-N 3.26Å; V281-N283 PolarHBondContact O-N 3Å; V281-T284 PolarHBondContact O-N 3.04Å; V281-L285 HydrophobicContact CG1-CD1 3.76Å; V281-L285 HydrophobicContact CG1-CG 4.31Å; V281-L285 WeakPolarHBondContact O-CB 3.46Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 2.76Å |
| 282 | V | 63.7 | Low | 55.1 | Low | 33 Ų | 33 | 83.2 Ų | 83.2 | 20% | 0.2 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | F278 T284 L285 F286 | F278-V282 HydrophobicContact CD1-CG2 3.97Å; F278-V282 HydrophobicContact CE1-CG2 3.67Å; F278-V282 HydrophobicContact CE2-CG2 4.24Å; F278-V282 HydrophobicContact CG-CG2 4.38Å; F278-V282 HydrophobicContact CZ-CG2 3.82Å; F278-V282 WeakPolarHBondContact O-CB 3.48Å; F278-V282 VanDerWaalsContact O-CG2 3.23Å; F278-V282 WeakPolarHBondContact O-CG2 3.32Å; F278-V282 PolarHBondContact O-N 2.91Å; V282-T284 VanDerWaalsContact C-N 3.32Å; V282-T284 PolarHBondContact O-N 3.26Å; V282-L285 PolarHBondContact O-N 3.39Å; V282-F286 WeakPolarHBondContact O-CB 3.32Å; V282-F286 PolarHBondContact O-N 2.83Å |
| 283 | N | 62.1 | Low | 55.3 | Low | 93 Ų | 93 | 80 Ų | 80 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 178 | -73.2 | -23.9 | 0 | 0 | 0 | 112.8 | S279 H280 V281 S287 | S279-N283 VanDerWaalsContact O-CB 3.3Å; S279-N283 WeakPolarHBondContact O-CB 3.22Å; S279-N283 PolarHBondContact O-N 3.05Å; S279-N283 PolarHBondContact O-ND2 3.04Å; S279-N283 VanDerWaalsContact O-ND2 3.14Å; H280-N283 PolarHBondContact O-N 3.27Å; V281-N283 PolarHBondContact O-N 3Å; N283-S287 WeakPolarHBondContact O-CB 3.26Å; N283-S287 PolarHBondContact O-N 3.3Å; N283-S287 PolarHBondContact O-OG 2.92Å |
| 284 | T | 64.1 | Low | 55.7 | Low | 72 Ų | 72 | 84.4 Ų | 84.4 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 178.3 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | H280 V281 V282 S287 L288 | H280-T284 WeakPolarHBondContact O-CB 3.44Å; H280-T284 PolarHBondContact O-N 3.24Å; H280-T284 PolarHBondContact O-OG1 3.4Å; V281-T284 PolarHBondContact O-N 3.04Å; V282-T284 VanDerWaalsContact C-N 3.32Å; V282-T284 PolarHBondContact O-N 3.26Å; T284-S287 PolarHBondContact O-N 2.98Å; T284-L288 HydrophobicContact CG2-CD1 4.25Å; T284-L288 WeakPolarHBondContact O-CG 3.44Å; T284-L288 PolarHBondContact O-N 3.42Å |
| 285 | L | 59.8 | Low | 56 | Low | 81 Ų | 81 | 85.9 Ų | 85.9 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.3 | -73.9 | 171 | 0 | 0 | 0 | 111.5 | V281 V282 S287 L288 V289 | V281-L285 HydrophobicContact CG1-CD1 3.76Å; V281-L285 HydrophobicContact CG1-CG 4.31Å; V281-L285 WeakPolarHBondContact O-CB 3.46Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 2.76Å; V282-L285 PolarHBondContact O-N 3.39Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.4Å; L285-L288 PolarHBondContact O-N 3.42Å; L285-V289 WeakPolarHBondContact O-CB 2.87Å; L285-V289 VanDerWaalsContact O-CG2 3.29Å; L285-V289 WeakPolarHBondContact O-CG2 3.4Å; L285-V289 PolarHBondContact O-N 3.35Å |
