| 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 | 40.3 | Very low | 74.1 | Confident | 165 Ų | 165 | 100.2 Ų | 100.2 | 81% | 0.813 | 53% | 0.526 | S | S | * | . | 0 | 112 | 0 | -62.6 | 177.8 | -171.9 | 0 | 0 | 106.5 | Q131 | M1-Q131 HydrophobicContact CE-CG 4.36Å; M1-Q131 HydrophobicContact SD-CG 4.2Å | |||
| 2 | E | 40.1 | Very low | 75.7 | Confident | 189 Ų | 189 | 96.1 Ų | 96.1 | 88% | 0.883 | 51% | 0.505 | S | S | * | . | trans | -68.9 | 144.3 | 166.6 | -72.6 | 160.8 | 116.2 | 0 | 0 | 108.8 | L4 | E2-L4 PolarHBondContact O-N 3.44Å; E2-L4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 49.4 | Very low | 77.1 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 80% | 0.797 | 48% | 0.482 | S | S | * | . | trans | -74.2 | 104.8 | 171.6 | 53.2 | 0 | 0 | 0 | 0 | 108.2 | E5 | S3-E5 PolarHBondContact O-N 2.68Š| ||
| 4 | L | 61 | Low | 78.1 | Confident | 106 Ų | 106 | 88.6 Ų | 88.6 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -47.1 | 127.3 | 167.8 | -68.7 | 173.1 | 0 | 0 | 0 | 108.8 | E2 L53 L127 | E2-L4 PolarHBondContact O-N 3.44Å; E2-L4 VanDerWaalsContact O-N 3.16Å; L4-L53 HydrophobicContact CD1-CD1 4.14Å; L4-L127 HydrophobicContact CD1-CD1 3.75Å |
| 5 | E | 73 | Confident | 78.8 | Confident | 170 Ų | 170 | 84.1 Ų | 84.1 | 79% | 0.794 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 131.1 | -174.9 | -166.6 | 176 | 178.8 | 0 | 0 | 109.4 | S3 I7 | S3-E5 PolarHBondContact O-N 2.68Å; E5-I7 PolarHBondContact O-N 3.24Å |
| 6 | P | 82.1 | Confident | 79.6 | Confident | 54 Ų | 54 | 82 Ų | 82 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 130.4 | -177.2 | 28.8 | -36.3 | 0 | 0 | 0 | 109.5 | L8 L50 I51 | P6-L8 WeakPolarHBondContact O-CD1 3.26Å; P6-L50 HydrophobicContact CB-CD1 3.76Å; P6-L50 HydrophobicContact CB-CD2 4.49Å; P6-L50 HydrophobicContact CB-CG 4.01Å; P6-L50 HydrophobicContact CG-CD1 4.09Å; P6-I51 CarbonylContact C-O 3.6Å; P6-I51 WeakPolarHBondContact CA-O 2.96Å |
| 7 | I | 91.5 | Very high | 80.3 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.1 | -174.6 | -60.8 | 163 | 0 | 0 | 0 | 109 | E5 R9 L50 I51 I120 | E5-I7 PolarHBondContact O-N 3.24Å; I7-R9 HydrophobicContact CG2-CG 4.31Å; I7-L50 WeakPolarHBondContact O-CA 3.43Å; I7-I51 PolarHBondContact N-O 3.26Å; I7-I51 PolarHBondContact O-N 2.94Å; I7-I120 HydrophobicContact CB-CG2 4.45Å; I7-I120 HydrophobicContact CD1-CG1 4.38Å; I7-I120 HydrophobicContact CD1-CG2 3.68Å; I7-I120 HydrophobicContact CG2-CD1 3.88Å |
| 8 | L | 92.8 | Very high | 80.8 | Confident | 68 Ų | 68 | 79 Ų | 79 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.3 | 177.6 | -75.7 | 75.8 | 0 | 0 | 0 | 110.1 | P6 I48 L49 L50 K63 | P6-L8 WeakPolarHBondContact O-CD1 3.26Å; L8-I48 HydrophobicContact CB-CG2 4.02Å; L8-I48 HydrophobicContact CD2-CG2 4.11Å; L8-I48 HydrophobicContact CG-CG2 4.04Å; L8-L49 CarbonylContact C-O 3.5Å; L8-L49 WeakPolarHBondContact CA-O 3.48Å; L8-L50 HydrophobicContact CD1-CD1 3.37Å; L8-L50 HydrophobicContact CG-CD1 3.67Å; L8-K63 HydrophobicContact CD2-CD 3.81Å; L8-K63 VanDerWaalsContact CD2-CE 3.48Å; L8-K63 VanDerWaalsContact CD2-NZ 3.3Å |
| 9 | R | 94.6 | Very high | 81.1 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 32% | 0.321 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.1 | 172.9 | -67 | -68.6 | 159.5 | 172 | -0.7 | 111.1 | I7 L49 E116 L117 I120 | I7-R9 HydrophobicContact CG2-CG 4.31Å; R9-L49 PolarHBondContact N-O 3.4Å; R9-L49 PolarHBondContact O-N 2.81Å; R9-E116 IonicContact CZ-OE1 2.92Å; R9-E116 IonicContact CZ-OE2 3.02Å; R9-E116 IonicContact NE-OE1 3.74Å; R9-E116 IonicContact NE-OE2 3.37Å; R9-E116 PolarHBondContact NE-OE2 3.25Å; R9-E116 IonicContact NH1-OE1 2.96Å; R9-E116 PolarHBondContact NH1-OE1 3.22Å; R9-E116 IonicContact NH1-OE2 2.65Å; R9-E116 PolarHBondContact NH1-OE2 3.07Å; R9-E116 IonicContact NH2-OE1 2.69Å; R9-E116 PolarHBondContact NH2-OE1 3.07Å; R9-E116 IonicContact NH2-OE2 3.67Å; R9-L117 HydrophobicContact CB-CD2 3.73Å; R9-L117 HydrophobicContact CB-CG 4.47Å; R9-L117 HydrophobicContact CG-CD2 3.94Å; R9-I120 HydrophobicContact CG-CD1 4.19Å |
| 10 | P | 95 | Very high | 81.2 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.3 | 173 | 31.9 | -33.8 | 0 | 0 | 0 | 110.4 | I48 | P10-I48 HydrophobicContact CB-CD1 4.11Å |
| 11 | A | 94.7 | Very high | 80.8 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 165.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | I47 L49 F106 V107 | A11-I47 HydrophobicContact CB-CD1 3.84Å; A11-I47 PolarHBondContact N-O 3.33Å; A11-I47 WeakPolarHBondContact O-CD1 3.47Å; A11-I47 VanDerWaalsContact O-CG1 3.26Å; A11-I47 WeakPolarHBondContact O-CG1 3.42Å; A11-I47 PolarHBondContact O-N 3.11Å; A11-L49 HydrophobicContact CB-CD1 4.14Å; A11-L49 HydrophobicContact CB-CG 4.36Å; A11-F106 HydrophobicContact CB-CB 4.18Å; A11-V107 WeakPolarHBondContact CA-O 3.47Å |
| 12 | D | 93.7 | Very high | 82.4 | Confident | 51 Ų | 51 | 72 Ų | 72 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 106.6 | -174.4 | -119.3 | 17.4 | 0 | 0 | 0 | 109.9 | I14 S44 P46 F106 V107 | D12-I14 PolarHBondContact O-N 2.87Å; D12-S44 VanDerWaalsContact CG-CB 3.47Å; D12-S44 VanDerWaalsContact CG-OG 3.27Å; D12-S44 WeakPolarHBondContact OD2-CB 3.4Å; D12-S44 PolarHBondContact OD2-OG 3.01Å; D12-P46 WeakPolarHBondContact OD1-CA 3.27Å; D12-F106 CarbonylContact O-C 3.6Å; D12-F106 VanDerWaalsContact O-CA 3.26Å; D12-F106 WeakPolarHBondContact O-CA 3.46Å; D12-V107 HydrophobicContact CB-CB 4.02Å; D12-V107 PolarHBondContact N-O 2.98Å; D12-V107 PolarHBondContact O-N 3.49Å |
| 13 | Y | 94.2 | Very high | 84.1 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 114.3 | -173.9 | 174 | -118.3 | 0 | 0 | 0 | 111.8 | G15 S16 S44 K45 M68 A105 F106 | Y13-G15 WeakPolarHBondContact CE2-O 3.49Å; Y13-G15 VanDerWaalsContact CZ-C 3.46Å; Y13-G15 VanDerWaalsContact CZ-CA 3.46Å; Y13-G15 VanDerWaalsContact OH-C 3.3Å; Y13-S16 PolarHBondContact OH-N 3.05Å; Y13-S16 PolarHBondContact OH-OG 3.39Å; Y13-S44 CarbonylContact O-C 3.59Å; Y13-S44 WeakPolarHBondContact O-CA 3.42Å; Y13-K45 PolarHBondContact N-O 3.2Å; Y13-K45 PolarHBondContact O-N 3.05Å; Y13-M68 HydrophobicContact CD2-CE 4.24Å; Y13-M68 HydrophobicContact CE2-CE 3.62Å; Y13-A105 WeakPolarHBondContact CD2-O 3.4Å; Y13-F106 AromaticContact CD2-CD1 3.86Å; Y13-F106 HydrophobicContact CD2-CD1 3.86Å; Y13-F106 AromaticContact CD2-CE1 3.48Å; Y13-F106 HydrophobicContact CD2-CE1 3.48Å; Y13-F106 VanDerWaalsContact CD2-CE1 3.48Å; Y13-F106 HydrophobicContact CD2-CZ 4.03Å; Y13-F106 HydrophobicContact CE2-CE1 4.34Å; Y13-F106 HydrophobicContact CE2-CZ 4.5Å; Y13-F106 HydrophobicContact CG-CD1 4.39Å; Y13-F106 HydrophobicContact CG-CE1 4.15Å |
| 14 | I | 91.4 | Very high | 85.2 | Confident | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -44 | 179.1 | -44.5 | 172.3 | 0 | 0 | 0 | 110.1 | D12 Y41 Q86 A105 V107 | D12-I14 PolarHBondContact O-N 2.87Å; I14-Y41 HydrophobicContact CG2-CD2 4.07Å; I14-Y41 HydrophobicContact CG2-CG 4.35Å; I14-Q86 HydrophobicContact CD1-CG 4.46Å; I14-A105 HydrophobicContact CD1-CB 4.22Å; I14-A105 PolarHBondContact N-O 2.84Å; I14-V107 HydrophobicContact CD1-CG2 3.66Å; I14-V107 HydrophobicContact CG1-CG2 3.75Å |
| 15 | G | 88.6 | Confident | 86 | Confident | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -173.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y13 A105 | Y13-G15 WeakPolarHBondContact CE2-O 3.49Å; Y13-G15 VanDerWaalsContact CZ-C 3.46Å; Y13-G15 VanDerWaalsContact CZ-CA 3.46Å; Y13-G15 VanDerWaalsContact OH-C 3.3Å; G15-A105 PolarHBondContact O-N 3.42Å |
| 16 | S | 91.2 | Very high | 86.4 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.4 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | Y13 C103 H104 | Y13-S16 PolarHBondContact OH-N 3.05Å; Y13-S16 PolarHBondContact OH-OG 3.39Å; S16-C103 CarbonylContact C-O 3.56Å; S16-C103 WeakPolarHBondContact CA-O 3.27Å; S16-H104 PolarHBondContact OG-ND1 2.88Å |
| 17 | F | 91.1 | Very high | 86.5 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.9 | 174.1 | 54.8 | -100.6 | 0 | 0 | 0 | 111.8 | V19 V31 K34 L35 Y102 C103 A105 | F17-V19 HydrophobicContact CD2-CG2 3.72Å; F17-V19 HydrophobicContact CE2-CG2 3.66Å; F17-V31 HydrophobicContact CE2-CG2 4.24Å; F17-K34 HydrophobicContact CB-CD 4.29Å; F17-K34 HydrophobicContact CD1-CB 4.29Å; F17-K34 HydrophobicContact CD1-CD 4.5Å; F17-K34 HydrophobicContact CD2-CB 4.08Å; F17-K34 HydrophobicContact CD2-CD 3.25Å; F17-K34 HydrophobicContact CD2-CG 4.3Å; F17-K34 HydrophobicContact CE1-CB 3.87Å; F17-K34 HydrophobicContact CE2-CB 3.6Å; F17-K34 HydrophobicContact CE2-CD 3.5Å; F17-K34 VanDerWaalsContact CE2-CD 3.5Å; F17-K34 HydrophobicContact CE2-CG 4.17Å; F17-K34 HydrophobicContact CG-CB 4.38Å; F17-K34 HydrophobicContact CG-CD 3.79Å; F17-K34 HydrophobicContact CZ-CB 3.49Å; F17-K34 VanDerWaalsContact CZ-CB 3.49Å; F17-K34 HydrophobicContact CZ-CD 4.25Å; F17-L35 HydrophobicContact CE1-CD2 4.44Å; F17-L35 HydrophobicContact CZ-CG 4.48Å; F17-Y102 WeakPolarHBondContact O-CA 3.34Å; F17-C103 HydrophobicContact CD2-CB 3.75Å; F17-C103 HydrophobicContact CE1-CB 4.15Å; F17-C103 HydrophobicContact CE2-CB 3.32Å; F17-C103 HydrophobicContact CG-CB 4.36Å; F17-C103 HydrophobicContact CZ-CB 3.55Å; F17-C103 PolarHBondContact N-O 3.16Å; F17-C103 PolarHBondContact O-N 3.1Å; F17-A105 HydrophobicContact CE1-CB 4.41Å |
| 18 | L | 89 | Confident | 86.2 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 135.3 | 172.8 | 179.3 | 64 | 0 | 0 | 0 | 110.2 | K34 V100 Y102 | L18-K34 PolarHBondContact O-NZ 3.31Å; L18-V100 HydrophobicContact CD1-CG1 3.87Å; L18-Y102 HydrophobicContact CB-CD1 4.39Å; L18-Y102 HydrophobicContact CB-CE1 4.14Å; L18-Y102 HydrophobicContact CD1-CE1 4.39Å |
| 19 | V | 87.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.5 | 169.7 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | F17 R27 I30 V31 L90 Q101 C103 | F17-V19 HydrophobicContact CD2-CG2 3.72Å; F17-V19 HydrophobicContact CE2-CG2 3.66Å; V19-R27 HydrophobicContact CG1-CB 3.83Å; V19-R27 HydrophobicContact CG1-CG 3.8Å; V19-I30 HydrophobicContact CG1-CB 4.3Å; V19-I30 HydrophobicContact CG1-CG2 4.01Å; V19-I30 HydrophobicContact CG2-CG2 4.31Å; V19-V31 HydrophobicContact CG1-CG2 4.48Å; V19-V31 HydrophobicContact CG2-CG2 3.83Å; V19-L90 HydrophobicContact CB-CD1 3.81Å; V19-L90 HydrophobicContact CG1-CD1 4.33Å; V19-L90 HydrophobicContact CG2-CD1 3.77Å; V19-Q101 PolarHBondContact N-O 2.81Å; V19-Q101 PolarHBondContact O-N 3.44Å; V19-Q101 VanDerWaalsContact O-O 3.11Å; V19-C103 HydrophobicContact CG2-CB 3.85Å |
| 20 | S | 82 | Confident | 85.5 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | trans | -145.2 | 104.7 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 21 | G | 72.7 | Confident | 85.3 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | trans | -149.4 | 154.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | E26 R27 | G21-E26 VanDerWaalsContact C-OE2 3.32Å; G21-E26 WeakPolarHBondContact CA-OE2 3.29Å; G21-R27 PolarHBondContact O-NH1 3.07Å | ||
| 22 | K | 74.4 | Confident | 85.1 | Confident | 178 Ų | 178 | 57.3 Ų | 57.3 | 77% | 0.774 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -75.1 | -53.5 | -172.8 | -61.6 | 166.1 | -172.7 | 164.5 | 0 | 110.4 | E26 R27 | K22-E26 PolarHBondContact N-OE2 3.34Å; K22-R27 VanDerWaalsContact C-NH1 3.33Å; K22-R27 PolarHBondContact O-NH1 2.93Å |
| 23 | D | 75.2 | Confident | 85 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -102.3 | -179.5 | 178.6 | 66.6 | 75.3 | 0 | 0 | 0 | 112.7 | H25 E26 R27 | D23-H25 WeakPolarHBondContact OD1-CA 3.45Å; D23-H25 WeakPolarHBondContact OD1-CB 3.16Å; D23-H25 PolarHBondContact OD1-N 3.15Å; D23-E26 PolarHBondContact OD1-N 3.48Å; D23-R27 WeakPolarHBondContact O-CG 3.32Å; D23-R27 PolarHBondContact O-N 2.88Å; D23-R27 PolarHBondContact O-NE 2.78Å; D23-R27 PolarHBondContact O-NH1 3.35Å; D23-R27 PolarHBondContact O-NH2 3.05Å |
| 24 | H | 72.5 | Confident | 84.8 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -81.1 | -27.8 | -175.6 | -64.5 | -93.3 | 0 | 0 | 0 | 113.2 | R27 A28 L709 | H24-R27 PolarHBondContact CD2-NH2 3.42Å; H24-R27 PolarHBondContact CE1-NH2 3.48Å; H24-R27 VanDerWaalsContact CG-NH2 3.29Å; H24-R27 PolarHBondContact ND1-NH2 3.02Å; H24-R27 PolarHBondContact NE2-NH2 2.77Å; H24-A28 VanDerWaalsContact O-CB 3.29Å; H24-A28 WeakPolarHBondContact O-CB 3.4Å; H24-A28 PolarHBondContact O-N 2.72Å; H24-L709 HydrophobicContact CB-CD2 4.39Å; H24-L709 WeakPolarHBondContact CE1-CD1 3.44Å; H24-L709 WeakPolarHBondContact ND1-CD2 3.35Å |
| 25 | H | 78.8 | Confident | 84.8 | Confident | 148 Ų | 148 | 60.2 Ų | 60.2 | 69% | 0.685 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73.7 | -43.4 | 178.1 | -172.7 | -42.2 | 0 | 0 | 0 | 110.7 | D23 R27 A28 E29 | D23-H25 WeakPolarHBondContact OD1-CA 3.45Å; D23-H25 WeakPolarHBondContact OD1-CB 3.16Å; D23-H25 PolarHBondContact OD1-N 3.15Å; H25-R27 VanDerWaalsContact C-N 3.31Å; H25-R27 PolarHBondContact O-N 3.26Å; H25-A28 PolarHBondContact O-N 2.97Å; H25-E29 WeakPolarHBondContact O-CB 3.43Å; H25-E29 PolarHBondContact O-N 2.9Å |
| 26 | E | 82 | Confident | 85 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 173.5 | -174.7 | 178 | -145.9 | 0 | 0 | 110.4 | G21 K22 D23 I30 | G21-E26 VanDerWaalsContact C-OE2 3.32Å; G21-E26 WeakPolarHBondContact CA-OE2 3.29Å; K22-E26 PolarHBondContact N-OE2 3.34Å; D23-E26 PolarHBondContact OD1-N 3.48Å; E26-I30 HydrophobicContact CG-CD1 3.99Å; E26-I30 WeakPolarHBondContact O-CB 3.25Å; E26-I30 WeakPolarHBondContact O-CD1 3.31Å; E26-I30 WeakPolarHBondContact O-CG1 3.2Å; E26-I30 PolarHBondContact O-N 3.1Å |
| 27 | R | 83.1 | Confident | 84.9 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.7 | -68.8 | -170.7 | -64.3 | -94 | -4.8 | 113.3 | V19 G21 K22 D23 H24 H25 I30 V31 L90 | V19-R27 HydrophobicContact CG1-CB 3.83Å; V19-R27 HydrophobicContact CG1-CG 3.8Å; G21-R27 PolarHBondContact O-NH1 3.07Å; K22-R27 VanDerWaalsContact C-NH1 3.33Å; K22-R27 PolarHBondContact O-NH1 2.93Å; D23-R27 WeakPolarHBondContact O-CG 3.32Å; D23-R27 PolarHBondContact O-N 2.88Å; D23-R27 PolarHBondContact O-NE 2.78Å; D23-R27 PolarHBondContact O-NH1 3.35Å; D23-R27 PolarHBondContact O-NH2 3.05Å; H24-R27 PolarHBondContact CD2-NH2 3.42Å; H24-R27 PolarHBondContact CE1-NH2 3.48Å; H24-R27 VanDerWaalsContact CG-NH2 3.29Å; H24-R27 PolarHBondContact ND1-NH2 3.02Å; H24-R27 PolarHBondContact NE2-NH2 2.77Å; H25-R27 VanDerWaalsContact C-N 3.31Å; H25-R27 PolarHBondContact O-N 3.26Å; R27-I30 PolarHBondContact O-N 3.25Å; R27-V31 WeakPolarHBondContact O-CG2 3.19Å; R27-V31 PolarHBondContact O-N 3.24Å; R27-L90 HydrophobicContact CB-CD2 4.43Å |
| 28 | A | 84.8 | Confident | 84.6 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H24 H25 V31 R32 | H24-A28 VanDerWaalsContact O-CB 3.29Å; H24-A28 WeakPolarHBondContact O-CB 3.4Å; H24-A28 PolarHBondContact O-N 2.72Å; H25-A28 PolarHBondContact O-N 2.97Å; A28-V31 PolarHBondContact O-N 3.32Å; A28-R32 PolarHBondContact O-N 3.33Å |
| 29 | E | 86 | Confident | 84.6 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 177.1 | 179.4 | 56.1 | -162 | 0 | 0 | 112 | H25 V31 R32 Q33 | H25-E29 WeakPolarHBondContact O-CB 3.43Å; H25-E29 PolarHBondContact O-N 2.9Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 2.67Å; E29-R32 PolarHBondContact O-N 2.74Å; E29-R32 IonicContact OE1-CZ 3.98Å; E29-R32 IonicContact OE1-NE 3.64Å; E29-R32 PolarHBondContact OE1-NE 2.86Å; E29-R32 IonicContact OE1-NH2 2.73Å; E29-R32 PolarHBondContact OE1-NH2 2.65Å; E29-R32 IonicContact OE2-CZ 2.9Å; E29-R32 IonicContact OE2-NE 2.72Å; E29-R32 PolarHBondContact OE2-NE 3.04Å; E29-R32 IonicContact OE2-NH2 2.78Å; E29-Q33 HydrophobicContact CG-CG 4.49Å; E29-Q33 WeakPolarHBondContact O-CG 3.48Å; E29-Q33 PolarHBondContact O-N 3.02Å; E29-Q33 WeakPolarHBondContact OE1-CG 3.37Å; E29-Q33 PolarHBondContact OE1-NE2 3Å |
| 30 | I | 88.1 | Confident | 84.3 | Confident | 37 Ų | 37 | 73 Ų | 73 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 171.1 | -69.9 | 164.3 | 0 | 0 | 0 | 111.2 | V19 E26 R27 K34 | V19-I30 HydrophobicContact CG1-CB 4.3Å; V19-I30 HydrophobicContact CG1-CG2 4.01Å; V19-I30 HydrophobicContact CG2-CG2 4.31Å; E26-I30 HydrophobicContact CG-CD1 3.99Å; E26-I30 WeakPolarHBondContact O-CB 3.25Å; E26-I30 WeakPolarHBondContact O-CD1 3.31Å; E26-I30 WeakPolarHBondContact O-CG1 3.2Å; E26-I30 PolarHBondContact O-N 3.1Å; R27-I30 PolarHBondContact O-N 3.25Å; I30-K34 HydrophobicContact CG2-CD 4.11Å; I30-K34 WeakPolarHBondContact O-CB 3.27Å; I30-K34 VanDerWaalsContact O-CG 3.31Å; I30-K34 WeakPolarHBondContact O-CG 3.42Å; I30-K34 PolarHBondContact O-N 2.98Å; I30-K34 VanDerWaalsContact O-N 3.15Å |
| 31 | V | 90.7 | Very high | 84 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 174.6 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | F17 V19 R27 A28 E29 Q33 K34 L35 Y77 T79 C103 | F17-V31 HydrophobicContact CE2-CG2 4.24Å; V19-V31 HydrophobicContact CG1-CG2 4.48Å; V19-V31 HydrophobicContact CG2-CG2 3.83Å; R27-V31 WeakPolarHBondContact O-CG2 3.19Å; R27-V31 PolarHBondContact O-N 3.24Å; A28-V31 PolarHBondContact O-N 3.32Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 2.67Å; V31-Q33 PolarHBondContact O-N 3.37Å; V31-K34 PolarHBondContact O-N 3.44Å; V31-L35 HydrophobicContact CG1-CD1 3.68Å; V31-L35 HydrophobicContact CG1-CG 4.19Å; V31-L35 WeakPolarHBondContact O-CB 3.42Å; V31-L35 WeakPolarHBondContact O-CG 3.26Å; V31-L35 PolarHBondContact O-N 3.43Å; V31-Y77 HydrophobicContact CG1-CE1 4.29Å; V31-T79 HydrophobicContact CG1-CG2 4.14Å; V31-C103 HydrophobicContact CG2-CB 4.07Å |
| 32 | R | 90.3 | Very high | 84.1 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 43% | 0.434 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.6 | -50.8 | 179.5 | -165.9 | -161.5 | 66.2 | 67.7 | 6 | 111.9 | A28 E29 K34 L35 E36 | A28-R32 PolarHBondContact O-N 3.33Å; E29-R32 PolarHBondContact O-N 2.74Å; E29-R32 IonicContact OE1-CZ 3.98Å; E29-R32 IonicContact OE1-NE 3.64Å; E29-R32 PolarHBondContact OE1-NE 2.86Å; E29-R32 IonicContact OE1-NH2 2.73Å; E29-R32 PolarHBondContact OE1-NH2 2.65Å; E29-R32 IonicContact OE2-CZ 2.9Å; E29-R32 IonicContact OE2-NE 2.72Å; E29-R32 PolarHBondContact OE2-NE 3.04Å; E29-R32 IonicContact OE2-NH2 2.78Å; R32-K34 VanDerWaalsContact C-N 3.34Å; R32-K34 PolarHBondContact O-N 3.34Å; R32-L35 PolarHBondContact O-N 3.41Å; R32-E36 IonicContact CZ-OE2 3.24Å; R32-E36 IonicContact NH1-OE2 2.67Å; R32-E36 PolarHBondContact NH1-OE2 3.1Å; R32-E36 IonicContact NH2-OE2 3.76Å; R32-E36 WeakPolarHBondContact O-CB 3.25Å; R32-E36 PolarHBondContact O-N 3.43Å |
| 33 | Q | 91.1 | Very high | 84.4 | Confident | 102 Ų | 102 | 82.1 Ų | 82.1 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 178.8 | -69.6 | 177 | 11 | 0 | 0 | 112.6 | E29 V31 A37 | E29-Q33 HydrophobicContact CG-CG 4.49Å; E29-Q33 WeakPolarHBondContact O-CG 3.48Å; E29-Q33 PolarHBondContact O-N 3.02Å; E29-Q33 WeakPolarHBondContact OE1-CG 3.37Å; E29-Q33 PolarHBondContact OE1-NE2 3Å; V31-Q33 PolarHBondContact O-N 3.37Å; Q33-A37 WeakPolarHBondContact O-CB 3.41Å; Q33-A37 PolarHBondContact O-N 3.48Å |
| 34 | K | 90.6 | Very high | 85.1 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -74.7 | -33.2 | 179.2 | -73.6 | -177.1 | 179.8 | -170.1 | 0 | 112.9 | F17 L18 I30 V31 R32 A38 | F17-K34 HydrophobicContact CB-CD 4.29Å; F17-K34 HydrophobicContact CD1-CB 4.29Å; F17-K34 HydrophobicContact CD1-CD 4.5Å; F17-K34 HydrophobicContact CD2-CB 4.08Å; F17-K34 HydrophobicContact CD2-CD 3.25Å; F17-K34 HydrophobicContact CD2-CG 4.3Å; F17-K34 HydrophobicContact CE1-CB 3.87Å; F17-K34 HydrophobicContact CE2-CB 3.6Å; F17-K34 HydrophobicContact CE2-CD 3.5Å; F17-K34 VanDerWaalsContact CE2-CD 3.5Å; F17-K34 HydrophobicContact CE2-CG 4.17Å; F17-K34 HydrophobicContact CG-CB 4.38Å; F17-K34 HydrophobicContact CG-CD 3.79Å; F17-K34 HydrophobicContact CZ-CB 3.49Å; F17-K34 VanDerWaalsContact CZ-CB 3.49Å; F17-K34 HydrophobicContact CZ-CD 4.25Å; L18-K34 PolarHBondContact O-NZ 3.31Å; I30-K34 HydrophobicContact CG2-CD 4.11Å; I30-K34 WeakPolarHBondContact O-CB 3.27Å; I30-K34 VanDerWaalsContact O-CG 3.31Å; I30-K34 WeakPolarHBondContact O-CG 3.42Å; I30-K34 PolarHBondContact O-N 2.98Å; I30-K34 VanDerWaalsContact O-N 3.15Å; V31-K34 PolarHBondContact O-N 3.44Å; R32-K34 VanDerWaalsContact C-N 3.34Å; R32-K34 PolarHBondContact O-N 3.34Å; K34-A38 WeakPolarHBondContact O-CB 3.31Å; K34-A38 PolarHBondContact O-N 3.2Å |
| 35 | L | 90.8 | Very high | 85.8 | Confident | 11 Ų | 11 | 83.6 Ų | 83.6 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 171.3 | -73.8 | 176.6 | 0 | 0 | 0 | 111.5 | F17 V31 R32 A37 A38 R39 T79 Q86 A88 A105 | F17-L35 HydrophobicContact CE1-CD2 4.44Å; F17-L35 HydrophobicContact CZ-CG 4.48Å; V31-L35 HydrophobicContact CG1-CD1 3.68Å; V31-L35 HydrophobicContact CG1-CG 4.19Å; V31-L35 WeakPolarHBondContact O-CB 3.42Å; V31-L35 WeakPolarHBondContact O-CG 3.26Å; V31-L35 PolarHBondContact O-N 3.43Å; R32-L35 PolarHBondContact O-N 3.41Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 2.89Å; L35-A38 CarbonylContact O-C 3.47Å; L35-A38 WeakPolarHBondContact O-CA 3.4Å; L35-A38 WeakPolarHBondContact O-CB 3.31Å; L35-A38 PolarHBondContact O-N 3.15Å; L35-R39 PolarHBondContact O-N 2.95Å; L35-R39 VanDerWaalsContact O-N 3.11Å; L35-T79 HydrophobicContact CD1-CG2 3.99Å; L35-Q86 PolarHBondContact O-NE2 3.16Å; L35-Q86 PolarHBondContact O-OE1 3.28Å; L35-A88 HydrophobicContact CD1-CB 3.99Å; L35-A88 HydrophobicContact CD2-CB 4Å; L35-A105 HydrophobicContact CD2-CB 3.73Å |
| 36 | E | 92.8 | Very high | 86.5 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 174.2 | -179.9 | 170.6 | -159 | 0 | 0 | 112.1 | R32 A38 R39 | R32-E36 IonicContact CZ-OE2 3.24Å; R32-E36 IonicContact NH1-OE2 2.67Å; R32-E36 PolarHBondContact NH1-OE2 3.1Å; R32-E36 IonicContact NH2-OE2 3.76Å; R32-E36 WeakPolarHBondContact O-CB 3.25Å; R32-E36 PolarHBondContact O-N 3.43Å; E36-A38 VanDerWaalsContact C-N 3.33Å; E36-A38 PolarHBondContact O-N 2.92Å; E36-R39 WeakPolarHBondContact O-CB 3.37Å; E36-R39 WeakPolarHBondContact O-CG 3.34Å; E36-R39 PolarHBondContact O-N 3.02Å |
| 37 | A | 89 | Confident | 87.1 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q33 L35 R39 | Q33-A37 WeakPolarHBondContact O-CB 3.41Å; Q33-A37 PolarHBondContact O-N 3.48Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 2.89Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 3.05Å |
| 38 | A | 85.4 | Confident | 87.7 | Confident | 9 Ų | 9 | 76.9 Ų | 76.9 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.7 | -14.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K34 L35 E36 K40 Y41 | K34-A38 WeakPolarHBondContact O-CB 3.31Å; K34-A38 PolarHBondContact O-N 3.2Å; L35-A38 CarbonylContact O-C 3.47Å; L35-A38 WeakPolarHBondContact O-CA 3.4Å; L35-A38 WeakPolarHBondContact O-CB 3.31Å; L35-A38 PolarHBondContact O-N 3.15Å; E36-A38 VanDerWaalsContact C-N 3.33Å; E36-A38 PolarHBondContact O-N 2.92Å; A38-K40 PolarHBondContact O-N 3.28Å; A38-Y41 HydrophobicContact CB-CD2 3.76Å; A38-Y41 HydrophobicContact CB-CE2 4.04Å; A38-Y41 PolarHBondContact O-N 3.41Å |
| 39 | R | 88.2 | Confident | 88.1 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -16.2 | 172.8 | -65.5 | 171 | 179.1 | 178.5 | -7 | 113.9 | L35 E36 A37 D81 N84 | L35-R39 PolarHBondContact O-N 2.95Å; L35-R39 VanDerWaalsContact O-N 3.11Å; E36-R39 WeakPolarHBondContact O-CB 3.37Å; E36-R39 WeakPolarHBondContact O-CG 3.34Å; E36-R39 PolarHBondContact O-N 3.02Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 3.05Å; R39-D81 IonicContact CZ-OD2 3.72Å; R39-D81 IonicContact NE-OD2 2.71Å; R39-D81 PolarHBondContact NE-OD2 3.28Å; R39-D81 IonicContact NH2-OD1 3.93Å; R39-D81 IonicContact NH2-OD2 2.69Å; R39-D81 PolarHBondContact NH2-OD2 2.82Å; R39-N84 WeakPolarHBondContact CD-OD1 3.39Å; R39-N84 HydrophobicContact CG-CB 4.16Å; R39-N84 VanDerWaalsContact CZ-ND2 3.3Å; R39-N84 PolarHBondContact NE-ND2 3.22Å; R39-N84 PolarHBondContact NE-OD1 3.14Å; R39-N84 PolarHBondContact NH2-ND2 2.9Å; R39-N84 VanDerWaalsContact NH2-ND2 3.13Å |
| 40 | K | 81.5 | Confident | 88.5 | Confident | 186 Ų | 186 | 74.1 Ų | 74.1 | 81% | 0.809 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.3 | 178.8 | -62.5 | 179.2 | -178.8 | 176.5 | 0 | 114.6 | A38 | A38-K40 PolarHBondContact O-N 3.28Š|
| 41 | Y | 76.8 | Confident | 88.7 | Confident | 168 Ų | 168 | 72.5 Ų | 72.5 | 66% | 0.659 | 35% | 0.35 | S | S | * | . | trans | -81.6 | 120.2 | 178.6 | -70.6 | -60.1 | 0 | 0 | 0 | 111.8 | I14 A38 H43 | I14-Y41 HydrophobicContact CG2-CD2 4.07Å; I14-Y41 HydrophobicContact CG2-CG 4.35Å; A38-Y41 HydrophobicContact CB-CD2 3.76Å; A38-Y41 HydrophobicContact CB-CE2 4.04Å; A38-Y41 PolarHBondContact O-N 3.41Å; Y41-H43 VanDerWaalsContact C-N 3.34Å | ||
| 42 | T | 75 | Confident | 88.7 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 77% | 0.767 | 36% | 0.355 | S | S | * | . | trans | -94.8 | 14.4 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 43 | H | 80.6 | Confident | 88.5 | Confident | 152 Ų | 152 | 69.9 Ų | 69.9 | 70% | 0.704 | 35% | 0.346 | S | S | * | . | trans | -122.1 | 94.9 | -176.1 | -65.6 | -23 | 0 | 0 | 0 | 110.4 | Y41 | Y41-H43 VanDerWaalsContact C-N 3.34Š| ||
| 44 | S | 89.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -105.6 | 179 | 172.2 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | D12 Y13 | D12-S44 VanDerWaalsContact CG-CB 3.47Å; D12-S44 VanDerWaalsContact CG-OG 3.27Å; D12-S44 WeakPolarHBondContact OD2-CB 3.4Å; D12-S44 PolarHBondContact OD2-OG 3.01Å; Y13-S44 CarbonylContact O-C 3.59Å; Y13-S44 WeakPolarHBondContact O-CA 3.42Å | ||
| 45 | K | 87.2 | Confident | 88.3 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | trans | -138.6 | 130.2 | 164.6 | -65.3 | -175.3 | 178.9 | 180 | 0 | 109.9 | Y13 I47 | Y13-K45 PolarHBondContact N-O 3.2Å; Y13-K45 PolarHBondContact O-N 3.05Å; K45-I47 PolarHBondContact O-N 3.42Å | ||
| 46 | P | 93.5 | Very high | 88.4 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 42% | 0.416 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 127.2 | 178.4 | 26 | -34.1 | 0 | 0 | 0 | 110.8 | D12 | D12-P46 WeakPolarHBondContact OD1-CA 3.27Å |
| 47 | I | 94.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 164.4 | 178.6 | 59.4 | 70.3 | 0 | 0 | 0 | 111.6 | A11 K45 L49 V58 C59 Y67 F106 | A11-I47 HydrophobicContact CB-CD1 3.84Å; A11-I47 PolarHBondContact N-O 3.33Å; A11-I47 WeakPolarHBondContact O-CD1 3.47Å; A11-I47 VanDerWaalsContact O-CG1 3.26Å; A11-I47 WeakPolarHBondContact O-CG1 3.42Å; A11-I47 PolarHBondContact O-N 3.11Å; K45-I47 PolarHBondContact O-N 3.42Å; I47-L49 HydrophobicContact CD1-CD2 3.75Å; I47-L49 HydrophobicContact CD1-CG 3.69Å; I47-V58 HydrophobicContact CB-CG1 3.83Å; I47-V58 HydrophobicContact CD1-CG1 4.01Å; I47-V58 HydrophobicContact CG1-CG1 3.72Å; I47-V58 HydrophobicContact CG2-CG1 3.96Å; I47-C59 CarbonylContact C-O 3.51Å; I47-C59 WeakPolarHBondContact CA-O 3.4Å; I47-C59 WeakPolarHBondContact CB-O 3.31Å; I47-Y67 HydrophobicContact CG2-CD2 4Å; I47-Y67 HydrophobicContact CG2-CE2 3.95Å; I47-F106 HydrophobicContact CD1-CD1 3.93Å; I47-F106 HydrophobicContact CD1-CE1 4.07Å; I47-F106 HydrophobicContact CG1-CD1 4.22Å; I47-F106 HydrophobicContact CG1-CE1 4.29Å |
| 48 | I | 95 | Very high | 88.6 | Confident | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.5 | 165 | -56.9 | -61 | 0 | 0 | 0 | 108 | L8 P10 C59 K63 | L8-I48 HydrophobicContact CB-CG2 4.02Å; L8-I48 HydrophobicContact CD2-CG2 4.11Å; L8-I48 HydrophobicContact CG-CG2 4.04Å; P10-I48 HydrophobicContact CB-CD1 4.11Å; I48-C59 HydrophobicContact CB-CB 4.38Å; I48-C59 PolarHBondContact N-O 3.44Å; I48-C59 PolarHBondContact O-N 2.91Å; I48-K63 HydrophobicContact CG1-CG 4.39Å |
| 49 | L | 94.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.1 | 164.6 | -65.4 | 179.4 | 0 | 0 | 0 | 108.9 | L8 R9 A11 I47 V56 V58 F87 F106 L117 | L8-L49 CarbonylContact C-O 3.5Å; L8-L49 WeakPolarHBondContact CA-O 3.48Å; R9-L49 PolarHBondContact N-O 3.4Å; R9-L49 PolarHBondContact O-N 2.81Å; A11-L49 HydrophobicContact CB-CD1 4.14Å; A11-L49 HydrophobicContact CB-CG 4.36Å; I47-L49 HydrophobicContact CD1-CD2 3.75Å; I47-L49 HydrophobicContact CD1-CG 3.69Å; L49-V56 HydrophobicContact CD2-CG1 4.39Å; L49-V58 HydrophobicContact CD2-CG1 4.41Å; L49-V58 HydrophobicContact CD2-CG2 3.82Å; L49-F87 HydrophobicContact CD1-CD1 4.2Å; L49-F87 HydrophobicContact CD1-CE1 4.22Å; L49-F106 HydrophobicContact CD2-CD1 4.21Å; L49-F106 HydrophobicContact CD2-CE1 3.73Å; L49-F106 HydrophobicContact CD2-CE2 4.45Å; L49-F106 HydrophobicContact CD2-CZ 3.88Å; L49-L117 HydrophobicContact CD1-CD1 3.93Å; L49-L117 HydrophobicContact CD1-CD2 3.7Å; L49-L117 HydrophobicContact CD1-CG 4.5Å |
| 50 | L | 93.8 | Very high | 88.8 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 104.5 | 172.8 | -174 | 81.6 | 0 | 0 | 0 | 108.3 | P6 I7 L8 V56 K57 | P6-L50 HydrophobicContact CB-CD1 3.76Å; P6-L50 HydrophobicContact CB-CD2 4.49Å; P6-L50 HydrophobicContact CB-CG 4.01Å; P6-L50 HydrophobicContact CG-CD1 4.09Å; I7-L50 WeakPolarHBondContact O-CA 3.43Å; L8-L50 HydrophobicContact CD1-CD1 3.37Å; L8-L50 HydrophobicContact CG-CD1 3.67Å; L50-V56 CarbonylContact O-C 3.48Å; L50-V56 WeakPolarHBondContact O-CA 3.46Å; L50-K57 HydrophobicContact CB-CB 4.18Å; L50-K57 HydrophobicContact CD2-CB 4.37Å; L50-K57 HydrophobicContact CD2-CD 3.81Å; L50-K57 HydrophobicContact CD2-CG 4.19Å; L50-K57 PolarHBondContact N-O 3.29Å; L50-K57 PolarHBondContact O-N 2.85Å |
| 51 | I | 93.2 | Very high | 89 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.2 | -176.2 | -51.8 | 174.7 | 0 | 0 | 0 | 109.6 | P6 I7 V56 L117 I120 M121 V124 | P6-I51 CarbonylContact C-O 3.6Å; P6-I51 WeakPolarHBondContact CA-O 2.96Å; I7-I51 PolarHBondContact N-O 3.26Å; I7-I51 PolarHBondContact O-N 2.94Å; I51-V56 HydrophobicContact CG1-CG2 4.36Å; I51-V56 HydrophobicContact CG2-CG2 4.32Å; I51-L117 HydrophobicContact CD1-CD2 3.81Å; I51-I120 HydrophobicContact CB-CG2 4.12Å; I51-I120 HydrophobicContact CD1-CB 4.46Å; I51-I120 HydrophobicContact CD1-CG2 3.9Å; I51-I120 HydrophobicContact CG2-CG2 3.92Å; I51-M121 HydrophobicContact CD1-CG 4.28Å; I51-M121 HydrophobicContact CD1-SD 4.12Å; I51-M121 HydrophobicContact CG1-SD 4.39Å; I51-M121 HydrophobicContact CG2-SD 3.68Å; I51-V124 HydrophobicContact CG2-CB 4.43Å; I51-V124 HydrophobicContact CG2-CG1 4.31Å; I51-V124 HydrophobicContact CG2-CG2 4.2Å |
| 52 | S | 90 | Very high | 89.4 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 166.3 | -176.6 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | S54 G55 V124 | S52-S54 PolarHBondContact O-N 3.43Å; S52-S54 VanDerWaalsContact O-N 3.08Å; S52-S54 PolarHBondContact OG-N 3.3Å; S52-S54 PolarHBondContact OG-OG 3.45Å; S52-G55 PolarHBondContact N-O 2.83Å; S52-G55 VanDerWaalsContact N-O 3.09Å; S52-G55 PolarHBondContact O-N 3.45Å; S52-G55 PolarHBondContact OG-N 2.84Å; S52-G55 PolarHBondContact OG-O 3.43Å; S52-V124 WeakPolarHBondContact O-CG1 3.34Å |
| 53 | L | 87 | Confident | 89.5 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.9 | 168.5 | -67.9 | 171.7 | 0 | 0 | 0 | 113.8 | L4 L72 L127 A128 | L4-L53 HydrophobicContact CD1-CD1 4.14Å; L53-L72 WeakPolarHBondContact O-CD1 3.38Å; L53-L127 HydrophobicContact CD2-CB 3.83Å; L53-A128 HydrophobicContact CD2-CB 4.27Å |
| 54 | S | 86.4 | Confident | 89.3 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -21.2 | 174.4 | 77.8 | 0 | 0 | 0 | 0 | 113.5 | S52 A71 | S52-S54 PolarHBondContact O-N 3.43Å; S52-S54 VanDerWaalsContact O-N 3.08Å; S52-S54 PolarHBondContact OG-N 3.3Å; S52-S54 PolarHBondContact OG-OG 3.45Å; S54-A71 WeakPolarHBondContact O-CA 3.34Å |
| 55 | G | 90.1 | Very high | 89 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.4 | -178.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S52 H70 | S52-G55 PolarHBondContact N-O 2.83Å; S52-G55 VanDerWaalsContact N-O 3.09Å; S52-G55 PolarHBondContact O-N 3.45Å; S52-G55 PolarHBondContact OG-N 2.84Å; S52-G55 PolarHBondContact OG-O 3.43Å; G55-H70 CarbonylContact C-O 3.56Å; G55-H70 WeakPolarHBondContact CA-O 3.3Å |
| 56 | V | 93 | Very high | 89.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.5 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | L49 L50 I51 A69 H70 I75 F89 M121 | L49-V56 HydrophobicContact CD2-CG1 4.39Å; L50-V56 CarbonylContact O-C 3.48Å; L50-V56 WeakPolarHBondContact O-CA 3.46Å; I51-V56 HydrophobicContact CG1-CG2 4.36Å; I51-V56 HydrophobicContact CG2-CG2 4.32Å; V56-A69 CarbonylContact O-C 3.48Å; V56-A69 WeakPolarHBondContact O-CA 3.26Å; V56-H70 PolarHBondContact N-O 3.36Å; V56-H70 PolarHBondContact O-N 3.5Å; V56-I75 HydrophobicContact CB-CD1 4.04Å; V56-I75 HydrophobicContact CG2-CD1 3.58Å; V56-F89 HydrophobicContact CB-CZ 4.42Å; V56-F89 HydrophobicContact CG1-CE1 3.93Å; V56-F89 HydrophobicContact CG1-CZ 4.07Å; V56-M121 HydrophobicContact CG2-CE 3.97Å; V56-M121 HydrophobicContact CG2-SD 3.51Å; V56-M121 VanDerWaalsContact CG2-SD 3.51Å |
| 57 | K | 92.7 | Very high | 88.6 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.8 | 166.7 | -43.6 | -177.2 | -164.9 | 163 | 0 | 109.4 | L50 V66 A69 | L50-K57 HydrophobicContact CB-CB 4.18Å; L50-K57 HydrophobicContact CD2-CB 4.37Å; L50-K57 HydrophobicContact CD2-CD 3.81Å; L50-K57 HydrophobicContact CD2-CG 4.19Å; L50-K57 PolarHBondContact N-O 3.29Å; L50-K57 PolarHBondContact O-N 2.85Å; K57-V66 HydrophobicContact CB-CG1 4.3Å; K57-A69 HydrophobicContact CB-CB 4.3Å; K57-A69 HydrophobicContact CG-CB 3.97Å |
| 58 | V | 92.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 109.7 | 174.2 | -172.7 | 0 | 0 | 0 | 0 | 107.4 | I47 L49 Y67 M68 F106 | I47-V58 HydrophobicContact CB-CG1 3.83Å; I47-V58 HydrophobicContact CD1-CG1 4.01Å; I47-V58 HydrophobicContact CG1-CG1 3.72Å; I47-V58 HydrophobicContact CG2-CG1 3.96Å; L49-V58 HydrophobicContact CD2-CG1 4.41Å; L49-V58 HydrophobicContact CD2-CG2 3.82Å; V58-Y67 PolarHBondContact O-N 3.29Å; V58-M68 HydrophobicContact CB-CE 4.26Å; V58-M68 HydrophobicContact CB-CG 3.88Å; V58-M68 HydrophobicContact CG1-CE 4.47Å; V58-M68 HydrophobicContact CG2-CE 3.67Å; V58-M68 HydrophobicContact CG2-CG 3.81Å; V58-M68 PolarHBondContact N-O 3.39Å; V58-F106 HydrophobicContact CG1-CE1 4.11Å; V58-F106 HydrophobicContact CG2-CE1 4.19Å; V58-F106 HydrophobicContact CG2-CZ 4.02Å |
| 59 | C | 90.4 | Very high | 88 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 154.4 | -176.1 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | I47 I48 R65 | I47-C59 CarbonylContact C-O 3.51Å; I47-C59 WeakPolarHBondContact CA-O 3.4Å; I47-C59 WeakPolarHBondContact CB-O 3.31Å; I48-C59 HydrophobicContact CB-CB 4.38Å; I48-C59 PolarHBondContact N-O 3.44Å; I48-C59 PolarHBondContact O-N 2.91Å; C59-R65 CarbonylContact C-O 3.51Å; C59-R65 WeakPolarHBondContact CA-O 3.33Å |