| 286 | F | 62.1 | Low | 56.4 | Low | 123 Ų | 123 | 82.3 Ų | 82.3 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.6 | -135.6 | -91.1 | 0 | 0 | 0 | 111.9 | V282 S290 I302 | V282-F286 WeakPolarHBondContact O-CB 3.32Å; V282-F286 PolarHBondContact O-N 2.83Å; F286-S290 WeakPolarHBondContact O-CB 3.38Å; F286-S290 PolarHBondContact O-N 3.36Å; F286-S290 PolarHBondContact O-OG 3.45Å; F286-I302 HydrophobicContact CD2-CD1 4.42Å |
| 287 | S | 57.7 | Low | 56.2 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 176 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | N283 T284 L285 S290 V291 | N283-S287 WeakPolarHBondContact O-CB 3.26Å; N283-S287 PolarHBondContact O-N 3.3Å; N283-S287 PolarHBondContact O-OG 2.92Å; T284-S287 PolarHBondContact O-N 2.98Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.4Å; S287-S290 PolarHBondContact O-N 2.71Å; S287-V291 WeakPolarHBondContact O-CG2 3.38Å; S287-V291 PolarHBondContact O-N 2.8Å |
| 288 | L | 55.8 | Low | 55.6 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.2 | -74.9 | 167.1 | 0 | 0 | 0 | 111.9 | T284 L285 S290 V291 M292 | T284-L288 HydrophobicContact CG2-CD1 4.25Å; T284-L288 WeakPolarHBondContact O-CG 3.44Å; T284-L288 PolarHBondContact O-N 3.42Å; L285-L288 PolarHBondContact O-N 3.42Å; L288-S290 VanDerWaalsContact C-N 3.32Å; L288-S290 PolarHBondContact O-N 2.8Å; L288-V291 PolarHBondContact O-N 3.15Å; L288-M292 VanDerWaalsContact O-CG 3.28Å; L288-M292 WeakPolarHBondContact O-CG 3.33Å; L288-M292 PolarHBondContact O-N 2.66Å |
| 289 | V | 55 | Low | 55 | Low | 37 Ų | 37 | 89.3 Ų | 89.3 | 22% | 0.224 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.8 | -35 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L285 M292 A293 V300 I302 | L285-V289 WeakPolarHBondContact O-CB 2.87Å; L285-V289 VanDerWaalsContact O-CG2 3.29Å; L285-V289 WeakPolarHBondContact O-CG2 3.4Å; L285-V289 PolarHBondContact O-N 3.35Å; V289-M292 PolarHBondContact O-N 2.95Å; V289-A293 VanDerWaalsContact O-CB 3.24Å; V289-A293 WeakPolarHBondContact O-CB 3.27Å; V289-A293 PolarHBondContact O-N 3.45Å; V289-V300 HydrophobicContact CG1-CB 3.77Å; V289-V300 HydrophobicContact CG1-CG1 3.74Å; V289-V300 HydrophobicContact CG1-CG2 4.45Å; V289-I302 HydrophobicContact CB-CD1 3.99Å; V289-I302 HydrophobicContact CG1-CD1 3.96Å; V289-I302 HydrophobicContact CG1-CG1 4.18Å; V289-I302 HydrophobicContact CG2-CD1 3.77Å; V289-I302 HydrophobicContact CG2-CG1 4.22Å |
| 290 | S | 55.5 | Low | 54 | Low | 61 Ų | 61 | 90.1 Ų | 90.1 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 174.6 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | F286 S287 L288 T294 | F286-S290 WeakPolarHBondContact O-CB 3.38Å; F286-S290 PolarHBondContact O-N 3.36Å; F286-S290 PolarHBondContact O-OG 3.45Å; S287-S290 PolarHBondContact O-N 2.71Å; L288-S290 VanDerWaalsContact C-N 3.32Å; L288-S290 PolarHBondContact O-N 2.8Å; S290-T294 PolarHBondContact O-N 3.17Å; S290-T294 PolarHBondContact O-OG1 3.43Å |