| 60 | H | 87.4 | Confident | 87.7 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 157.4 | 163.4 | -175.5 | -118.9 | 0 | 0 | 0 | 110.8 | N62 K63 R65 Y67 | H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 VanDerWaalsContact ND1-CG 3.3Å; H60-N62 PolarHBondContact ND1-OD1 3.02Å; H60-N62 PolarHBondContact O-N 2.83Å; H60-K63 WeakPolarHBondContact O-CA 3.27Å; H60-K63 PolarHBondContact O-N 3.49Å; H60-R65 HydrophobicContact CB-CB 4.09Å; H60-R65 PolarHBondContact N-O 2.82Å; H60-Y67 HydrophobicContact CB-CE2 3.78Å; H60-Y67 PolarHBondContact CD2-OH 3.33Å |
| 61 | E | 86.7 | Confident | 87.5 | Confident | 124 Ų | 124 | 62.5 Ų | 62.5 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -43.3 | -178.2 | -172.6 | 174.6 | -159.4 | 0 | 0 | 113.2 | K63 | E61-K63 PolarHBondContact O-N 3.2Å; E61-K63 VanDerWaalsContact O-N 3.16Å |
| 62 | N | 84.7 | Confident | 87.2 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 3.1 | 177.7 | 78.4 | -12 | 0 | 0 | 0 | 115.1 | H60 E64 | H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 VanDerWaalsContact ND1-CG 3.3Å; H60-N62 PolarHBondContact ND1-OD1 3.02Å; H60-N62 PolarHBondContact O-N 2.83Å; N62-E64 PolarHBondContact ND2-OE2 3.23Å; N62-E64 PolarHBondContact O-N 3.31Å; N62-E64 PolarHBondContact OD1-N 3.1Å |
| 63 | K | 78.1 | Confident | 86.9 | Confident | 128 Ų | 128 | 68.9 Ų | 68.9 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 64.1 | -12 | 179.3 | -49.8 | 176.4 | -169.9 | 179.4 | 0 | 116.6 | L8 I48 H60 E61 R65 | L8-K63 HydrophobicContact CD2-CD 3.81Å; L8-K63 VanDerWaalsContact CD2-CE 3.48Å; L8-K63 VanDerWaalsContact CD2-NZ 3.3Å; I48-K63 HydrophobicContact CG1-CG 4.39Å; H60-K63 WeakPolarHBondContact O-CA 3.27Å; H60-K63 PolarHBondContact O-N 3.49Å; E61-K63 PolarHBondContact O-N 3.2Å; E61-K63 VanDerWaalsContact O-N 3.16Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 2.79Å |
| 64 | E | 76.3 | Confident | 86.9 | Confident | 166 Ų | 166 | 71.3 Ų | 71.3 | 78% | 0.776 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -63.2 | -33.3 | -178.9 | -62.8 | 176.6 | 163.6 | 0 | 0 | 113.6 | N62 | N62-E64 PolarHBondContact ND2-OE2 3.23Å; N62-E64 PolarHBondContact O-N 3.31Å; N62-E64 PolarHBondContact OD1-N 3.1Å |
| 65 | R | 82.9 | Confident | 87 | Confident | 165 Ų | 165 | 67.6 Ų | 67.6 | 62% | 0.623 | 32% | 0.32 | S | S | * | . | trans | -118.8 | 116.7 | -169.3 | -173 | 176.8 | -174 | 166.2 | 3.7 | 112 | C59 H60 K63 | C59-R65 CarbonylContact C-O 3.51Å; C59-R65 WeakPolarHBondContact CA-O 3.33Å; H60-R65 HydrophobicContact CB-CB 4.09Å; H60-R65 PolarHBondContact N-O 2.82Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 2.79Å | ||
| 66 | V | 88.6 | Confident | 86.7 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.5 | 167.8 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | K57 M68 A69 | K57-V66 HydrophobicContact CB-CG1 4.3Å; V66-M68 WeakPolarHBondContact CG1-O 3.14Å; V66-A69 HydrophobicContact CG1-CB 4.35Å |
| 67 | Y | 83.7 | Confident | 86.3 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 44% | 0.435 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -46.1 | 172.5 | -69.2 | -62.5 | 0 | 0 | 0 | 112.1 | I47 V58 H60 | I47-Y67 HydrophobicContact CG2-CD2 4Å; I47-Y67 HydrophobicContact CG2-CE2 3.95Å; V58-Y67 PolarHBondContact O-N 3.29Å; H60-Y67 HydrophobicContact CB-CE2 3.78Å; H60-Y67 PolarHBondContact CD2-OH 3.33Å |
| 68 | M | 88.3 | Confident | 86.3 | Confident | 37 Ų | 37 | 67 Ų | 67 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156 | 178.1 | 59 | -166.7 | -174.6 | 0 | 0 | 111.2 | Y13 V58 V66 H104 F106 | Y13-M68 HydrophobicContact CD2-CE 4.24Å; Y13-M68 HydrophobicContact CE2-CE 3.62Å; V58-M68 HydrophobicContact CB-CE 4.26Å; V58-M68 HydrophobicContact CB-CG 3.88Å; V58-M68 HydrophobicContact CG1-CE 4.47Å; V58-M68 HydrophobicContact CG2-CE 3.67Å; V58-M68 HydrophobicContact CG2-CG 3.81Å; V58-M68 PolarHBondContact N-O 3.39Å; V66-M68 WeakPolarHBondContact CG1-O 3.14Å; M68-H104 HydrophobicContact CE-CB 3.99Å; M68-H104 WeakPolarHBondContact CE-ND1 3.35Å; M68-F106 HydrophobicContact CE-CZ 4.14Å |
| 69 | A | 88.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 68 Ų | 68 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 130.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | V56 K57 V66 | V56-A69 CarbonylContact O-C 3.48Å; V56-A69 WeakPolarHBondContact O-CA 3.26Å; K57-A69 HydrophobicContact CB-CB 4.3Å; K57-A69 HydrophobicContact CG-CB 3.97Å; V66-A69 HydrophobicContact CG1-CB 4.35Å |
| 70 | H | 88.4 | Confident | 86.4 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 112.2 | -173.8 | -57.2 | -99 | 0 | 0 | 0 | 108.6 | G55 V56 I75 F89 A91 H104 | G55-H70 CarbonylContact C-O 3.56Å; G55-H70 WeakPolarHBondContact CA-O 3.3Å; V56-H70 PolarHBondContact N-O 3.36Å; V56-H70 PolarHBondContact O-N 3.5Å; H70-I75 HydrophobicContact CB-CD1 4.14Å; H70-I75 HydrophobicContact CB-CG1 4.09Å; H70-F89 HydrophobicContact CB-CE2 4.49Å; H70-A91 HydrophobicContact CB-CB 4.32Å; H70-A91 WeakPolarHBondContact ND1-CB 3.39Å; H70-H104 AromaticContact CE1-CE1 3.53Å; H70-H104 AromaticContact CE1-NE2 3.22Å; H70-H104 PolarHBondContact CE1-NE2 3.36Å; H70-H104 AromaticContact ND1-NE2 3.86Å; H70-H104 AromaticContact NE2-CE1 3.74Å; H70-H104 AromaticContact NE2-NE2 3.68Å |
| 71 | A | 89.2 | Confident | 86.7 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | trans | -61.2 | 142.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S54 R73 R74 | S54-A71 WeakPolarHBondContact O-CA 3.34Å; A71-R73 VanDerWaalsContact C-N 3.31Å; A71-R73 PolarHBondContact O-N 3.07Å; A71-R74 WeakPolarHBondContact O-CB 3.39Å; A71-R74 PolarHBondContact O-N 2.81Å | ||
| 72 | L | 87.2 | Confident | 86.9 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -49.4 | -49.9 | -171.2 | -75 | -176.6 | 0 | 0 | 0 | 112.8 | L53 R74 I75 M121 V124 F125 A128 Y706 | L53-L72 WeakPolarHBondContact O-CD1 3.38Å; L72-R74 PolarHBondContact O-N 2.86Å; L72-I75 PolarHBondContact O-N 2.99Å; L72-M121 HydrophobicContact CD2-CE 4.45Å; L72-V124 HydrophobicContact CD1-CG1 3.53Å; L72-V124 HydrophobicContact CD2-CG1 3.84Å; L72-V124 HydrophobicContact CG-CG1 4.28Å; L72-F125 HydrophobicContact CD2-CD1 4.47Å; L72-F125 HydrophobicContact CD2-CE1 4.3Å; L72-A128 HydrophobicContact CD1-CB 3.71Å; L72-Y706 PolarHBondContact O-OH 2.93Å |
| 73 | R | 82.9 | Confident | 87.3 | Confident | 142 Ų | 142 | 66.6 Ų | 66.6 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -54.1 | 5.3 | 177.2 | -70.2 | -171.4 | 63.6 | -175.2 | -1.3 | 116.6 | A71 D703 | A71-R73 VanDerWaalsContact C-N 3.31Å; A71-R73 PolarHBondContact O-N 3.07Å; R73-D703 IonicContact CZ-OD1 3.65Å; R73-D703 IonicContact CZ-OD2 3.67Å; R73-D703 IonicContact NE-OD1 2.79Å; R73-D703 IonicContact NH2-OD1 3.1Å; R73-D703 PolarHBondContact NH2-OD1 3.16Å; R73-D703 IonicContact NH2-OD2 3.49Å; R73-D703 PolarHBondContact NH2-OD2 2.93Å |
| 74 | R | 87.6 | Confident | 88 | Confident | 97 Ų | 97 | 63 Ų | 63 | 37% | 0.366 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -117.7 | -13.1 | 174.1 | -63.4 | -174.7 | 177.6 | 174.9 | 0.3 | 113.7 | A71 L72 A91 R92 | A71-R74 WeakPolarHBondContact O-CB 3.39Å; A71-R74 PolarHBondContact O-N 2.81Å; L72-R74 PolarHBondContact O-N 2.86Å; R74-A91 CarbonylContact O-C 3.55Å; R74-A91 VanDerWaalsContact O-CA 3.31Å; R74-A91 WeakPolarHBondContact O-CA 3.3Å; R74-R92 HydrophobicContact CB-CB 4.2Å; R74-R92 PolarHBondContact O-N 2.94Å |
| 75 | I | 88.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.7 | -179.7 | -50.3 | 178.8 | 0 | 0 | 0 | 107.3 | V56 H70 L72 F89 L90 A91 M121 F125 Y706 | V56-I75 HydrophobicContact CB-CD1 4.04Å; V56-I75 HydrophobicContact CG2-CD1 3.58Å; H70-I75 HydrophobicContact CB-CD1 4.14Å; H70-I75 HydrophobicContact CB-CG1 4.09Å; L72-I75 PolarHBondContact O-N 2.99Å; I75-F89 HydrophobicContact CD1-CD2 4.17Å; I75-F89 HydrophobicContact CD1-CE2 4.27Å; I75-F89 HydrophobicContact CG1-CD2 4.3Å; I75-F89 HydrophobicContact CG2-CB 3.83Å; I75-F89 HydrophobicContact CG2-CD2 3.82Å; I75-F89 HydrophobicContact CG2-CG 4.16Å; I75-L90 CarbonylContact C-O 3.55Å; I75-L90 VanDerWaalsContact CA-O 3.26Å; I75-L90 WeakPolarHBondContact CA-O 3.13Å; I75-L90 WeakPolarHBondContact CG2-O 3.35Å; I75-A91 HydrophobicContact CG1-CB 4.25Å; I75-M121 HydrophobicContact CD1-CE 4.12Å; I75-M121 HydrophobicContact CG2-CE 4.29Å; I75-F125 HydrophobicContact CB-CE1 4.19Å; I75-F125 HydrophobicContact CB-CZ 3.93Å; I75-F125 HydrophobicContact CG2-CZ 3.78Å; I75-Y706 WeakPolarHBondContact O-CE2 3.28Å; I75-Y706 PolarHBondContact O-OH 3.41Å |
| 76 | S | 83.6 | Confident | 89.5 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -14.4 | -167.8 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | L90 Q101 | S76-L90 PolarHBondContact N-O 2.91Å; S76-L90 PolarHBondContact OG-O 3.21Å; S76-Q101 PolarHBondContact OG-OE1 2.93Å |
| 77 | Y | 84.7 | Confident | 89.8 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 141.9 | -173.6 | 176 | -114.2 | 0 | 0 | 0 | 109.7 | V31 T79 F89 L90 | V31-Y77 HydrophobicContact CG1-CE1 4.29Å; Y77-T79 HydrophobicContact CE1-CG2 3.8Å; Y77-T79 WeakPolarHBondContact OH-CB 3.42Å; Y77-T79 PolarHBondContact OH-OG1 2.92Å; Y77-F89 WeakPolarHBondContact O-CA 3.48Å; Y77-L90 HydrophobicContact CD1-CB 4.48Å; Y77-L90 PolarHBondContact O-N 2.85Å |
| 78 | A | 92 | Very high | 90.3 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F87 A88 F89 M121 F125 S713 | A78-F87 HydrophobicContact CB-CE2 4.36Å; A78-A88 WeakPolarHBondContact CA-O 3.4Å; A78-F89 HydrophobicContact CB-CB 4.39Å; A78-M121 HydrophobicContact CB-CB 4.3Å; A78-F125 HydrophobicContact CB-CE2 4.39Å; A78-S713 PolarHBondContact N-OG 2.91Å |
| 79 | T | 91.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 156.9 | 178.2 | -166.8 | 0 | 0 | 0 | 0 | 112.2 | V31 L35 Y77 F87 A88 N118 | V31-T79 HydrophobicContact CG1-CG2 4.14Å; L35-T79 HydrophobicContact CD1-CG2 3.99Å; Y77-T79 HydrophobicContact CE1-CG2 3.8Å; Y77-T79 WeakPolarHBondContact OH-CB 3.42Å; Y77-T79 PolarHBondContact OH-OG1 2.92Å; T79-F87 VanDerWaalsContact O-CD2 3.31Å; T79-F87 WeakPolarHBondContact O-CD2 3.45Å; T79-A88 HydrophobicContact CG2-CB 4.41Å; T79-A88 PolarHBondContact N-O 2.82Å; T79-A88 PolarHBondContact O-N 3.43Å; T79-N118 VanDerWaalsContact CA-OD1 3.27Å; T79-N118 WeakPolarHBondContact CA-OD1 3.44Å; T79-N118 PolarHBondContact N-OD1 2.88Å |
| 80 | C | 93.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.054 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.9 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | Q86 F87 A114 N118 K720 | C80-Q86 CarbonylContact C-O 3.53Å; C80-Q86 VanDerWaalsContact CA-O 3.25Å; C80-Q86 WeakPolarHBondContact CA-O 3.03Å; C80-F87 HydrophobicContact CB-CD2 4.43Å; C80-A114 HydrophobicContact CB-CB 4.25Å; C80-A114 WeakPolarHBondContact CB-O 3.31Å; C80-N118 HydrophobicContact CB-CB 4.02Å; C80-K720 PolarHBondContact O-NZ 3.21Å |
| 81 | D | 93.3 | Very high | 90.9 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 86.8 | 170 | 172 | -2.4 | 0 | 0 | 0 | 106.7 | R39 E83 N84 L85 Q86 | R39-D81 IonicContact CZ-OD2 3.72Å; R39-D81 IonicContact NE-OD2 2.71Å; R39-D81 PolarHBondContact NE-OD2 3.28Å; R39-D81 IonicContact NH2-OD1 3.93Å; R39-D81 IonicContact NH2-OD2 2.69Å; R39-D81 PolarHBondContact NH2-OD2 2.82Å; D81-E83 VanDerWaalsContact C-N 3.33Å; D81-E83 PolarHBondContact O-N 2.87Å; D81-N84 VanDerWaalsContact CG-ND2 3.35Å; D81-N84 CarbonylContact O-C 3.55Å; D81-N84 PolarHBondContact O-N 2.87Å; D81-N84 PolarHBondContact OD1-N 2.87Å; D81-N84 PolarHBondContact OD1-ND2 3.36Å; D81-N84 PolarHBondContact OD2-ND2 2.81Å; D81-N84 VanDerWaalsContact OD2-ND2 3.16Å; D81-L85 PolarHBondContact O-N 2.91Å; D81-L85 VanDerWaalsContact O-N 3.16Å; D81-Q86 HydrophobicContact CB-CB 4.22Å; D81-Q86 PolarHBondContact N-O 2.85Å; D81-Q86 PolarHBondContact O-N 3.01Å |
| 82 | P | 92.1 | Very high | 90.7 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 16% | 0.156 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -64.5 | -35.5 | -172.3 | -23.1 | 35.1 | 0 | 0 | 0 | 112.8 | N84 L85 P111 E115 | P82-N84 PolarHBondContact O-N 2.81Å; P82-N84 VanDerWaalsContact O-N 3.1Å; P82-L85 PolarHBondContact O-N 2.79Å; P82-P111 HydrophobicContact CB-CB 3.77Å; P82-P111 WeakPolarHBondContact O-CB 3.29Å; P82-E115 HydrophobicContact CB-CG 4.02Å; P82-E115 HydrophobicContact CG-CG 3.45Å; P82-E115 VanDerWaalsContact CG-CG 3.45Å; P82-E115 WeakPolarHBondContact CG-OE1 3.39Å |
| 83 | E | 93.2 | Very high | 90.2 | Very high | 180 Ų | 180 | 39.6 Ų | 39.6 | 84% | 0.841 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -56 | -28.4 | 176.3 | -63.8 | -177.7 | 176.7 | 0 | 0 | 112.6 | D81 | D81-E83 VanDerWaalsContact C-N 3.33Å; D81-E83 PolarHBondContact O-N 2.87Å |
| 84 | N | 93 | Very high | 89.6 | Confident | 53 Ų | 53 | 36.6 Ų | 36.6 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -113.1 | 13.7 | -179.4 | -61.5 | -96 | 0 | 0 | 0 | 112.4 | R39 D81 P82 Q86 | R39-N84 WeakPolarHBondContact CD-OD1 3.39Å; R39-N84 HydrophobicContact CG-CB 4.16Å; R39-N84 VanDerWaalsContact CZ-ND2 3.3Å; R39-N84 PolarHBondContact NE-ND2 3.22Å; R39-N84 PolarHBondContact NE-OD1 3.14Å; R39-N84 PolarHBondContact NH2-ND2 2.9Å; R39-N84 VanDerWaalsContact NH2-ND2 3.13Å; D81-N84 VanDerWaalsContact CG-ND2 3.35Å; D81-N84 CarbonylContact O-C 3.55Å; D81-N84 PolarHBondContact O-N 2.87Å; D81-N84 PolarHBondContact OD1-N 2.87Å; D81-N84 PolarHBondContact OD1-ND2 3.36Å; D81-N84 PolarHBondContact OD2-ND2 2.81Å; D81-N84 VanDerWaalsContact OD2-ND2 3.16Å; P82-N84 PolarHBondContact O-N 2.81Å; P82-N84 VanDerWaalsContact O-N 3.1Å; N84-Q86 PolarHBondContact O-N 2.87Å; N84-Q86 VanDerWaalsContact O-N 3.15Å |
| 85 | L | 94.7 | Very high | 88.8 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.3 | -179.2 | -50.7 | 176.5 | 0 | 0 | 0 | 113.8 | D81 P82 V107 T108 T110 P111 | D81-L85 PolarHBondContact O-N 2.91Å; D81-L85 VanDerWaalsContact O-N 3.16Å; P82-L85 PolarHBondContact O-N 2.79Å; L85-V107 HydrophobicContact CB-CG1 4.03Å; L85-V107 CarbonylContact O-C 3.43Å; L85-V107 VanDerWaalsContact O-CA 3.26Å; L85-V107 WeakPolarHBondContact O-CA 3.39Å; L85-T108 PolarHBondContact O-N 3.18Å; L85-T108 PolarHBondContact O-OG1 2.69Å; L85-T110 VanDerWaalsContact CD2-C 3.41Å; L85-P111 HydrophobicContact CD2-CB 4.31Å; L85-P111 VanDerWaalsContact CD2-N 3.34Å |
| 86 | Q | 94.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136.3 | -172.5 | -78.9 | 178.7 | 2.4 | 0 | 0 | 112.4 | I14 L35 C80 D81 N84 F106 | I14-Q86 HydrophobicContact CD1-CG 4.46Å; L35-Q86 PolarHBondContact O-NE2 3.16Å; L35-Q86 PolarHBondContact O-OE1 3.28Å; C80-Q86 CarbonylContact C-O 3.53Å; C80-Q86 VanDerWaalsContact CA-O 3.25Å; C80-Q86 WeakPolarHBondContact CA-O 3.03Å; D81-Q86 HydrophobicContact CB-CB 4.22Å; D81-Q86 PolarHBondContact N-O 2.85Å; D81-Q86 PolarHBondContact O-N 3.01Å; N84-Q86 PolarHBondContact O-N 2.87Å; N84-Q86 VanDerWaalsContact O-N 3.15Å; Q86-F106 WeakPolarHBondContact CA-O 3.2Å |
| 87 | F | 95.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.1 | 167.1 | 170.5 | -103 | 0 | 0 | 0 | 109.8 | L49 A78 T79 C80 F89 F106 L117 N118 M121 | L49-F87 HydrophobicContact CD1-CD1 4.2Å; L49-F87 HydrophobicContact CD1-CE1 4.22Å; A78-F87 HydrophobicContact CB-CE2 4.36Å; T79-F87 VanDerWaalsContact O-CD2 3.31Å; T79-F87 WeakPolarHBondContact O-CD2 3.45Å; C80-F87 HydrophobicContact CB-CD2 4.43Å; F87-F89 HydrophobicContact CE1-CD1 4.04Å; F87-F89 HydrophobicContact CZ-CD1 4.4Å; F87-F106 HydrophobicContact CD1-CD2 4.02Å; F87-F106 HydrophobicContact CE1-CD2 4.44Å; F87-F106 PolarHBondContact N-O 3.38Å; F87-F106 PolarHBondContact O-N 2.85Å; F87-L117 HydrophobicContact CB-CB 4.48Å; F87-L117 HydrophobicContact CB-CD1 4.09Å; F87-L117 HydrophobicContact CD1-CB 4.1Å; F87-L117 HydrophobicContact CD1-CD1 3.86Å; F87-L117 HydrophobicContact CD1-CG 4.48Å; F87-L117 HydrophobicContact CD2-CB 3.89Å; F87-L117 HydrophobicContact CE1-CB 4.36Å; F87-L117 HydrophobicContact CE2-CB 4.18Å; F87-L117 HydrophobicContact CG-CB 3.86Å; F87-L117 HydrophobicContact CG-CD1 3.99Å; F87-L117 HydrophobicContact CZ-CB 4.42Å; F87-N118 HydrophobicContact CD2-CB 4.33Å; F87-N118 HydrophobicContact CE2-CB 4.28Å; F87-M121 HydrophobicContact CE2-CG 4.47Å; F87-M121 HydrophobicContact CZ-CG 3.9Å |
| 88 | A | 95.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 151.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L35 A78 T79 H104 A105 | L35-A88 HydrophobicContact CD1-CB 3.99Å; L35-A88 HydrophobicContact CD2-CB 4Å; A78-A88 WeakPolarHBondContact CA-O 3.4Å; T79-A88 HydrophobicContact CG2-CB 4.41Å; T79-A88 PolarHBondContact N-O 2.82Å; T79-A88 PolarHBondContact O-N 3.43Å; A88-H104 WeakPolarHBondContact CA-O 3.48Å; A88-H104 WeakPolarHBondContact CB-O 3.41Å; A88-A105 HydrophobicContact CB-CB 4.34Å |
| 89 | F | 94 | Very high | 84.6 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.9 | 170.9 | 68.1 | -98.6 | 0 | 0 | 0 | 112 | V56 H70 I75 Y77 A78 F87 A91 C103 H104 F106 | V56-F89 HydrophobicContact CB-CZ 4.42Å; V56-F89 HydrophobicContact CG1-CE1 3.93Å; V56-F89 HydrophobicContact CG1-CZ 4.07Å; H70-F89 HydrophobicContact CB-CE2 4.49Å; I75-F89 HydrophobicContact CD1-CD2 4.17Å; I75-F89 HydrophobicContact CD1-CE2 4.27Å; I75-F89 HydrophobicContact CG1-CD2 4.3Å; I75-F89 HydrophobicContact CG2-CB 3.83Å; I75-F89 HydrophobicContact CG2-CD2 3.82Å; I75-F89 HydrophobicContact CG2-CG 4.16Å; Y77-F89 WeakPolarHBondContact O-CA 3.48Å; A78-F89 HydrophobicContact CB-CB 4.39Å; F87-F89 HydrophobicContact CE1-CD1 4.04Å; F87-F89 HydrophobicContact CZ-CD1 4.4Å; F89-A91 HydrophobicContact CD2-CB 4.18Å; F89-A91 HydrophobicContact CE2-CB 4.11Å; F89-C103 CarbonylContact O-C 3.53Å; F89-C103 WeakPolarHBondContact O-CA 3.37Å; F89-H104 HydrophobicContact CD2-CB 4.48Å; F89-H104 AromaticContact CD2-CD2 3.8Å; F89-H104 HydrophobicContact CE1-CB 4.23Å; F89-H104 HydrophobicContact CE2-CB 4.13Å; F89-H104 AromaticContact CE2-CD2 3.33Å; F89-H104 WeakPolarHBondContact CE2-CD2 3.47Å; F89-H104 AromaticContact CE2-CG 3.93Å; F89-H104 HydrophobicContact CZ-CB 3.99Å; F89-H104 AromaticContact CZ-CD2 3.96Å; F89-H104 PolarHBondContact N-O 2.69Å; F89-H104 VanDerWaalsContact N-O 3.1Å; F89-H104 PolarHBondContact O-N 3.46Å; F89-F106 AromaticContact CD1-CE2 3.83Å; F89-F106 HydrophobicContact CD1-CE2 3.83Å; F89-F106 AromaticContact CE1-CE2 3.5Å; F89-F106 HydrophobicContact CE1-CE2 3.5Å; F89-F106 AromaticContact CE1-CZ 3.78Å; F89-F106 HydrophobicContact CE1-CZ 3.78Å; F89-F106 HydrophobicContact CZ-CE2 4.4Å; F89-F106 HydrophobicContact CZ-CZ 4.4Å |
| 90 | L | 92.4 | Very high | 83.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.2 | -177.1 | -175 | 64.6 | 0 | 0 | 0 | 109.7 | V19 R27 I75 S76 Y77 Q101 Y102 C103 | V19-L90 HydrophobicContact CB-CD1 3.81Å; V19-L90 HydrophobicContact CG1-CD1 4.33Å; V19-L90 HydrophobicContact CG2-CD1 3.77Å; R27-L90 HydrophobicContact CB-CD2 4.43Å; I75-L90 CarbonylContact C-O 3.55Å; I75-L90 VanDerWaalsContact CA-O 3.26Å; I75-L90 WeakPolarHBondContact CA-O 3.13Å; I75-L90 WeakPolarHBondContact CG2-O 3.35Å; S76-L90 PolarHBondContact N-O 2.91Å; S76-L90 PolarHBondContact OG-O 3.21Å; Y77-L90 HydrophobicContact CD1-CB 4.48Å; Y77-L90 PolarHBondContact O-N 2.85Å; L90-Q101 HydrophobicContact CD1-CB 3.72Å; L90-Q101 HydrophobicContact CD2-CB 4.46Å; L90-Q101 HydrophobicContact CG-CB 3.92Å; L90-Y102 WeakPolarHBondContact CA-O 3.27Å; L90-C103 HydrophobicContact CD1-CB 3.96Å |
| 91 | A | 90.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H70 R74 I75 F89 Q101 Y102 | H70-A91 HydrophobicContact CB-CB 4.32Å; H70-A91 WeakPolarHBondContact ND1-CB 3.39Å; R74-A91 CarbonylContact O-C 3.55Å; R74-A91 VanDerWaalsContact O-CA 3.31Å; R74-A91 WeakPolarHBondContact O-CA 3.3Å; I75-A91 HydrophobicContact CG1-CB 4.25Å; F89-A91 HydrophobicContact CD2-CB 4.18Å; F89-A91 HydrophobicContact CE2-CB 4.11Å; A91-Q101 WeakPolarHBondContact O-CA 3.28Å; A91-Y102 PolarHBondContact N-O 3.46Å; A91-Y102 PolarHBondContact O-N 2.94Å |
| 92 | R | 85.6 | Confident | 83.2 | Confident | 57 Ų | 57 | 55 Ų | 55 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131.9 | 170 | -70.3 | 169.2 | 171.2 | 173.8 | -3.1 | 110.7 | R74 P98 Q101 | R74-R92 HydrophobicContact CB-CB 4.2Å; R74-R92 PolarHBondContact O-N 2.94Å; R92-P98 PolarHBondContact NE-O 2.78Å; R92-P98 PolarHBondContact NH2-O 2.9Å; R92-Q101 HydrophobicContact CG-CG 3.8Å |
| 93 | E | 75.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 54 Ų | 54 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 155.4 | 173.9 | -97.6 | -168.8 | 151.3 | 0 | 0 | 112.6 | K95 A96 Y102 | E93-K95 PolarHBondContact O-N 2.73Å; E93-A96 HydrophobicContact CB-CB 3.7Å; E93-A96 PolarHBondContact O-N 3.46Å; E93-Y102 VanDerWaalsContact CD-CE2 3.42Å; E93-Y102 HydrophobicContact CG-CD2 3.85Å; E93-Y102 HydrophobicContact CG-CE2 3.84Å; E93-Y102 VanDerWaalsContact OE2-CE2 3.28Å; E93-Y102 WeakPolarHBondContact OE2-CE2 3.4Å |
| 94 | P | 71.5 | Confident | 83.2 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123.2 | 173.2 | -9 | 21.2 | 0 | 0 | 0 | 110.9 | A96 | P94-A96 PolarHBondContact O-N 3.21Š|
| 95 | K | 70.4 | Confident | 83.3 | Confident | 206 Ų | 206 | 43.5 Ų | 43.5 | 90% | 0.896 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 6.4 | 179.6 | -42.1 | 167 | -175.1 | 173.5 | 0 | 115.1 | E93 | E93-K95 PolarHBondContact O-N 2.73Š|
| 96 | A | 66.8 | Low | 83.3 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | trans | -72.7 | 160.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E93 P94 V100 | E93-A96 HydrophobicContact CB-CB 3.7Å; E93-A96 PolarHBondContact O-N 3.46Å; P94-A96 PolarHBondContact O-N 3.21Å; A96-V100 HydrophobicContact CB-CB 4.4Å; A96-V100 HydrophobicContact CB-CG1 4.48Å | ||
| 97 | Q | 65.6 | Low | 83.4 | Confident | 145 Ų | 145 | 42.7 Ų | 42.7 | 68% | 0.678 | 22% | 0.219 | S | C | * | . | trans | -66.6 | 148.1 | 172 | -67.7 | -176.9 | -3.4 | 0 | 0 | 110.4 | N99 V100 | Q97-N99 PolarHBondContact O-N 2.72Å; Q97-V100 HydrophobicContact CB-CG2 4.26Å; Q97-V100 PolarHBondContact O-N 3.06Å | ||
| 98 | P | 64.4 | Low | 83.4 | Confident | 41 Ų | 41 | 43 Ų | 43 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.9 | -175.9 | -29.1 | 35.8 | 0 | 0 | 0 | 115.7 | R92 Q101 E702 | R92-P98 PolarHBondContact NE-O 2.78Å; R92-P98 PolarHBondContact NH2-O 2.9Å; P98-Q101 PolarHBondContact O-NE2 3.3Å; P98-E702 WeakPolarHBondContact CB-OE1 3.35Å; P98-E702 VanDerWaalsContact CG-OE1 3.27Å; P98-E702 WeakPolarHBondContact CG-OE1 3.26Å |
| 99 | N | 64.6 | Low | 83.3 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -6.7 | -177.4 | -60.4 | -14.5 | 0 | 0 | 0 | 113.7 | Q97 | Q97-N99 PolarHBondContact O-N 2.72Š|
| 100 | V | 72.3 | Confident | 83.4 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | trans | -98 | 104.7 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 108 | L18 A96 Q97 | L18-V100 HydrophobicContact CD1-CG1 3.87Å; A96-V100 HydrophobicContact CB-CB 4.4Å; A96-V100 HydrophobicContact CB-CG1 4.48Å; Q97-V100 HydrophobicContact CB-CG2 4.26Å; Q97-V100 PolarHBondContact O-N 3.06Å | ||
| 101 | Q | 85.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140 | -171.3 | -53.5 | -173.1 | 16.2 | 0 | 0 | 110.1 | V19 S76 L90 A91 R92 P98 | V19-Q101 PolarHBondContact N-O 2.81Å; V19-Q101 PolarHBondContact O-N 3.44Å; V19-Q101 VanDerWaalsContact O-O 3.11Å; S76-Q101 PolarHBondContact OG-OE1 2.93Å; L90-Q101 HydrophobicContact CD1-CB 3.72Å; L90-Q101 HydrophobicContact CD2-CB 4.46Å; L90-Q101 HydrophobicContact CG-CB 3.92Å; A91-Q101 WeakPolarHBondContact O-CA 3.28Å; R92-Q101 HydrophobicContact CG-CG 3.8Å; P98-Q101 PolarHBondContact O-NE2 3.3Å |
| 102 | Y | 90 | Very high | 84 | Confident | 54 Ų | 54 | 59 Ų | 59 | 21% | 0.212 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.1 | 175.5 | -69.3 | -92 | 0 | 0 | 0 | 109.5 | F17 L18 L90 A91 E93 H104 | F17-Y102 WeakPolarHBondContact O-CA 3.34Å; L18-Y102 HydrophobicContact CB-CD1 4.39Å; L18-Y102 HydrophobicContact CB-CE1 4.14Å; L18-Y102 HydrophobicContact CD1-CE1 4.39Å; L90-Y102 WeakPolarHBondContact CA-O 3.27Å; A91-Y102 PolarHBondContact N-O 3.46Å; A91-Y102 PolarHBondContact O-N 2.94Å; E93-Y102 VanDerWaalsContact CD-CE2 3.42Å; E93-Y102 HydrophobicContact CG-CD2 3.85Å; E93-Y102 HydrophobicContact CG-CE2 3.84Å; E93-Y102 VanDerWaalsContact OE2-CE2 3.28Å; E93-Y102 WeakPolarHBondContact OE2-CE2 3.4Å; Y102-H104 PolarHBondContact O-CD2 3.16Å; Y102-H104 PolarHBondContact O-NE2 2.71Å |
| 103 | C | 92.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.3 | 167.2 | -169.5 | 0 | 0 | 0 | 0 | 108.2 | S16 F17 V19 V31 F89 L90 | S16-C103 CarbonylContact C-O 3.56Å; S16-C103 WeakPolarHBondContact CA-O 3.27Å; F17-C103 HydrophobicContact CD2-CB 3.75Å; F17-C103 HydrophobicContact CE1-CB 4.15Å; F17-C103 HydrophobicContact CE2-CB 3.32Å; F17-C103 HydrophobicContact CG-CB 4.36Å; F17-C103 HydrophobicContact CZ-CB 3.55Å; F17-C103 PolarHBondContact N-O 3.16Å; F17-C103 PolarHBondContact O-N 3.1Å; V19-C103 HydrophobicContact CG2-CB 3.85Å; V31-C103 HydrophobicContact CG2-CB 4.07Å; F89-C103 CarbonylContact O-C 3.53Å; F89-C103 WeakPolarHBondContact O-CA 3.37Å; L90-C103 HydrophobicContact CD1-CB 3.96Å |
| 104 | H | 93.6 | Very high | 85.4 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.1 | 177.6 | -53.4 | -80 | 0 | 0 | 0 | 107.4 | S16 M68 H70 A88 F89 Y102 F106 | S16-H104 PolarHBondContact OG-ND1 2.88Å; M68-H104 HydrophobicContact CE-CB 3.99Å; M68-H104 WeakPolarHBondContact CE-ND1 3.35Å; H70-H104 AromaticContact CE1-CE1 3.53Å; H70-H104 AromaticContact CE1-NE2 3.22Å; H70-H104 PolarHBondContact CE1-NE2 3.36Å; H70-H104 AromaticContact ND1-NE2 3.86Å; H70-H104 AromaticContact NE2-CE1 3.74Å; H70-H104 AromaticContact NE2-NE2 3.68Å; A88-H104 WeakPolarHBondContact CA-O 3.48Å; A88-H104 WeakPolarHBondContact CB-O 3.41Å; F89-H104 HydrophobicContact CD2-CB 4.48Å; F89-H104 AromaticContact CD2-CD2 3.8Å; F89-H104 HydrophobicContact CE1-CB 4.23Å; F89-H104 HydrophobicContact CE2-CB 4.13Å; F89-H104 AromaticContact CE2-CD2 3.33Å; F89-H104 WeakPolarHBondContact CE2-CD2 3.47Å; F89-H104 AromaticContact CE2-CG 3.93Å; F89-H104 HydrophobicContact CZ-CB 3.99Å; F89-H104 AromaticContact CZ-CD2 3.96Å; F89-H104 PolarHBondContact N-O 2.69Å; F89-H104 VanDerWaalsContact N-O 3.1Å; F89-H104 PolarHBondContact O-N 3.46Å; Y102-H104 PolarHBondContact O-CD2 3.16Å; Y102-H104 PolarHBondContact O-NE2 2.71Å; H104-F106 HydrophobicContact CB-CE2 3.83Å; H104-F106 HydrophobicContact CB-CZ 3.97Å; H104-F106 WeakPolarHBondContact O-CE2 3.38Å |
| 105 | A | 94.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y13 I14 G15 F17 L35 A88 | Y13-A105 WeakPolarHBondContact CD2-O 3.4Å; I14-A105 HydrophobicContact CD1-CB 4.22Å; I14-A105 PolarHBondContact N-O 2.84Å; G15-A105 PolarHBondContact O-N 3.42Å; F17-A105 HydrophobicContact CE1-CB 4.41Å; L35-A105 HydrophobicContact CD2-CB 3.73Å; A88-A105 HydrophobicContact CB-CB 4.34Å |
| 106 | F | 95.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 150.1 | -171.7 | -50.1 | -91.6 | 0 | 0 | 0 | 110.7 | A11 D12 Y13 I47 L49 V58 M68 Q86 F87 F89 H104 | A11-F106 HydrophobicContact CB-CB 4.18Å; D12-F106 CarbonylContact O-C 3.6Å; D12-F106 VanDerWaalsContact O-CA 3.26Å; D12-F106 WeakPolarHBondContact O-CA 3.46Å; Y13-F106 AromaticContact CD2-CD1 3.86Å; Y13-F106 HydrophobicContact CD2-CD1 3.86Å; Y13-F106 AromaticContact CD2-CE1 3.48Å; Y13-F106 HydrophobicContact CD2-CE1 3.48Å; Y13-F106 VanDerWaalsContact CD2-CE1 3.48Å; Y13-F106 HydrophobicContact CD2-CZ 4.03Å; Y13-F106 HydrophobicContact CE2-CE1 4.34Å; Y13-F106 HydrophobicContact CE2-CZ 4.5Å; Y13-F106 HydrophobicContact CG-CD1 4.39Å; Y13-F106 HydrophobicContact CG-CE1 4.15Å; I47-F106 HydrophobicContact CD1-CD1 3.93Å; I47-F106 HydrophobicContact CD1-CE1 4.07Å; I47-F106 HydrophobicContact CG1-CD1 4.22Å; I47-F106 HydrophobicContact CG1-CE1 4.29Å; L49-F106 HydrophobicContact CD2-CD1 4.21Å; L49-F106 HydrophobicContact CD2-CE1 3.73Å; L49-F106 HydrophobicContact CD2-CE2 4.45Å; L49-F106 HydrophobicContact CD2-CZ 3.88Å; V58-F106 HydrophobicContact CG1-CE1 4.11Å; V58-F106 HydrophobicContact CG2-CE1 4.19Å; V58-F106 HydrophobicContact CG2-CZ 4.02Å; M68-F106 HydrophobicContact CE-CZ 4.14Å; Q86-F106 WeakPolarHBondContact CA-O 3.2Å; F87-F106 HydrophobicContact CD1-CD2 4.02Å; F87-F106 HydrophobicContact CE1-CD2 4.44Å; F87-F106 PolarHBondContact N-O 3.38Å; F87-F106 PolarHBondContact O-N 2.85Å; F89-F106 AromaticContact CD1-CE2 3.83Å; F89-F106 HydrophobicContact CD1-CE2 3.83Å; F89-F106 AromaticContact CE1-CE2 3.5Å; F89-F106 HydrophobicContact CE1-CE2 3.5Å; F89-F106 AromaticContact CE1-CZ 3.78Å; F89-F106 HydrophobicContact CE1-CZ 3.78Å; F89-F106 HydrophobicContact CZ-CE2 4.4Å; F89-F106 HydrophobicContact CZ-CZ 4.4Å; H104-F106 HydrophobicContact CB-CE2 3.83Å; H104-F106 HydrophobicContact CB-CZ 3.97Å; H104-F106 WeakPolarHBondContact O-CE2 3.38Å |
| 107 | V | 94.5 | Very high | 89 | Confident | 45 Ų | 45 | 45 Ų | 45 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 146.3 | 166.4 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | A11 D12 I14 L85 | A11-V107 WeakPolarHBondContact CA-O 3.47Å; D12-V107 HydrophobicContact CB-CB 4.02Å; D12-V107 PolarHBondContact N-O 2.98Å; D12-V107 PolarHBondContact O-N 3.49Å; I14-V107 HydrophobicContact CD1-CG2 3.66Å; I14-V107 HydrophobicContact CG1-CG2 3.75Å; L85-V107 HydrophobicContact CB-CG1 4.03Å; L85-V107 CarbonylContact O-C 3.43Å; L85-V107 VanDerWaalsContact O-CA 3.26Å; L85-V107 WeakPolarHBondContact O-CA 3.39Å |
| 108 | T | 95.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | trans | -109.2 | 165.8 | 171.9 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | L85 T110 A113 A114 L117 | L85-T108 PolarHBondContact O-N 3.18Å; L85-T108 PolarHBondContact O-OG1 2.69Å; T108-T110 PolarHBondContact OG1-O 2.81Å; T108-A113 HydrophobicContact CG2-CB 4.29Å; T108-A114 HydrophobicContact CG2-CB 3.99Å; T108-L117 HydrophobicContact CG2-CD1 3.68Å | ||
| 109 | V | 94.2 | Very high | 91.6 | Very high | 124 Ų | 124 | 37.8 Ų | 37.8 | 75% | 0.752 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -75.6 | -29.5 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 110 | T | 96.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 34 Ų | 34 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -140.7 | 157.8 | -176.7 | 87.6 | 0 | 0 | 0 | 0 | 110.5 | L85 T108 E112 A113 | L85-T110 VanDerWaalsContact CD2-C 3.41Å; T108-T110 PolarHBondContact OG1-O 2.81Å; T110-E112 VanDerWaalsContact C-N 3.32Å; T110-E112 WeakPolarHBondContact CB-OE2 3.45Å; T110-E112 PolarHBondContact O-N 2.93Å; T110-E112 PolarHBondContact OG1-OE2 3.1Å; T110-A113 PolarHBondContact O-N 3.34Å; T110-A113 PolarHBondContact OG1-N 3.32Å |
| 111 | P | 96.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 179 | 24.6 | -32.8 | 0 | 0 | 0 | 111.8 | P82 L85 A113 A114 E115 | P82-P111 HydrophobicContact CB-CB 3.77Å; P82-P111 WeakPolarHBondContact O-CB 3.29Å; L85-P111 HydrophobicContact CD2-CB 4.31Å; L85-P111 VanDerWaalsContact CD2-N 3.34Å; P111-A113 PolarHBondContact O-N 2.85Å; P111-A114 WeakPolarHBondContact O-CB 3.43Å; P111-A114 PolarHBondContact O-N 2.88Å; P111-E115 PolarHBondContact O-N 3.31Å; P111-E115 VanDerWaalsContact O-N 3.11Å |
| 112 | E | 97.3 | Very high | 93.8 | Very high | 116 Ų | 116 | 31.9 Ų | 31.9 | 54% | 0.542 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 178.7 | -50.2 | 78.7 | -172.8 | 0 | 0 | 111.1 | T110 A114 E115 E116 | T110-E112 VanDerWaalsContact C-N 3.32Å; T110-E112 WeakPolarHBondContact CB-OE2 3.45Å; T110-E112 PolarHBondContact O-N 2.93Å; T110-E112 PolarHBondContact OG1-OE2 3.1Å; E112-A114 VanDerWaalsContact C-N 3.32Å; E112-A114 PolarHBondContact O-N 3.07Å; E112-E115 PolarHBondContact O-N 2.82Å; E112-E116 VanDerWaalsContact O-CB 3.23Å; E112-E116 WeakPolarHBondContact O-CB 3.16Å; E112-E116 PolarHBondContact O-N 3.03Å |
| 113 | A | 96.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 21% | 0.207 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -27.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T108 T110 P111 L117 | T108-A113 HydrophobicContact CG2-CB 4.29Å; T110-A113 PolarHBondContact O-N 3.34Å; T110-A113 PolarHBondContact OG1-N 3.32Å; P111-A113 PolarHBondContact O-N 2.85Å; A113-L117 WeakPolarHBondContact O-CB 3.32Å; A113-L117 VanDerWaalsContact O-CG 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.28Å; A113-L117 PolarHBondContact O-N 3.34Å; A113-L117 VanDerWaalsContact O-N 3.11Å |
| 114 | A | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.5 | -36.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C80 T108 P111 E112 N118 | C80-A114 HydrophobicContact CB-CB 4.25Å; C80-A114 WeakPolarHBondContact CB-O 3.31Å; T108-A114 HydrophobicContact CG2-CB 3.99Å; P111-A114 WeakPolarHBondContact O-CB 3.43Å; P111-A114 PolarHBondContact O-N 2.88Å; E112-A114 VanDerWaalsContact C-N 3.32Å; E112-A114 PolarHBondContact O-N 3.07Å; A114-N118 PolarHBondContact O-N 2.84Å |
| 115 | E | 94.6 | Very high | 93 | Very high | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.308 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.8 | -45.9 | 171.7 | -64.3 | -176.3 | 164.8 | 0 | 0 | 111.3 | P82 P111 E112 L117 N118 T119 L721 | P82-E115 HydrophobicContact CB-CG 4.02Å; P82-E115 HydrophobicContact CG-CG 3.45Å; P82-E115 VanDerWaalsContact CG-CG 3.45Å; P82-E115 WeakPolarHBondContact CG-OE1 3.39Å; P111-E115 PolarHBondContact O-N 3.31Å; P111-E115 VanDerWaalsContact O-N 3.11Å; E112-E115 PolarHBondContact O-N 2.82Å; E115-L117 PolarHBondContact O-N 2.93Å; E115-N118 PolarHBondContact O-N 3.48Å; E115-N118 VanDerWaalsContact O-N 3.17Å; E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 PolarHBondContact O-N 3.35Å; E115-T119 PolarHBondContact O-OG1 2.92Å; E115-L721 HydrophobicContact CB-CD2 4.26Å |
| 116 | E | 95 | Very high | 92.5 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.3 | -172.7 | -172.7 | -144.8 | 0 | 0 | 111.6 | R9 E112 N118 T119 I120 | R9-E116 IonicContact CZ-OE1 2.92Å; R9-E116 IonicContact CZ-OE2 3.02Å; R9-E116 IonicContact NE-OE1 3.74Å; R9-E116 IonicContact NE-OE2 3.37Å; R9-E116 PolarHBondContact NE-OE2 3.25Å; R9-E116 IonicContact NH1-OE1 2.96Å; R9-E116 PolarHBondContact NH1-OE1 3.22Å; R9-E116 IonicContact NH1-OE2 2.65Å; R9-E116 PolarHBondContact NH1-OE2 3.07Å; R9-E116 IonicContact NH2-OE1 2.69Å; R9-E116 PolarHBondContact NH2-OE1 3.07Å; R9-E116 IonicContact NH2-OE2 3.67Å; E112-E116 VanDerWaalsContact O-CB 3.23Å; E112-E116 WeakPolarHBondContact O-CB 3.16Å; E112-E116 PolarHBondContact O-N 3.03Å; E116-N118 VanDerWaalsContact C-N 3.31Å; E116-N118 PolarHBondContact O-N 3.36Å; E116-T119 WeakPolarHBondContact O-CB 3.37Å; E116-T119 PolarHBondContact O-N 3.46Å; E116-T119 VanDerWaalsContact O-N 3.15Å; E116-I120 HydrophobicContact CG-CD1 3.79Å; E116-I120 HydrophobicContact CG-CG1 4.37Å; E116-I120 VanDerWaalsContact O-CG1 3.28Å; E116-I120 WeakPolarHBondContact O-CG1 3.39Å; E116-I120 PolarHBondContact O-N 3.24Å |