| 291 | V | 53.8 | Low | 52.9 | Low | 82 Ų | 82 | 88.1 Ų | 88.1 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 174.2 | 175 | 0 | 0 | 0 | 0 | 110.9 | S287 L288 A293 T294 E295 | S287-V291 WeakPolarHBondContact O-CG2 3.38Å; S287-V291 PolarHBondContact O-N 2.8Å; L288-V291 PolarHBondContact O-N 3.15Å; V291-A293 PolarHBondContact O-N 3.04Å; V291-T294 WeakPolarHBondContact CA-OG1 3.36Å; V291-T294 PolarHBondContact O-N 3.16Å; V291-T294 PolarHBondContact O-OG1 3.46Å; V291-E295 PolarHBondContact O-N 2.98Å |
| 292 | M | 46.8 | Very low | 51.7 | Low | 116 Ų | 116 | 89.3 Ų | 89.3 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -37.3 | 177.5 | -65.7 | -63.5 | -125 | 0 | 0 | 112.6 | L288 V289 T294 E295 V296 | L288-M292 VanDerWaalsContact O-CG 3.28Å; L288-M292 WeakPolarHBondContact O-CG 3.33Å; L288-M292 PolarHBondContact O-N 2.66Å; V289-M292 PolarHBondContact O-N 2.95Å; M292-T294 VanDerWaalsContact C-N 3.3Å; M292-T294 PolarHBondContact O-N 3.31Å; M292-E295 PolarHBondContact O-N 3.04Å; M292-V296 WeakPolarHBondContact O-CG2 3.42Å; M292-V296 PolarHBondContact O-N 3.28Å; M292-V296 VanDerWaalsContact O-N 3.14Å |
| 293 | A | 50.5 | Low | 50.2 | Low | 33 Ų | 33 | 93.1 Ų | 93.1 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.3 | -29.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V289 V291 G297 | V289-A293 VanDerWaalsContact O-CB 3.24Å; V289-A293 WeakPolarHBondContact O-CB 3.27Å; V289-A293 PolarHBondContact O-N 3.45Å; V291-A293 PolarHBondContact O-N 3.04Å; A293-G297 PolarHBondContact O-N 2.89Å |
| 294 | T | 52.4 | Low | 49.1 | Very low | 118 Ų | 118 | 94.9 Ų | 94.9 | 72% | 0.724 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79 | -28.8 | 176.9 | 38.4 | 0 | 0 | 0 | 0 | 113.2 | S290 V291 M292 | S290-T294 PolarHBondContact O-N 3.17Å; S290-T294 PolarHBondContact O-OG1 3.43Å; V291-T294 WeakPolarHBondContact CA-OG1 3.36Å; V291-T294 PolarHBondContact O-N 3.16Å; V291-T294 PolarHBondContact O-OG1 3.46Å; M292-T294 VanDerWaalsContact C-N 3.3Å; M292-T294 PolarHBondContact O-N 3.31Å |
| 295 | E | 52.2 | Low | 47.6 | Very low | 154 Ų | 154 | 94.8 Ų | 94.8 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -83.9 | -29.8 | 176.4 | -75.5 | -173.7 | 162.7 | 0 | 0 | 114.2 | V291 M292 | V291-E295 PolarHBondContact O-N 2.98Å; M292-E295 PolarHBondContact O-N 3.04Å |
| 296 | V | 54.8 | Low | 46.4 | Very low | 90 Ų | 90 | 96.7 Ų | 96.7 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -103.4 | -8.1 | -172.8 | -166.9 | 0 | 0 | 0 | 0 | 113 | M292 Q298 | M292-V296 WeakPolarHBondContact O-CG2 3.42Å; M292-V296 PolarHBondContact O-N 3.28Å; M292-V296 VanDerWaalsContact O-N 3.14Å; V296-Q298 HydrophobicContact CG1-CG 4.3Å; V296-Q298 PolarHBondContact O-N 2.88Å |
| 297 | G | 41 | Very low | 44.9 | Very low | 73 Ų | 73 | 102.6 Ų | 102.6 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | trans | 61.9 | 23.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A293 | A293-G297 PolarHBondContact O-N 2.89Š| ||