| 117 | L | 95.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | 174.7 | -82.3 | 172.5 | 0 | 0 | 0 | 112.7 | R9 L49 I51 F87 T108 A113 E115 T119 M121 | R9-L117 HydrophobicContact CB-CD2 3.73Å; R9-L117 HydrophobicContact CB-CG 4.47Å; R9-L117 HydrophobicContact CG-CD2 3.94Å; L49-L117 HydrophobicContact CD1-CD1 3.93Å; L49-L117 HydrophobicContact CD1-CD2 3.7Å; L49-L117 HydrophobicContact CD1-CG 4.5Å; I51-L117 HydrophobicContact CD1-CD2 3.81Å; F87-L117 HydrophobicContact CB-CB 4.48Å; F87-L117 HydrophobicContact CB-CD1 4.09Å; F87-L117 HydrophobicContact CD1-CB 4.1Å; F87-L117 HydrophobicContact CD1-CD1 3.86Å; F87-L117 HydrophobicContact CD1-CG 4.48Å; F87-L117 HydrophobicContact CD2-CB 3.89Å; F87-L117 HydrophobicContact CE1-CB 4.36Å; F87-L117 HydrophobicContact CE2-CB 4.18Å; F87-L117 HydrophobicContact CG-CB 3.86Å; F87-L117 HydrophobicContact CG-CD1 3.99Å; F87-L117 HydrophobicContact CZ-CB 4.42Å; T108-L117 HydrophobicContact CG2-CD1 3.68Å; A113-L117 WeakPolarHBondContact O-CB 3.32Å; A113-L117 VanDerWaalsContact O-CG 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.28Å; A113-L117 PolarHBondContact O-N 3.34Å; A113-L117 VanDerWaalsContact O-N 3.11Å; E115-L117 PolarHBondContact O-N 2.93Å; L117-T119 VanDerWaalsContact C-N 3.34Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.42Å; L117-M121 VanDerWaalsContact O-N 3.13Å |
| 118 | N | 93.3 | Very high | 91 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.1 | -35.5 | 177.5 | -168.8 | 84.3 | 0 | 0 | 0 | 111.8 | T79 C80 F87 A114 E115 E116 G122 A717 | T79-N118 VanDerWaalsContact CA-OD1 3.27Å; T79-N118 WeakPolarHBondContact CA-OD1 3.44Å; T79-N118 PolarHBondContact N-OD1 2.88Å; C80-N118 HydrophobicContact CB-CB 4.02Å; F87-N118 HydrophobicContact CD2-CB 4.33Å; F87-N118 HydrophobicContact CE2-CB 4.28Å; A114-N118 PolarHBondContact O-N 2.84Å; E115-N118 PolarHBondContact O-N 3.48Å; E115-N118 VanDerWaalsContact O-N 3.17Å; E116-N118 VanDerWaalsContact C-N 3.31Å; E116-N118 PolarHBondContact O-N 3.36Å; N118-G122 PolarHBondContact O-N 2.98Å; N118-A717 VanDerWaalsContact ND2-CB 3.34Å; N118-A717 WeakPolarHBondContact ND2-CB 3.47Å |
| 119 | T | 91.4 | Very high | 89.9 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -52.1 | 176.4 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | E115 E116 L117 M121 G122 E123 L721 | E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 PolarHBondContact O-N 3.35Å; E115-T119 PolarHBondContact O-OG1 2.92Å; E116-T119 WeakPolarHBondContact O-CB 3.37Å; E116-T119 PolarHBondContact O-N 3.46Å; E116-T119 VanDerWaalsContact O-N 3.15Å; L117-T119 VanDerWaalsContact C-N 3.34Å; T119-M121 VanDerWaalsContact C-N 3.26Å; T119-M121 PolarHBondContact O-N 3.3Å; T119-G122 WeakPolarHBondContact O-CA 3.42Å; T119-G122 PolarHBondContact O-N 2.95Å; T119-E123 PolarHBondContact O-N 3.4Å; T119-L721 HydrophobicContact CG2-CD1 3.94Å |
| 120 | I | 92.5 | Very high | 88.9 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -42.6 | 177.2 | -67.7 | 160.7 | 0 | 0 | 0 | 110.5 | I7 R9 I51 E116 E123 V124 | I7-I120 HydrophobicContact CB-CG2 4.45Å; I7-I120 HydrophobicContact CD1-CG1 4.38Å; I7-I120 HydrophobicContact CD1-CG2 3.68Å; I7-I120 HydrophobicContact CG2-CD1 3.88Å; R9-I120 HydrophobicContact CG-CD1 4.19Å; I51-I120 HydrophobicContact CB-CG2 4.12Å; I51-I120 HydrophobicContact CD1-CB 4.46Å; I51-I120 HydrophobicContact CD1-CG2 3.9Å; I51-I120 HydrophobicContact CG2-CG2 3.92Å; E116-I120 HydrophobicContact CG-CD1 3.79Å; E116-I120 HydrophobicContact CG-CG1 4.37Å; E116-I120 VanDerWaalsContact O-CG1 3.28Å; E116-I120 WeakPolarHBondContact O-CG1 3.39Å; E116-I120 PolarHBondContact O-N 3.24Å; I120-E123 PolarHBondContact O-N 2.68Å; I120-V124 HydrophobicContact CG2-CG2 4.31Å; I120-V124 VanDerWaalsContact O-CB 3.26Å; I120-V124 WeakPolarHBondContact O-CB 3.49Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 2.96Å |
| 121 | M | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 174.7 | -77 | -60.7 | -55.3 | 0 | 0 | 112.3 | I51 V56 L72 I75 A78 F87 L117 T119 V124 F125 | I51-M121 HydrophobicContact CD1-CG 4.28Å; I51-M121 HydrophobicContact CD1-SD 4.12Å; I51-M121 HydrophobicContact CG1-SD 4.39Å; I51-M121 HydrophobicContact CG2-SD 3.68Å; V56-M121 HydrophobicContact CG2-CE 3.97Å; V56-M121 HydrophobicContact CG2-SD 3.51Å; V56-M121 VanDerWaalsContact CG2-SD 3.51Å; L72-M121 HydrophobicContact CD2-CE 4.45Å; I75-M121 HydrophobicContact CD1-CE 4.12Å; I75-M121 HydrophobicContact CG2-CE 4.29Å; A78-M121 HydrophobicContact CB-CB 4.3Å; F87-M121 HydrophobicContact CE2-CG 4.47Å; F87-M121 HydrophobicContact CZ-CG 3.9Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.42Å; L117-M121 VanDerWaalsContact O-N 3.13Å; T119-M121 VanDerWaalsContact C-N 3.26Å; T119-M121 PolarHBondContact O-N 3.3Å; M121-V124 PolarHBondContact O-N 2.74Å; M121-F125 HydrophobicContact CB-CE2 4.46Å; M121-F125 HydrophobicContact CE-CD2 4.41Å; M121-F125 HydrophobicContact CE-CE1 4.05Å; M121-F125 HydrophobicContact CE-CE2 3.7Å; M121-F125 HydrophobicContact CE-CZ 3.49Å; M121-F125 VanDerWaalsContact CE-CZ 3.49Å; M121-F125 VanDerWaalsContact O-CB 3.29Å; M121-F125 WeakPolarHBondContact O-CB 3.49Å; M121-F125 WeakPolarHBondContact O-CD2 3.27Å; M121-F125 VanDerWaalsContact O-CG 3.24Å; M121-F125 WeakPolarHBondContact O-CG 3.35Å; M121-F125 PolarHBondContact O-N 3.01Å |
| 122 | G | 86.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N118 T119 F125 R126 | N118-G122 PolarHBondContact O-N 2.98Å; T119-G122 WeakPolarHBondContact O-CA 3.42Å; T119-G122 PolarHBondContact O-N 2.95Å; G122-F125 WeakPolarHBondContact O-CB 3.08Å; G122-F125 PolarHBondContact O-N 3.1Å; G122-R126 WeakPolarHBondContact O-CB 3.37Å; G122-R126 PolarHBondContact O-N 3.24Å |
| 123 | E | 84.7 | Confident | 84.8 | Confident | 96 Ų | 96 | 41.8 Ų | 41.8 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.3 | -68.1 | -171.3 | 140.7 | 0 | 0 | 112.3 | T119 I120 F125 R126 L127 | T119-E123 PolarHBondContact O-N 3.4Å; I120-E123 PolarHBondContact O-N 2.68Å; E123-F125 VanDerWaalsContact C-N 3.29Å; E123-F125 PolarHBondContact O-N 3.17Å; E123-R126 WeakPolarHBondContact O-CB 3.49Å; E123-R126 PolarHBondContact O-N 2.78Å; E123-R126 VanDerWaalsContact O-N 3.15Å; E123-L127 WeakPolarHBondContact O-CB 3.23Å; E123-L127 VanDerWaalsContact O-CG 3.29Å; E123-L127 WeakPolarHBondContact O-CG 3.1Å; E123-L127 PolarHBondContact O-N 2.92Å |
| 124 | V | 87.5 | Confident | 83.2 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -33.4 | -179.7 | 167 | 0 | 0 | 0 | 0 | 111.4 | I51 S52 L72 I120 M121 A128 | I51-V124 HydrophobicContact CG2-CB 4.43Å; I51-V124 HydrophobicContact CG2-CG1 4.31Å; I51-V124 HydrophobicContact CG2-CG2 4.2Å; S52-V124 WeakPolarHBondContact O-CG1 3.34Å; L72-V124 HydrophobicContact CD1-CG1 3.53Å; L72-V124 HydrophobicContact CD2-CG1 3.84Å; L72-V124 HydrophobicContact CG-CG1 4.28Å; I120-V124 HydrophobicContact CG2-CG2 4.31Å; I120-V124 VanDerWaalsContact O-CB 3.26Å; I120-V124 WeakPolarHBondContact O-CB 3.49Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 2.96Å; M121-V124 PolarHBondContact O-N 2.74Å; V124-A128 VanDerWaalsContact O-CB 3.3Å; V124-A128 WeakPolarHBondContact O-CB 3.45Å; V124-A128 PolarHBondContact O-N 3.35Å |
| 125 | F | 86.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 168.2 | -79.6 | -37.5 | 0 | 0 | 0 | 112.7 | L72 I75 A78 M121 G122 E123 L127 A128 Y129 Y706 S710 | L72-F125 HydrophobicContact CD2-CD1 4.47Å; L72-F125 HydrophobicContact CD2-CE1 4.3Å; I75-F125 HydrophobicContact CB-CE1 4.19Å; I75-F125 HydrophobicContact CB-CZ 3.93Å; I75-F125 HydrophobicContact CG2-CZ 3.78Å; A78-F125 HydrophobicContact CB-CE2 4.39Å; M121-F125 HydrophobicContact CB-CE2 4.46Å; M121-F125 HydrophobicContact CE-CD2 4.41Å; M121-F125 HydrophobicContact CE-CE1 4.05Å; M121-F125 HydrophobicContact CE-CE2 3.7Å; M121-F125 HydrophobicContact CE-CZ 3.49Å; M121-F125 VanDerWaalsContact CE-CZ 3.49Å; M121-F125 VanDerWaalsContact O-CB 3.29Å; M121-F125 WeakPolarHBondContact O-CB 3.49Å; M121-F125 WeakPolarHBondContact O-CD2 3.27Å; M121-F125 VanDerWaalsContact O-CG 3.24Å; M121-F125 WeakPolarHBondContact O-CG 3.35Å; M121-F125 PolarHBondContact O-N 3.01Å; G122-F125 WeakPolarHBondContact O-CB 3.08Å; G122-F125 PolarHBondContact O-N 3.1Å; E123-F125 VanDerWaalsContact C-N 3.29Å; E123-F125 PolarHBondContact O-N 3.17Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 PolarHBondContact O-N 3.45Å; F125-A128 PolarHBondContact O-N 2.64Å; F125-Y129 PolarHBondContact O-N 3.04Å; F125-Y129 VanDerWaalsContact O-N 3.1Å; F125-Y706 WeakPolarHBondContact CE1-OH 3.42Å; F125-S710 WeakPolarHBondContact CB-OG 3.45Å; F125-S710 PolarHBondContact O-OG 3.29Å |
| 126 | R | 82.9 | Confident | 79.5 | Confident | 103 Ų | 103 | 50 Ų | 50 | 39% | 0.389 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 177.7 | -161.8 | -172.1 | -62.5 | 170.2 | 3.9 | 111.6 | G122 E123 A130 S714 D718 | G122-R126 WeakPolarHBondContact O-CB 3.37Å; G122-R126 PolarHBondContact O-N 3.24Å; E123-R126 WeakPolarHBondContact O-CB 3.49Å; E123-R126 PolarHBondContact O-N 2.78Å; E123-R126 VanDerWaalsContact O-N 3.15Å; R126-A130 PolarHBondContact O-N 3.29Å; R126-S714 PolarHBondContact NE-OG 2.96Å; R126-S714 PolarHBondContact NH2-OG 2.69Å; R126-D718 IonicContact CZ-OD2 3.12Å; R126-D718 VanDerWaalsContact NH2-CG 3.27Å; R126-D718 IonicContact NH2-OD1 3.34Å; R126-D718 PolarHBondContact NH2-OD1 2.83Å; R126-D718 VanDerWaalsContact NH2-OD1 3.12Å; R126-D718 IonicContact NH2-OD2 3.42Å; R126-D718 PolarHBondContact NH2-OD2 3.29Å |
| 127 | L | 80.6 | Confident | 77 | Confident | 75 Ų | 75 | 51 Ų | 51 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 178 | -71.1 | 165.2 | 0 | 0 | 0 | 112.9 | L4 L53 E123 F125 Y129 A130 Q131 | L4-L127 HydrophobicContact CD1-CD1 3.75Å; L53-L127 HydrophobicContact CD2-CB 3.83Å; E123-L127 WeakPolarHBondContact O-CB 3.23Å; E123-L127 VanDerWaalsContact O-CG 3.29Å; E123-L127 WeakPolarHBondContact O-CG 3.1Å; E123-L127 PolarHBondContact O-N 2.92Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 PolarHBondContact O-N 3.45Å; L127-Y129 VanDerWaalsContact C-N 3.3Å; L127-Y129 PolarHBondContact O-N 3.38Å; L127-A130 PolarHBondContact O-N 3.06Å; L127-Q131 WeakPolarHBondContact O-CG 3.35Å; L127-Q131 PolarHBondContact O-N 2.91Å |
| 128 | A | 78.8 | Confident | 74.5 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 L72 V124 F125 Q132 | L53-A128 HydrophobicContact CD2-CB 4.27Å; L72-A128 HydrophobicContact CD1-CB 3.71Å; V124-A128 VanDerWaalsContact O-CB 3.3Å; V124-A128 WeakPolarHBondContact O-CB 3.45Å; V124-A128 PolarHBondContact O-N 3.35Å; F125-A128 PolarHBondContact O-N 2.64Å; A128-Q132 PolarHBondContact O-N 3.04Å |
| 129 | Y | 72 | Confident | 71.8 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 172.1 | 174.9 | -150.6 | 0 | 0 | 0 | 112.7 | F125 L127 Q131 Q132 R133 Q707 D711 | F125-Y129 PolarHBondContact O-N 3.04Å; F125-Y129 VanDerWaalsContact O-N 3.1Å; L127-Y129 VanDerWaalsContact C-N 3.3Å; L127-Y129 PolarHBondContact O-N 3.38Å; Y129-Q131 PolarHBondContact O-N 3.06Å; Y129-Q132 CarbonylContact O-C 3.59Å; Y129-Q132 WeakPolarHBondContact O-CA 3.12Å; Y129-Q132 WeakPolarHBondContact O-CB 3.13Å; Y129-Q132 PolarHBondContact O-N 3.22Å; Y129-R133 HydrophobicContact CD2-CG 3.76Å; Y129-R133 VanDerWaalsContact CE2-CD 3.47Å; Y129-R133 HydrophobicContact CE2-CG 3.38Å; Y129-R133 PolarHBondContact O-N 3.38Å; Y129-Q707 HydrophobicContact CD1-CG 4.46Å; Y129-Q707 HydrophobicContact CD2-CG 3.72Å; Y129-Q707 HydrophobicContact CE1-CG 4.19Å; Y129-Q707 HydrophobicContact CE2-CG 3.37Å; Y129-Q707 HydrophobicContact CG-CG 4.22Å; Y129-Q707 VanDerWaalsContact CG-OE1 3.24Å; Y129-D711 VanDerWaalsContact CD1-OD1 3.31Å; Y129-D711 WeakPolarHBondContact CD1-OD1 3.41Å; Y129-D711 WeakPolarHBondContact CE1-OD2 3.44Å |
| 130 | A | 73.9 | Confident | 69.1 | Low | 48 Ų | 48 | 64.4 Ų | 64.4 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R126 L127 R133 L134 | R126-A130 PolarHBondContact O-N 3.29Å; L127-A130 PolarHBondContact O-N 3.06Å; A130-R133 PolarHBondContact O-N 2.91Å; A130-L134 WeakPolarHBondContact O-CG 3.28Å; A130-L134 PolarHBondContact O-N 3.29Å |
| 131 | Q | 71.1 | Confident | 66.1 | Low | 56 Ų | 56 | 69.4 Ų | 69.4 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 173 | -69.7 | -176.6 | -7.3 | 0 | 0 | 112.8 | M1 L127 Y129 L134 N135 | M1-Q131 HydrophobicContact CE-CG 4.36Å; M1-Q131 HydrophobicContact SD-CG 4.2Å; L127-Q131 WeakPolarHBondContact O-CG 3.35Å; L127-Q131 PolarHBondContact O-N 2.91Å; Y129-Q131 PolarHBondContact O-N 3.06Å; Q131-L134 PolarHBondContact O-N 3.31Å; Q131-N135 WeakPolarHBondContact O-CB 3.39Å; Q131-N135 PolarHBondContact O-N 2.74Å; Q131-N135 PolarHBondContact O-ND2 3.11Å |
| 132 | Q | 71.7 | Confident | 63.5 | Low | 62 Ų | 62 | 75.7 Ų | 75.7 | 29% | 0.29 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.2 | -175.9 | 163 | -48.7 | 0 | 0 | 112.2 | A128 Y129 N135 T136 | A128-Q132 PolarHBondContact O-N 3.04Å; Y129-Q132 CarbonylContact O-C 3.59Å; Y129-Q132 WeakPolarHBondContact O-CA 3.12Å; Y129-Q132 WeakPolarHBondContact O-CB 3.13Å; Y129-Q132 PolarHBondContact O-N 3.22Å; Q132-N135 PolarHBondContact O-N 2.73Å; Q132-T136 PolarHBondContact O-N 3.37Å; Q132-T136 PolarHBondContact O-OG1 3.1Å |
| 133 | R | 61.4 | Low | 61 | Low | 142 Ų | 142 | 82.9 Ų | 82.9 | 54% | 0.536 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 174.4 | -75.4 | -171.4 | 66.7 | 177.9 | -3.7 | 112 | Y129 A130 N135 T136 V137 | Y129-R133 HydrophobicContact CD2-CG 3.76Å; Y129-R133 VanDerWaalsContact CE2-CD 3.47Å; Y129-R133 HydrophobicContact CE2-CG 3.38Å; Y129-R133 PolarHBondContact O-N 3.38Å; A130-R133 PolarHBondContact O-N 2.91Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.44Å; R133-T136 WeakPolarHBondContact O-CB 3.48Å; R133-T136 PolarHBondContact O-N 3.02Å; R133-V137 PolarHBondContact O-N 3.17Å; R133-V137 VanDerWaalsContact O-N 3.17Å |
| 134 | L | 63 | Low | 58.5 | Low | 105 Ų | 105 | 87.4 Ų | 87.4 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 178.2 | -71.6 | 168.7 | 0 | 0 | 0 | 111.4 | A130 Q131 T136 V137 T138 | A130-L134 WeakPolarHBondContact O-CG 3.28Å; A130-L134 PolarHBondContact O-N 3.29Å; Q131-L134 PolarHBondContact O-N 3.31Å; L134-T136 PolarHBondContact O-N 3.47Å; L134-V137 PolarHBondContact O-N 3.3Å; L134-V137 VanDerWaalsContact O-N 3.1Å; L134-T138 PolarHBondContact O-N 3.23Å; L134-T138 PolarHBondContact O-OG1 2.68Å |
| 135 | N | 57.1 | Low | 55.6 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 40% | 0.401 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -24.8 | 175.5 | -70.5 | -25 | 0 | 0 | 0 | 113.5 | Q131 Q132 R133 T138 N139 | Q131-N135 WeakPolarHBondContact O-CB 3.39Å; Q131-N135 PolarHBondContact O-N 2.74Å; Q131-N135 PolarHBondContact O-ND2 3.11Å; Q132-N135 PolarHBondContact O-N 2.73Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.44Å; N135-T138 WeakPolarHBondContact CA-OG1 3.18Å; N135-N139 PolarHBondContact O-N 3Å; N135-N139 PolarHBondContact O-ND2 2.94Å |
| 136 | T | 53.3 | Low | 52.8 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77 | -26.3 | 174.8 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | Q132 R133 L134 N140 | Q132-T136 PolarHBondContact O-N 3.37Å; Q132-T136 PolarHBondContact O-OG1 3.1Å; R133-T136 WeakPolarHBondContact O-CB 3.48Å; R133-T136 PolarHBondContact O-N 3.02Å; L134-T136 PolarHBondContact O-N 3.47Å; T136-N140 PolarHBondContact O-ND2 2.99Å; T136-N140 VanDerWaalsContact O-ND2 3.16Å |
| 137 | V | 43.9 | Very low | 50.2 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 54% | 0.539 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -80.3 | -45.2 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | R133 L134 N139 N140 | R133-V137 PolarHBondContact O-N 3.17Å; R133-V137 VanDerWaalsContact O-N 3.17Å; L134-V137 PolarHBondContact O-N 3.3Å; L134-V137 VanDerWaalsContact O-N 3.1Å; V137-N139 VanDerWaalsContact C-N 3.33Å; V137-N139 PolarHBondContact O-N 3.4Å; V137-N140 PolarHBondContact O-N 3.28Å |
| 138 | T | 42.6 | Very low | 47.7 | Very low | 104 Ų | 104 | 109.2 Ų | 109.2 | 64% | 0.638 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72 | -20.2 | -174.8 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | L134 N135 | L134-T138 PolarHBondContact O-N 3.23Å; L134-T138 PolarHBondContact O-OG1 2.68Å; N135-T138 WeakPolarHBondContact CA-OG1 3.18Å |
| 139 | N | 36.4 | Very low | 45.3 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 7.9 | 178.8 | -75.1 | -75.3 | 0 | 0 | 0 | 114.4 | N135 V137 P141 | N135-N139 PolarHBondContact O-N 3Å; N135-N139 PolarHBondContact O-ND2 2.94Å; V137-N139 VanDerWaalsContact C-N 3.33Å; V137-N139 PolarHBondContact O-N 3.4Å; N139-P141 WeakPolarHBondContact O-CD 3.11Å |
| 140 | N | 33.5 | Very low | 43.2 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 48% | 0.481 | 65% | 0.646 | S | S | . | * | trans | -106.1 | 101.8 | 171 | -80.6 | -57.7 | 0 | 0 | 0 | 110.4 | T136 V137 V142 | T136-N140 PolarHBondContact O-ND2 2.99Å; T136-N140 VanDerWaalsContact O-ND2 3.16Å; V137-N140 PolarHBondContact O-N 3.28Å; N140-V142 PolarHBondContact O-N 3.05Å | ||
| 141 | P | 31.2 | Very low | 41.2 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | trans | -76.7 | 24.1 | -173.4 | 32.8 | -37.3 | 0 | 0 | 0 | 114.6 | N139 | N139-P141 WeakPolarHBondContact O-CD 3.11Š| ||