| 298 | Q | 42.2 | Very low | 44.2 | Very low | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | trans | -121 | 140.8 | -177.7 | -71.3 | -175.8 | 5.3 | 0 | 0 | 111 | V296 V300 | V296-Q298 HydrophobicContact CG1-CG 4.3Å; V296-Q298 PolarHBondContact O-N 2.88Å; Q298-V300 PolarHBondContact O-N 3Å | ||
| 299 | T | 42 | Very low | 43.6 | Very low | 148 Ų | 148 | 104.1 Ų | 104.1 | 91% | 0.908 | 63% | 0.632 | S | S | * | * | trans | -71.7 | 113.5 | 173.8 | -46.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 300 | V | 39.2 | Very low | 43 | Very low | 78 Ų | 78 | 107.8 Ų | 107.8 | 47% | 0.473 | 66% | 0.655 | S | S | . | * | trans | -93.5 | 119.8 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | V289 Q298 | V289-V300 HydrophobicContact CG1-CB 3.77Å; V289-V300 HydrophobicContact CG1-CG1 3.74Å; V289-V300 HydrophobicContact CG1-CG2 4.45Å; Q298-V300 PolarHBondContact O-N 3Å | ||
| 301 | A | 38.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 110.6 Ų | 110.6 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | -91 | 123.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 302 | I | 37.5 | Very low | 41.5 | Very low | 72 Ų | 72 | 112.4 Ų | 112.4 | 37% | 0.369 | 68% | 0.679 | S | S | . | * | trans | -96.5 | 114.2 | 171.6 | -52.3 | 174.4 | 0 | 0 | 0 | 107.1 | F286 V289 F304 | F286-I302 HydrophobicContact CD2-CD1 4.42Å; V289-I302 HydrophobicContact CB-CD1 3.99Å; V289-I302 HydrophobicContact CG1-CD1 3.96Å; V289-I302 HydrophobicContact CG1-CG1 4.18Å; V289-I302 HydrophobicContact CG2-CD1 3.77Å; V289-I302 HydrophobicContact CG2-CG1 4.22Å; I302-F304 HydrophobicContact CG2-CD2 4.38Å; I302-F304 HydrophobicContact CG2-CE1 4.17Å; I302-F304 HydrophobicContact CG2-CE2 3.87Å; I302-F304 HydrophobicContact CG2-CZ 3.76Å | ||
| 303 | S | 32.4 | Very low | 41.2 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | -98.7 | 120.4 | 169.9 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | G305 | S303-G305 PolarHBondContact O-N 3.35Š| ||
| 304 | F | 38.7 | Very low | 40.5 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 57% | 0.57 | 72% | 0.716 | S | S | * | * | trans | -87.8 | 104.5 | 167.3 | -61.5 | -81.3 | 0 | 0 | 0 | 107.3 | I302 | I302-F304 HydrophobicContact CG2-CD2 4.38Å; I302-F304 HydrophobicContact CG2-CE1 4.17Å; I302-F304 HydrophobicContact CG2-CE2 3.87Å; I302-F304 HydrophobicContact CG2-CZ 3.76Å | ||
| 305 | G | 32.3 | Very low | 39.6 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -84.2 | 130 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S303 | S303-G305 PolarHBondContact O-N 3.35Š| ||
| 306 | S | 33.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -82.2 | 114.5 | 153.2 | 55.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 307 | E | 30.6 | Very low | 37.1 | Very low | 248 Ų | 248 | 117 Ų | 117 | 100% | 1.159 | 73% | 0.73 | S | S | * | * | trans | -76.8 | 0 | 156 | -88.3 | -175.6 | 139.1 | 0 | 0 | 110 |
Retrieved 307 of 307 residues in 93.1 ms
(Link to these results)