| 142 | V | 34.1 | Very low | 39.1 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -115.4 | 25.8 | -172.8 | -156.4 | 0 | 0 | 0 | 0 | 112 | N140 | N140-V142 PolarHBondContact O-N 3.05Š|
| 143 | L | 34.5 | Very low | 37 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -137.4 | 33.1 | 173 | -153.6 | 95.9 | 0 | 0 | 0 | 113.4 | ||
| 144 | F | 32 | Very low | 35.4 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -127.3 | 24.7 | -179 | -108.9 | -74.3 | 0 | 0 | 0 | 114.3 | ||
| 145 | H | 27.8 | Very low | 33.7 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -136.3 | 22.3 | -174.9 | -89 | 105.2 | 0 | 0 | 0 | 116.1 | ||
| 146 | Q | 26.8 | Very low | 32.5 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -146.4 | 23.2 | 173.7 | -141.2 | 168 | 7.5 | 0 | 0 | 118.5 | ||
| 147 | F | 28.5 | Very low | 31.3 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 96% | 0.956 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 69.1 | 163 | -80 | -71.4 | 0 | 0 | 0 | 111.7 | ||||
| 148 | G | 28.3 | Very low | 30.5 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -77.5 | 143.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 149 | Q | 29.1 | Very low | 29.7 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 82.5 | 102.9 | 176.2 | -48.4 | -170 | 22.6 | 0 | 0 | 117.6 | ||
| 150 | H | 26.4 | Very low | 29.3 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 79.2 | 66.8 | 130.8 | -153.8 | -73.5 | 0 | 0 | 0 | 120.5 | ||||
| 151 | I | 32.8 | Very low | 29.1 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -128.5 | 134.8 | 151.2 | -61 | -178.1 | 0 | 0 | 0 | 107.8 | ||||
| 152 | P | 26.7 | Very low | 28.9 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | trans | -77.2 | 153.1 | -170 | 30.5 | -36.5 | 0 | 0 | 0 | 114.1 | C154 | P152-C154 PolarHBondContact O-N 3.43Š| ||
| 153 | V | 28.2 | Very low | 28.5 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -73.8 | 106.3 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | Q155 | V153-Q155 PolarHBondContact O-N 2.77Š| ||
| 154 | C | 26.8 | Very low | 28 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -65 | 112.5 | 162.4 | -69.4 | 0 | 0 | 0 | 0 | 109.1 | P152 V156 | P152-C154 PolarHBondContact O-N 3.43Å; C154-V156 PolarHBondContact O-N 3.21Å | ||
| 155 | Q | 27.9 | Very low | 27.7 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 120.3 | 172.9 | -67.2 | 177.7 | -95.2 | 0 | 0 | 109.4 | V153 Q157 | V153-Q155 PolarHBondContact O-N 2.77Å; Q155-Q157 PolarHBondContact O-N 3.05Å | ||
| 156 | V | 32.3 | Very low | 27.6 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -71 | 100.4 | 167.9 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | C154 Q158 | C154-V156 PolarHBondContact O-N 3.21Å; V156-Q158 PolarHBondContact O-N 3.31Å; V156-Q158 VanDerWaalsContact O-N 3.17Å | ||
| 157 | Q | 27.5 | Very low | 27.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -58.9 | 115.7 | 173 | -175 | 72.1 | 17.2 | 0 | 0 | 108.8 | Q155 T159 | Q155-Q157 PolarHBondContact O-N 3.05Å; Q157-T159 PolarHBondContact O-N 3.19Å | ||
| 158 | Q | 27 | Very low | 27.6 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -67.2 | 104.6 | 176.6 | -74.5 | 178.5 | -50.4 | 0 | 0 | 110.4 | V156 | V156-Q158 PolarHBondContact O-N 3.31Å; V156-Q158 VanDerWaalsContact O-N 3.17Å | ||
| 159 | T | 25.5 | Very low | 27.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -96.9 | 111.5 | 160.8 | 44.2 | 0 | 0 | 0 | 0 | 108.5 | Q157 I161 | Q157-T159 PolarHBondContact O-N 3.19Å; T159-I161 PolarHBondContact O-N 2.87Å | ||
| 160 | P | 27.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -66.5 | 126.2 | 175 | 26.6 | -32.4 | 0 | 0 | 0 | 109.6 | T162 | P160-T162 PolarHBondContact O-N 2.67Š| ||
| 161 | I | 29.9 | Very low | 28 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -76.6 | 92.6 | 177.3 | -57.4 | 176.7 | 0 | 0 | 0 | 108.2 | T159 V163 | T159-I161 PolarHBondContact O-N 2.87Å; I161-V163 PolarHBondContact O-N 2.82Å | ||
| 162 | T | 26.2 | Very low | 28.1 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -69.1 | 93.3 | 175.2 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | P160 T164 | P160-T162 PolarHBondContact O-N 2.67Å; T162-T164 PolarHBondContact O-N 2.76Å; T162-T164 PolarHBondContact O-OG1 3.28Å | ||
| 163 | V | 25.8 | Very low | 28.6 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -61.1 | 98.9 | 169.8 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | I161 C165 | I161-V163 PolarHBondContact O-N 2.82Å; V163-C165 PolarHBondContact O-N 2.88Å | ||
| 164 | T | 25.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -90.6 | 86.9 | -171 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | T162 S166 | T162-T164 PolarHBondContact O-N 2.76Å; T162-T164 PolarHBondContact O-OG1 3.28Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 3.45Å | ||
| 165 | C | 24.1 | Very low | 28.9 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 84.2 | 175.2 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | V163 V167 | V163-C165 PolarHBondContact O-N 2.88Å; C165-V167 PolarHBondContact O-N 2.77Å | ||
| 166 | S | 26.4 | Very low | 29.1 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 81.7 | 179.4 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | T164 S168 | T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 3.45Å; S166-S168 PolarHBondContact O-N 2.88Å | ||
| 167 | V | 27.3 | Very low | 29 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -72.1 | 97.4 | 170.4 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | C165 A169 | C165-V167 PolarHBondContact O-N 2.77Å; V167-A169 PolarHBondContact O-N 3.34Å | ||
| 168 | S | 27.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -73.5 | 68 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | S166 N170 | S166-S168 PolarHBondContact O-N 2.88Å; S168-N170 PolarHBondContact O-N 2.96Å | ||
| 169 | A | 30.7 | Very low | 29.2 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -67.7 | 112.9 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | V167 | V167-A169 PolarHBondContact O-N 3.34Š| ||
| 170 | N | 32.1 | Very low | 29.7 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -71.3 | 141.4 | -177 | -159 | 5.1 | 0 | 0 | 0 | 111.1 | S168 | S168-N170 PolarHBondContact O-N 2.96Š| ||
| 171 | Q | 30.3 | Very low | 29.8 | Very low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -79 | 148.8 | -171.7 | -61 | 179 | 8.7 | 0 | 0 | 112.4 | ||||
| 172 | N | 34.6 | Very low | 29.7 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -160.9 | 125.2 | 142.7 | -100.5 | -39.6 | 0 | 0 | 0 | 113 | ||||
| 173 | N | 36.7 | Very low | 29.8 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 57 | 105.1 | 159.5 | -82.2 | -8.6 | 0 | 0 | 0 | 122.9 | ||||
| 174 | S | 31.6 | Very low | 29.9 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 64.7 | 129.5 | 115 | 79.8 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 175 | M | 31.1 | Very low | 30 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | cis | 178.5 | 138.7 | 37 | -178.1 | 159.9 | 62 | 0 | 0 | 110.9 | ||||
| 176 | S | 30.2 | Very low | 30 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 57.3 | 145.6 | 154.9 | -63.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 177 | T | 31 | Very low | 30.1 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -165.7 | 170.5 | -5.2 | 21.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | K | 32 | Very low | 30.1 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 78.3 | 94.2 | 166.3 | -58.7 | -174.3 | -177.8 | 178.9 | 0 | 118.6 | ||||
| 179 | S | 27 | Very low | 30.2 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -78.9 | 179.1 | 136.5 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 180 | P | 36.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -133.8 | 168 | 3.2 | 42 | -26.6 | 0 | 0 | 0 | 116.6 | ||||
| 181 | S | 30.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -158.3 | 147.4 | 147.9 | -82.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 182 | Q | 27.4 | Very low | 30.2 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -97.2 | 136.5 | -174 | -66.4 | 169.1 | -22.7 | 0 | 0 | 110.9 | ||||
| 183 | A | 28.4 | Very low | 30 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | -150.4 | 95 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y185 | A183-Y185 HydrophobicContact CB-CE2 4.48Š| ||
| 184 | V | 27.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -94.7 | 109.4 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 185 | Y | 26.9 | Very low | 29.7 | Very low | 218 Ų | 218 | 138 Ų | 138 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -94.3 | 93.5 | 168.9 | -77.2 | -77.4 | 0 | 0 | 0 | 110 | A183 | A183-Y185 HydrophobicContact CB-CE2 4.48Š| ||
| 186 | A | 25.1 | Very low | 29.5 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -91.8 | 117.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 187 | V | 29.3 | Very low | 29.3 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -92.4 | 106.5 | 167.7 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 188 | N | 26.2 | Very low | 29.1 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -96.1 | 124 | 179.5 | -177.9 | 4.7 | 0 | 0 | 0 | 110.1 | ||||
| 189 | L | 29.8 | Very low | 28.9 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -132.7 | 105.9 | 170 | -77.2 | 172.3 | 0 | 0 | 0 | 108.9 | ||||
| 190 | N | 27.9 | Very low | 29 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | trans | -118 | 115.8 | 179.9 | -176.8 | 26 | 0 | 0 | 0 | 110.2 | ||||
| 191 | P | 33.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -97.6 | 108.5 | -178.8 | 34.4 | -29.6 | 0 | 0 | 0 | 112.6 | ||||
| 192 | T | 32 | Very low | 28.4 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -95.2 | 127.3 | 172.3 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 193 | N | 28.9 | Very low | 29.1 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -81.6 | 151.3 | 178.4 | -67.6 | -71.1 | 0 | 0 | 0 | 112.9 | ||||
| 194 | Q | 31.7 | Very low | 29.3 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 177.7 | 138.1 | 111.9 | -95.9 | 176.5 | 81.1 | 0 | 0 | 115.1 | |||||
| 195 | I | 31.6 | Very low | 29.6 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | 40.6 | 108.5 | 128.2 | -54 | 175 | 0 | 0 | 0 | 116.4 | |||||
| 196 | S | 26.6 | Very low | 30.2 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 62.1 | 139 | 83.8 | -76.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 197 | M | 26.7 | Very low | 30.5 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | cis | -157.6 | 158.4 | 9.5 | -102.2 | -107 | -167.3 | 0 | 0 | 112.6 | ||||
| 198 | T | 26.2 | Very low | 30.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 67.7 | 133 | 150.7 | 50.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 199 | S | 28.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | 98.3 | 95 | 135.9 | -71.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 200 | K | 27.7 | Very low | 31.2 | Very low | 189 Ų | 189 | 135 Ų | 135 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | 82.8 | 146.1 | 125.3 | -71.2 | -176.7 | 176.3 | 179.1 | 0 | 121.8 | |||||
| 201 | L | 27.1 | Very low | 31.3 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | 77.1 | 154.7 | 165 | -92.8 | 71.4 | 0 | 0 | 0 | 119.5 | ||||
| 202 | L | 26.9 | Very low | 31.3 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -165.8 | 155.1 | -165.5 | 179.6 | 84.7 | 0 | 0 | 0 | 106.5 | ||||
| 203 | P | 42.2 | Very low | 31.4 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -104.3 | -148.9 | -37.1 | 30.1 | -9.4 | 0 | 0 | 0 | 109.1 | ||||
| 204 | P | 33.4 | Very low | 31.6 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | -142.5 | 174.1 | 77.5 | 38.3 | -20.9 | 0 | 0 | 0 | 115.7 | |||||
| 205 | L | 32.7 | Very low | 31.6 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -103.1 | 162.9 | 168.2 | -80.2 | 164.5 | 0 | 0 | 0 | 110.7 | ||||
| 206 | P | 40.2 | Very low | 31.7 | Very low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -124.1 | 134.1 | 140 | 32.2 | -20 | 0 | 0 | 0 | 113.4 | ||||
| 207 | E | 31.9 | Very low | 32 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | 61.1 | 117.4 | 127.7 | -61.8 | 161.8 | 178.8 | 0 | 0 | 118.8 | |||||
| 208 | A | 29.5 | Very low | 32.6 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | 67.6 | 131.1 | 61.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 209 | D | 34.8 | Very low | 32.8 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -155.6 | 170.7 | 31.7 | -145.5 | 20.8 | 0 | 0 | 0 | 108.4 | ||||
| 210 | N | 35 | Very low | 32.9 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | cis | -163.4 | -165 | -1.3 | -146.6 | -25.5 | 0 | 0 | 0 | 105.9 | ||||
| 211 | C | 30.6 | Very low | 33 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -161.1 | 164.6 | -6 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 212 | A | 33.3 | Very low | 33.1 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 65.6 | 144.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 213 | A | 34.9 | Very low | 33.4 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | cis | -153.2 | -179.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 214 | S | 32.7 | Very low | 33.1 | Very low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | -99.3 | 158.1 | -166.5 | -171.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 215 | N | 31.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | 128.7 | 117 | 135.1 | -68.6 | -45 | 0 | 0 | 0 | 119 | ||||
| 216 | Q | 33.7 | Very low | 33.4 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | 76.9 | 164.1 | 128.2 | -63.2 | 172.3 | 51.1 | 0 | 0 | 121.2 | |||||
| 217 | T | 31.8 | Very low | 33.3 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -135.7 | -176 | -167.1 | 57.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 218 | P | 40.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | cis | -136.4 | -169.9 | -17.4 | 26.9 | -1.8 | 0 | 0 | 0 | 115.1 | ||||
| 219 | V | 30.1 | Very low | 34.6 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 74.8 | 133.9 | 154.4 | -126.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 220 | S | 30 | Very low | 34.6 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | 104.8 | 105.5 | 133.9 | -85.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 221 | V | 30 | Very low | 34.8 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | 93.1 | 125.6 | 111.9 | 164.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 222 | Q | 29 | Very low | 34.9 | Very low | 184 Ų | 184 | 122.8 Ų | 122.8 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | 68 | 159.7 | 152.9 | -84.3 | 162.3 | 5 | 0 | 0 | 120.1 | ||||
| 223 | S | 34.4 | Very low | 34.8 | Very low | 93 Ų | 93 | 126 Ų | 126 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | cis | -141.1 | -172 | -2.6 | 69.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 224 | E | 34.3 | Very low | 34.6 | Very low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | cis | -171.4 | 174.2 | -6.6 | -127.5 | 164.9 | 118.8 | 0 | 0 | 107.8 | ||||
| 225 | V | 38.5 | Very low | 34.4 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | cis | -116.8 | -128.8 | -11.6 | -156.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 226 | N | 34.2 | Very low | 34.5 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | cis | -156.9 | 173.8 | -19.2 | -132.9 | -27.8 | 0 | 0 | 0 | 106 | ||||
| 227 | N | 39.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -152.4 | -160.5 | 5.9 | -154.6 | -30.9 | 0 | 0 | 0 | 109.2 | ||||
| 228 | T | 41.3 | Very low | 34.5 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -149.3 | -175.3 | -162.3 | 11.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 229 | P | 45.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | cis | -136.8 | -170.9 | -13.5 | 30.5 | -7.8 | 0 | 0 | 0 | 116.3 | ||||
| 230 | S | 35.1 | Very low | 34.2 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | 104.5 | 135.6 | 154.7 | -40.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 231 | S | 38.5 | Very low | 34.2 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -162.6 | 134.2 | -10.4 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 232 | E | 33.4 | Very low | 34.1 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 45.3 | 158.3 | 136.2 | -61.5 | -176.4 | 159 | 0 | 0 | 123.2 | ||||
| 233 | F | 32.1 | Very low | 34.3 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | cis | -147.1 | 149.5 | 12.4 | -141.3 | -75 | 0 | 0 | 0 | 112.8 | ||||
| 234 | C | 31 | Very low | 34.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 72% | 0.716 | 76% | 0.764 | S | S | * | * | trans | 12.8 | 148.4 | 172.2 | -71.3 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 235 | A | 26.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -125.8 | 156.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 236 | V | 35 | Very low | 34.5 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -145.9 | 148.4 | 170.8 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | S | 32.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -132 | 161.2 | -175.4 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 238 | D | 31.5 | Very low | 34.3 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | 102.5 | 150.1 | 144.8 | -156.8 | 25.4 | 0 | 0 | 0 | 120.6 | ||||
| 239 | R | 33.2 | Very low | 33.9 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 88.8 | 85.8 | 159.5 | -51.4 | -157.6 | 169.2 | -169.3 | -5.2 | 123.1 | ||||
| 240 | Q | 31.5 | Very low | 33.6 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | 52.6 | 137.3 | 118.8 | -69.4 | -161.9 | 20 | 0 | 0 | 124.6 | |||||
| 241 | R | 30 | Very low | 33.6 | Very low | 236 Ų | 236 | 152.9 Ų | 152.9 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | 85.8 | 114 | 137.2 | -176.8 | -172.9 | -81.7 | -117.9 | 2.4 | 120.2 | ||||
| 242 | G | 28 | Very low | 33.7 | Very low | 64 Ų | 64 | 157.9 Ų | 157.9 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | 159.4 | 109 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 243 | S | 34.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 157 Ų | 157 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 71.7 | 149.4 | 141 | -55.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 244 | K | 35.1 | Very low | 34.2 | Very low | 200 Ų | 200 | 157.4 Ų | 157.4 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -110.5 | -176.6 | 172.1 | -74.4 | -178.6 | 176.7 | 177.2 | 0 | 108.8 | ||||
| 245 | P | 42.8 | Very low | 34.5 | Very low | 109 Ų | 109 | 160.2 Ų | 160.2 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | -150.7 | -174.9 | 19.8 | 44.5 | -21.9 | 0 | 0 | 0 | 120.1 | ||||
| 246 | H | 33.7 | Very low | 34.8 | Very low | 174 Ų | 174 | 165.5 Ų | 165.5 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | 6 | 144.7 | 159.3 | -56.8 | -69.7 | 0 | 0 | 0 | 121.9 | ||||
| 247 | K | 33.3 | Very low | 34.9 | Very low | 176 Ų | 176 | 166.1 Ų | 166.1 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | -170.1 | 155.6 | 67 | -86.2 | 179.3 | 173 | 176.1 | 0 | 113.8 | |||||
| 248 | H | 35.4 | Very low | 35 | Very low | 167 Ų | 167 | 169.4 Ų | 169.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 36.5 | 160.8 | 143.2 | -58.7 | -43.5 | 0 | 0 | 0 | 122.8 | ||||
| 249 | K | 32.6 | Very low | 35.1 | Very low | 175 Ų | 175 | 170.4 Ų | 170.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | cis | 171.4 | 140.5 | -18.6 | 171.7 | -173.9 | 179.8 | -176.7 | 0 | 105.7 | ||||
| 250 | H | 40.4 | Very low | 35.5 | Very low | 193 Ų | 193 | 172 Ų | 172 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -177 | 155.5 | 147 | -102.5 | -68.4 | 0 | 0 | 0 | 113.7 | ||||
| 251 | H | 34.5 | Very low | 35.6 | Very low | 184 Ų | 184 | 170.7 Ų | 170.7 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -97.6 | 162.9 | 174 | -76.5 | -39.2 | 0 | 0 | 0 | 112.5 | ||||
| 252 | K | 40.8 | Very low | 35.9 | Very low | 206 Ų | 206 | 163.5 Ų | 163.5 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -150.7 | 150.1 | 140.1 | -117 | 174.5 | -177 | 179.6 | 0 | 111.4 | ||||
| 253 | H | 33.3 | Very low | 36.3 | Very low | 151 Ų | 151 | 166.4 Ų | 166.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -159.3 | 119.1 | -169.1 | -168.8 | -65.4 | 0 | 0 | 0 | 111.9 | ||||
| 254 | H | 42 | Very low | 36.4 | Very low | 172 Ų | 172 | 166.4 Ų | 166.4 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 132 | 166.9 | -69.8 | -74.2 | 0 | 0 | 0 | 106.1 | ||||
| 255 | H | 37.4 | Very low | 36.4 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 57.7 | 138 | 57.3 | -75.7 | -41.5 | 0 | 0 | 0 | 113.7 | |||||
| 256 | R | 32.6 | Very low | 36 | Very low | 208 Ų | 208 | 162.6 Ų | 162.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | cis | -162.2 | 137.2 | 24.5 | -156.7 | -175.7 | 70.3 | 168.6 | 1.6 | 114.4 | ||||
| 257 | H | 37.1 | Very low | 36 | Very low | 154 Ų | 154 | 159 Ų | 159 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 60.4 | 167.6 | 151 | -84.8 | -33.6 | 0 | 0 | 0 | 119.9 | ||||
| 258 | K | 36.3 | Very low | 36 | Very low | 186 Ų | 186 | 158.2 Ų | 158.2 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | cis | -146.5 | 167.4 | 2.1 | -138 | 171 | -169.4 | -174.4 | 0 | 112.2 | ||||
| 259 | L | 34.1 | Very low | 35.9 | Very low | 150 Ų | 150 | 157.3 Ų | 157.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -98.1 | 146.1 | 173.6 | -165 | 86.8 | 0 | 0 | 0 | 111.4 | ||||
| 260 | R | 41.5 | Very low | 36 | Very low | 242 Ų | 242 | 154.9 Ų | 154.9 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -169.2 | 149 | 151.6 | -126.4 | 176.9 | -177.7 | 167.5 | -0.8 | 113.8 | ||||
| 261 | D | 32.8 | Very low | 35.6 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -104.6 | -175.7 | -178.7 | -49.9 | -89.3 | 0 | 0 | 0 | 113.3 | ||||
| 262 | A | 35.5 | Very low | 35.5 | Very low | 85 Ų | 85 | 148.1 Ų | 148.1 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 107.8 | 90.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 263 | T | 37.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | 58.9 | 136.3 | 121.9 | 56.4 | 0 | 0 | 0 | 0 | 125 | |||||
| 264 | T | 36.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 83.4 | 128.2 | 137 | 42.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 265 | S | 35.7 | Very low | 34.7 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 83.8 | 146.7 | 137.8 | -156.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 266 | T | 33.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | cis | -169.1 | 173.1 | -24.3 | -76.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 267 | C | 33.2 | Very low | 34.6 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | trans | 79 | 121.2 | 174.6 | -76.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 268 | E | 34.2 | Very low | 34.3 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 78.6 | 143 | 69.4 | -75.7 | -174.9 | -167.1 | 0 | 0 | 112.6 | |||||
| 269 | Q | 33.4 | Very low | 34.7 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | cis | -152.9 | -178.8 | 14.9 | -133.5 | 172.4 | 78.9 | 0 | 0 | 107.5 | ||||
| 270 | L | 33.5 | Very low | 34.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | cis | -157.6 | 161.8 | 15.6 | -103.7 | 170.6 | 0 | 0 | 0 | 108.9 | ||||
| 271 | L | 32.9 | Very low | 34.3 | Very low | 165 Ų | 165 | 125.3 Ų | 125.3 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | 47.2 | 143.7 | 147.7 | -56.8 | 168.5 | 0 | 0 | 0 | 122.3 | ||||
| 272 | G | 31.6 | Very low | 34.2 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | 178.5 | -177.6 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 273 | S | 33.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -50.1 | 165.2 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 274 | S | 34.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -166.8 | 175.9 | 4.1 | -124.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 275 | D | 31.4 | Very low | 33.6 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | 69.4 | 112.6 | 150.2 | -57.7 | -30.7 | 0 | 0 | 0 | 124.8 | ||||
| 276 | S | 32.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | 36.7 | 128 | 126.2 | -162.3 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 277 | I | 36 | Very low | 33.4 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | -177.5 | 159.6 | 122 | -94.1 | 157.2 | 0 | 0 | 0 | 111.3 | |||||
| 278 | N | 31.2 | Very low | 33.3 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -144.8 | 177.5 | -177.4 | -131.6 | -19.2 | 0 | 0 | 0 | 107.7 | ||||
| 279 | P | 44.4 | Very low | 33.1 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | cis | -141.4 | -166.8 | -8.6 | 30.3 | -4.8 | 0 | 0 | 0 | 115.8 | ||||
| 280 | T | 31.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 106 | 145.7 | 139.7 | -19.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 281 | I | 34.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 97.7 | 88.2 | 159.7 | -49.5 | -173.3 | 0 | 0 | 0 | 119.1 | ||||
| 282 | L | 30.6 | Very low | 33 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | 28.5 | 120.2 | 128.2 | -58.6 | 170.7 | 0 | 0 | 0 | 121 | |||||
| 283 | K | 33.7 | Very low | 32.9 | Very low | 215 Ų | 215 | 147.1 Ų | 147.1 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | -159.4 | 165.6 | 109.9 | -116 | 173 | -176.5 | 176.4 | 0 | 113.1 | |||||
| 284 | V | 31.2 | Very low | 33 | Very low | 120 Ų | 120 | 147 Ų | 147 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -106.4 | 140.1 | -172.8 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 285 | N | 31.7 | Very low | 33 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -179.6 | 162.2 | 132.2 | -91 | 3.7 | 0 | 0 | 0 | 111 | ||||
| 286 | E | 30 | Very low | 33.1 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -94.6 | 139.8 | -163.4 | -58.3 | 157 | 108.9 | 0 | 0 | 113.7 | ||||
| 287 | S | 35.1 | Very low | 33.4 | Very low | 118 Ų | 118 | 156 Ų | 156 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -163.5 | 134.4 | 138.9 | -10.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 288 | E | 32.4 | Very low | 33.4 | Very low | 196 Ų | 196 | 156.4 Ų | 156.4 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | 26.7 | 111.2 | 153.9 | -52.8 | -160.1 | 126.5 | 0 | 0 | 121.8 | ||||
| 289 | G | 29.2 | Very low | 33.6 | Very low | 72 Ų | 72 | 154 Ų | 154 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | 101.3 | 107.1 | 122.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 290 | L | 33.2 | Very low | 33.2 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | -154.4 | 151.4 | 124.8 | -137.3 | 79 | 0 | 0 | 0 | 111.6 | |||||
| 291 | I | 29.7 | Very low | 33.4 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -96.6 | 112.5 | -175.6 | -61.7 | 168.1 | 0 | 0 | 0 | 110.1 | ||||
| 292 | M | 34.6 | Very low | 33.3 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -87.2 | 134 | 161.8 | -84.5 | -66.1 | -161.5 | 0 | 0 | 110.3 | ||||
| 293 | K | 30.5 | Very low | 33.7 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -89.8 | 122.3 | 176.5 | -65.7 | 174 | -178.8 | 172.4 | 0 | 109.9 | ||||
| 294 | S | 35.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -106.1 | 141.3 | 159.4 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | Q296 | S294-Q296 PolarHBondContact O-N 3.03Š| ||
| 295 | E | 33.4 | Very low | 34 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -71 | 123.5 | -174.5 | -69.3 | 177.7 | 90.2 | 0 | 0 | 112 | I297 | E295-I297 PolarHBondContact O-N 3.45Š| ||
| 296 | Q | 33.5 | Very low | 34.2 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -88.4 | 96 | -175.7 | -174.6 | 176.8 | 72.7 | 0 | 0 | 110.9 | S294 K298 | S294-Q296 PolarHBondContact O-N 3.03Å; Q296-K298 PolarHBondContact O-N 3.38Å | ||
| 297 | I | 39.9 | Very low | 34.4 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -65.8 | 105.4 | 167 | -60.2 | 179.3 | 0 | 0 | 0 | 108.1 | E295 | E295-I297 PolarHBondContact O-N 3.45Š| ||
| 298 | K | 36.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.6 | -170.5 | -175.3 | 179.9 | 178.4 | 179.9 | 0 | 111.6 | Q296 | Q296-K298 PolarHBondContact O-N 3.38Š|
| 299 | P | 34 | Very low | 34.3 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 153.5 | 173.5 | 29.4 | -35 | 0 | 0 | 0 | 111.5 | ||
| 300 | P | 36.4 | Very low | 34.6 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 148.5 | 177.6 | 27.8 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 301 | P | 35.8 | Very low | 34.3 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70 | 151.1 | 177.9 | 30.6 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 302 | P | 33.3 | Very low | 34.5 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 153.6 | 171.7 | 30.1 | -35.4 | 0 | 0 | 0 | 111.3 | ||
| 303 | P | 38.4 | Very low | 34.3 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 54% | 0.539 | 78% | 0.781 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 146.4 | 179 | 26.1 | -34.3 | 0 | 0 | 0 | 111.9 | R305 | P303-R305 PolarHBondContact O-N 3.46Š|
| 304 | P | 37 | Very low | 34.2 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 131.3 | -176.6 | 27.9 | -34.4 | 0 | 0 | 0 | 111.4 | S306 | P304-S306 PolarHBondContact O-N 3.13Š|
| 305 | R | 33.8 | Very low | 34.1 | Very low | 220 Ų | 220 | 138.1 Ų | 138.1 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.3 | 172.2 | -75.9 | -177.6 | 169.5 | -171.7 | -4.7 | 110.1 | P303 H307 | P303-R305 PolarHBondContact O-N 3.46Å; R305-H307 PolarHBondContact O-CD2 3.24Å; R305-H307 VanDerWaalsContact O-CD2 3.31Å; R305-H307 PolarHBondContact O-N 3.47Å |
| 306 | S | 36 | Very low | 33.9 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -72.7 | 94.8 | 173 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | P304 S308 | P304-S306 PolarHBondContact O-N 3.13Å; S306-S308 PolarHBondContact O-N 3.28Å | ||
| 307 | H | 34.6 | Very low | 34 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -77.2 | 96.4 | 173.3 | -76.1 | -93.4 | 0 | 0 | 0 | 110.7 | R305 S309 | R305-H307 PolarHBondContact O-CD2 3.24Å; R305-H307 VanDerWaalsContact O-CD2 3.31Å; R305-H307 PolarHBondContact O-N 3.47Å; H307-S309 PolarHBondContact O-N 3.46Å | ||
| 308 | S | 30.9 | Very low | 33.6 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -84 | 97.6 | 170.5 | 58 | 0 | 0 | 0 | 0 | 110.7 | S306 | S306-S308 PolarHBondContact O-N 3.28Š| ||
| 309 | S | 35.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 144.7 | 171.1 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | H307 | H307-S309 PolarHBondContact O-N 3.46Š|
| 310 | V | 34.9 | Very low | 33 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 155.1 | -173.8 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 311 | T | 26.5 | Very low | 32.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144 | 175.8 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 312 | S | 33.6 | Very low | 32.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -126.7 | 138.1 | 159.8 | -69.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 313 | S | 30.2 | Very low | 32.6 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -88.9 | 163.6 | -159.9 | -45.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 314 | T | 28.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 67.7 | 108.2 | 146.3 | -48.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 315 | Q | 32.8 | Very low | 32.2 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -147.9 | 147.1 | 129.1 | -152.9 | 162.6 | 13.5 | 0 | 0 | 112.5 | |||||
| 316 | L | 30.4 | Very low | 32.2 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 170.1 | 175.8 | -64.5 | 159.6 | 0 | 0 | 0 | 111 | ||||
| 317 | P | 35.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -138.2 | 154.2 | 123.6 | 37.6 | -27.9 | 0 | 0 | 0 | 114.5 | |||||
| 318 | A | 30.6 | Very low | 32.1 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -143.6 | 128.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 319 | K | 29.5 | Very low | 32.4 | Very low | 208 Ų | 208 | 130.5 Ų | 130.5 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | 45.7 | 115.6 | 150.7 | -56.5 | 178.7 | -178.6 | 179.5 | 0 | 120.9 | ||||
| 320 | S | 28.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 179.5 | 106.6 | 130.8 | -157.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 321 | I | 31 | Very low | 32.3 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 80.1 | 141 | 87.7 | -61.6 | 160.6 | 0 | 0 | 0 | 115 | |||||
| 322 | T | 33 | Very low | 32.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | 78.5 | 104.2 | 179.5 | -21 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 323 | S | 32 | Very low | 32.9 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | cis | 77.5 | 149 | 47.5 | 88.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 324 | T | 32.9 | Very low | 32.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | cis | -161.2 | 176.2 | 21.7 | -27.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 325 | L | 34.3 | Very low | 33 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 74.8 | 144 | 166.2 | -62.5 | 160.4 | 0 | 0 | 0 | 117.9 | ||||
| 326 | A | 33.5 | Very low | 32.9 | Very low | 87 Ų | 87 | 137.1 Ų | 137.1 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | cis | -162.8 | 165.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 327 | A | 35.9 | Very low | 32.8 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 78.1 | 109.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 328 | N | 34.2 | Very low | 32.5 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | 98.5 | 114.8 | 125.4 | -80.4 | 3.9 | 0 | 0 | 0 | 125.5 | |||||
| 329 | H | 35.6 | Very low | 32.4 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 82.1 | 126.8 | 141.2 | -61.7 | -45.8 | 0 | 0 | 0 | 123.1 | ||||
| 330 | Q | 35.9 | Very low | 32.5 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 62.1 | 134.2 | 149 | -69.1 | -179.8 | 0.6 | 0 | 0 | 118.7 | ||||
| 331 | S | 32.6 | Very low | 32.6 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -158.3 | 166.5 | -10.2 | -65.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 332 | P | 39.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -101 | 165.3 | -156.4 | 38.9 | -37.3 | 0 | 0 | 0 | 116.6 | ||||
| 333 | V | 34 | Very low | 32.3 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | -160.1 | 139.8 | 118.7 | 143.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 334 | L | 28.6 | Very low | 32.3 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -147 | 166.7 | 173 | -76.9 | 173.7 | 0 | 0 | 0 | 106 | ||||
| 335 | K | 32 | Very low | 32.5 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | cis | -161.8 | -178.1 | 20.5 | -138.7 | 158 | -172.6 | 178.8 | 0 | 110.4 | ||||
| 336 | H | 31.2 | Very low | 32.2 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -84.8 | 172 | 175.6 | -97.4 | -109.8 | 0 | 0 | 0 | 114.9 | ||||
| 337 | H | 28 | Very low | 32.5 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 146.7 | 173.9 | -89.7 | 9.5 | 0 | 0 | 0 | 116.7 | ||||
| 338 | E | 30.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | -175.2 | 124 | 100.7 | -92.5 | -170.6 | 89.9 | 0 | 0 | 107.9 | |||||
| 339 | K | 28.7 | Very low | 32.1 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | 75 | 111.7 | 73.6 | -170.8 | -178.9 | -179.4 | -177.9 | 0 | 114.7 | |||||
| 340 | L | 31.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 156.4 Ų | 156.4 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -170.2 | 157.4 | 135.7 | -101.7 | 174.8 | 0 | 0 | 0 | 112.2 | ||||
| 341 | H | 31 | Very low | 31.5 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | trans | -31.8 | 160.9 | 171.7 | -68.7 | 99 | 0 | 0 | 0 | 118.7 | ||||
| 342 | E | 26.4 | Very low | 31.4 | Very low | 161 Ų | 161 | 157 Ų | 157 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | cis | 179.1 | 144.3 | -7.1 | 165.9 | 170.5 | -112.9 | 0 | 0 | 110 | ||||
| 343 | M | 31.2 | Very low | 30.9 | Very low | 188 Ų | 188 | 156.1 Ų | 156.1 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -167 | 103.6 | 155.1 | -119.4 | 167.4 | 63.7 | 0 | 0 | 114.8 | ||||
| 344 | E | 30.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | -10.7 | 137.5 | 150.9 | -174.7 | 180 | 174.2 | 0 | 0 | 121.7 | N346 | E344-N346 PolarHBondContact OE1-ND2 3Š| ||
| 345 | V | 37 | Very low | 30.9 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -142.3 | 136.1 | 135.2 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 346 | N | 30 | Very low | 30.9 | Very low | 115 Ų | 115 | 155 Ų | 155 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | -92.8 | 156.5 | -171.3 | -65.3 | -65.5 | 0 | 0 | 0 | 115.7 | E344 | E344-N346 PolarHBondContact OE1-ND2 3Š| ||
| 347 | K | 38.9 | Very low | 31 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -160.2 | 99.9 | 130.6 | -118.5 | -179.7 | 178.3 | -179.3 | 0 | 116.3 | ||||
| 348 | T | 34.2 | Very low | 31 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 46 | 126.8 | 136.8 | 56.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 349 | L | 28 | Very low | 31.2 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -90.2 | 156.7 | 165.7 | 143.5 | 160.6 | 0 | 0 | 0 | 112 | ||||
| 350 | H | 31.9 | Very low | 31.4 | Very low | 164 Ų | 164 | 146 Ų | 146 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -154.6 | 158.1 | 139.2 | -136.1 | -80.2 | 0 | 0 | 0 | 112.9 | ||||
| 351 | E | 25.4 | Very low | 31.6 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -132.3 | 158 | -174.2 | 178.1 | 177.9 | 179.9 | 0 | 0 | 110 | ||||
| 352 | M | 31.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 150.2 | 108.6 | 144.2 | -81.2 | 179.5 | -58.6 | 0 | 0 | 114.7 | ||||
| 353 | T | 29.1 | Very low | 31.9 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | 59.5 | 134.7 | 111.3 | -46.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 354 | E | 33.4 | Very low | 32.2 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | 68 | 149.3 | 156.2 | -78.9 | 159.5 | -146.2 | 0 | 0 | 120.3 | ||||
| 355 | D | 29.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | -161.5 | 165.1 | -20.1 | -164.4 | 17.7 | 0 | 0 | 0 | 112.5 | ||||
| 356 | L | 33 | Very low | 31.9 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | 61.7 | 136.2 | 148.9 | -132.1 | 69.2 | 0 | 0 | 0 | 126.1 | ||||
| 357 | T | 31.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | 84.1 | 124.5 | 146.5 | 19.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 358 | D | 29.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 47.8 | 123.8 | 147 | -78.1 | -46.2 | 0 | 0 | 0 | 123.5 | ||||
| 359 | V | 34.2 | Very low | 31.4 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -154.7 | 128.1 | 96.3 | 157.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 360 | L | 31.2 | Very low | 31.5 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -106.8 | 155.7 | 156.6 | -72.5 | 173.1 | 0 | 0 | 0 | 108.9 | ||||
| 361 | P | 37.7 | Very low | 31.2 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | -155.8 | 139.6 | 102.7 | 35.4 | -16 | 0 | 0 | 0 | 117.8 | |||||
| 362 | L | 31.9 | Very low | 31.4 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | 60.3 | 153.1 | 137.6 | -54.3 | 171.4 | 0 | 0 | 0 | 119.8 | ||||
| 363 | G | 30.7 | Very low | 31.1 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | -166.7 | -175.4 | 4.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 364 | P | 38.2 | Very low | 31 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -109.6 | 174.1 | -153.4 | 40.7 | -37.2 | 0 | 0 | 0 | 116.4 | ||||
| 365 | K | 33.1 | Very low | 30.5 | Very low | 215 Ų | 215 | 135.3 Ų | 135.3 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -159.5 | 156.4 | 149.6 | -109.5 | 158.9 | -170 | 174.8 | 0 | 111.6 | ||||
| 366 | S | 27.9 | Very low | 30.2 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -148.8 | 167.5 | -172.1 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 367 | T | 29.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 74.1 | 112.4 | 158 | -23.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 368 | T | 31.7 | Very low | 29.5 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | 169.5 | 142.5 | 106.6 | 34.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 369 | S | 30 | Very low | 29.3 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 63.1 | 151.3 | 164.9 | -113.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 370 | A | 31.7 | Very low | 28.9 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | cis | -133.9 | 169.7 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 371 | L | 25.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -133 | 139.3 | -169.1 | 173.4 | 141.5 | 0 | 0 | 0 | 111.1 | ||||
| 372 | A | 30.2 | Very low | 28.4 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -167.2 | 158.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 373 | Q | 24.4 | Very low | 28.4 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -133.4 | 143.8 | -178.8 | -60 | 164.5 | -70.5 | 0 | 0 | 111.2 | ||||
| 374 | H | 26.6 | Very low | 28.3 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -171.8 | 141.4 | 158.6 | -95 | -71.4 | 0 | 0 | 0 | 107 | ||||
| 375 | F | 22.2 | Very low | 27.7 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | cis | 72.2 | 80.6 | -1 | -105.3 | -74.7 | 0 | 0 | 0 | 117.8 | ||||
| 376 | Y | 23.6 | Very low | 27.4 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | -166 | 170.3 | 94.6 | -115.1 | -80.7 | 0 | 0 | 0 | 112.8 | |||||
| 377 | D | 23.9 | Very low | 27.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | trans | -70.8 | 156.4 | 177.7 | -179.6 | 34.1 | 0 | 0 | 0 | 114 | ||||
| 378 | M | 27.2 | Very low | 27.5 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | -176.1 | 158.7 | 129.5 | -99.3 | -58.4 | 133.5 | 0 | 0 | 112.8 | |||||
| 379 | A | 23.1 | Very low | 27.4 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -96.3 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 380 | D | 27.5 | Very low | 27.4 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 56.4 | 108.9 | 167 | -66.8 | -26.9 | 0 | 0 | 0 | 119 | ||||
| 381 | H | 31.4 | Very low | 27.4 | Very low | 190 Ų | 190 | 147 Ų | 147 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | -174.7 | 99.9 | 127.8 | -85.8 | -30.4 | 0 | 0 | 0 | 111 | S383 | H381-S383 PolarHBondContact O-N 2.92Š| |||
| 382 | R | 27.3 | Very low | 27.6 | Very low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -90 | 82.6 | 155.3 | -89.4 | -162.9 | 176.4 | -158.2 | 2.6 | 109.1 | S590 | R382-S590 PolarHBondContact NH2-OG 2.85Š| ||
| 383 | S | 31.3 | Very low | 27.6 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -81.3 | 154.9 | 161.1 | -165.2 | 0 | 0 | 0 | 0 | 110.1 | H381 | H381-S383 PolarHBondContact O-N 2.92Š| ||
| 384 | C | 27.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 147 Ų | 147 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -92 | 157.1 | -177.3 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 385 | G | 26.6 | Very low | 28.6 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 122.8 | 106.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 386 | G | 27.2 | Very low | 29.6 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 173.6 | 138.8 | 160 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 387 | I | 29.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | cis | -152.3 | 147.7 | -14.2 | 33.3 | 171.3 | 0 | 0 | 0 | 107.7 | ||||
| 388 | A | 27.7 | Very low | 30.8 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -141.2 | 92 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 389 | L | 31.3 | Very low | 31.1 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 149.8 | 164.6 | -157.7 | 76.6 | 0 | 0 | 0 | 107.8 | ||||
| 390 | D | 28.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | 168.7 | 114 | 132.8 | -86.8 | -9.6 | 0 | 0 | 0 | 111.1 | ||||
| 391 | K | 32.3 | Very low | 32.1 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -175.2 | 107 | 133 | -106.9 | 179 | 179 | -172.2 | 0 | 111.8 | ||||
| 392 | E | 28.6 | Very low | 32.2 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 163.2 | 159.5 | -61.5 | -175.3 | 92.6 | 0 | 0 | 111 | ||||
| 393 | T | 32.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | 175.5 | 156.3 | 117.3 | 27.9 | 0 | 0 | 0 | 0 | 110.4 | I395 | T393-I395 HydrophobicContact CG2-CG1 4.33Š| |||
| 394 | P | 36.4 | Very low | 32.4 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | -124.7 | 165.3 | 106.6 | 0.2 | 21 | 0 | 0 | 0 | 113.9 | |||||
| 395 | I | 34.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 65% | 0.651 | 79% | 0.789 | S | S | * | * | trans | -124.9 | 159.9 | -176.7 | -26.7 | 178.6 | 0 | 0 | 0 | 109.5 | T393 | T393-I395 HydrophobicContact CG2-CG1 4.33Š| ||
| 396 | P | 44.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -139.9 | 129.6 | 105.6 | 34.4 | -20.4 | 0 | 0 | 0 | 112.4 | |||||
| 397 | E | 34.3 | Very low | 32.9 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 85.1 | 126 | 65 | -82 | -163.4 | 152.2 | 0 | 0 | 115.5 | |||||
| 398 | K | 38.4 | Very low | 33.2 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -169.6 | 132 | 144.6 | -108.8 | -172.9 | 173.8 | -176.6 | 0 | 111.9 | ||||
| 399 | D | 32.1 | Very low | 33.5 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | 36.3 | 133.3 | 137.7 | -49.5 | -27.3 | 0 | 0 | 0 | 119.5 | ||||
| 400 | I | 38.1 | Very low | 33.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -168.4 | 165.9 | 1.7 | -134.6 | 171.2 | 0 | 0 | 0 | 106.7 | ||||
| 401 | Q | 34.8 | Very low | 33.9 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | cis | -153.1 | 177.9 | 15.8 | -149.4 | 178.5 | -50 | 0 | 0 | 110.6 | ||||
| 402 | E | 32.3 | Very low | 34.3 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -101.7 | 159.1 | 171.8 | -54.8 | 172.1 | 108.8 | 0 | 0 | 112.2 | ||||
| 403 | S | 34.2 | Very low | 35.2 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | 143 | 167.7 | 90.3 | 62.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 404 | N | 30.3 | Very low | 35.3 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | cis | -151.5 | -175.1 | -18.9 | -134.4 | -38.8 | 0 | 0 | 0 | 108.7 | ||||
| 405 | A | 29.9 | Very low | 35.1 | Very low | 78 Ų | 78 | 138 Ų | 138 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | trans | -117.6 | 161.3 | -170 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 406 | Q | 31.5 | Very low | 35.2 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 102.5 | 154.8 | 133.8 | -149.3 | 160.1 | -16.7 | 0 | 0 | 121.1 | ||||
| 407 | F | 30.4 | Very low | 34.7 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 78.9 | 141.5 | 171.1 | -59.1 | -78.8 | 0 | 0 | 0 | 118.8 | ||||
| 408 | I | 34.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | cis | -163.1 | 165.1 | -24.7 | -144.1 | -172.8 | 0 | 0 | 0 | 112.1 | ||||
| 409 | N | 35 | Very low | 34.4 | Very low | 114 Ų | 114 | 131 Ų | 131 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | trans | 72.6 | 122.2 | 161 | -75.6 | 42.1 | 0 | 0 | 0 | 124.7 | ||||
| 410 | D | 33 | Very low | 34.3 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 67.9 | 111.1 | 126.7 | -52.7 | -17.3 | 0 | 0 | 0 | 124.8 | |||||
| 411 | N | 35.1 | Very low | 33.8 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | -156.8 | 155.2 | 110.5 | -113.7 | -36.6 | 0 | 0 | 0 | 112.1 | |||||
| 412 | A | 41.3 | Very low | 33.6 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -136.4 | -160.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 413 | P | 46 | Very low | 33.5 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -138.9 | 175.1 | -10.1 | 42.4 | -26 | 0 | 0 | 0 | 115.8 | ||||
| 414 | A | 35.8 | Very low | 33.4 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -176.9 | 105.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 415 | N | 31.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -134.1 | -175.4 | -175.3 | -66.9 | 12.4 | 0 | 0 | 0 | 112.5 | ||||
| 416 | T | 36.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 127.6 | 172.2 | 16.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 417 | S | 33.8 | Very low | 33.6 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | -141.4 | 174 | 1.9 | -59.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 418 | T | 35.9 | Very low | 33.4 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | cis | -156.8 | 162.6 | 25.8 | -43.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 419 | A | 30.1 | Very low | 33 | Very low | 82 Ų | 82 | 121.1 Ų | 121.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 420 | T | 29.9 | Very low | 32.8 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | cis | -152.2 | 152.2 | 21.5 | -43.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 421 | T | 28.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 153.4 | 173 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 422 | T | 29.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 117.3 Ų | 117.3 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -134.8 | 135.3 | 164.4 | 46 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 423 | S | 31.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 119.4 | 169.8 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 424 | S | 31.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 32 | 120.6 | 158.9 | -52.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 425 | S | 31.6 | Very low | 31.7 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | 144.2 | 118.6 | 119.6 | -72.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 426 | T | 29 | Very low | 31.9 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | 47.1 | 100.5 | 139 | 61.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 427 | T | 35 | Very low | 31.6 | Very low | 156 Ų | 156 | 115.1 Ų | 115.1 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | trans | -172.5 | 165.8 | 133.1 | 20.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 428 | G | 27.1 | Very low | 31.5 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | cis | 155.3 | 116.2 | -0.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 429 | C | 26.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 32.5 | 125 | 167.8 | 57.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 430 | S | 30.8 | Very low | 32 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | 177.7 | 164 | 125.9 | -85.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 431 | T | 30.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | cis | -167.5 | 150.3 | -34.6 | -76.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 432 | A | 30.8 | Very low | 32.8 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -71.9 | 154.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 433 | T | 37.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 117.5 Ų | 117.5 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 115.6 | -177.7 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 434 | S | 36.3 | Very low | 33.4 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | 15.6 | 119.2 | 148.9 | -50.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 435 | G | 32.7 | Very low | 33.6 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -137.9 | 125.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 436 | S | 35.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -113.2 | 140.4 | -164.2 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 437 | G | 30.7 | Very low | 33.9 | Very low | 66 Ų | 66 | 120.9 Ų | 120.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -177.5 | 118.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 438 | H | 31 | Very low | 34 | Very low | 186 Ų | 186 | 119.1 Ų | 119.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 58.3 | 127.1 | 166 | -69.7 | -82.5 | 0 | 0 | 0 | 121.2 | ||||
| 439 | P | 42.1 | Very low | 34.3 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -126.9 | 136.5 | 145.7 | 36.5 | -24.4 | 0 | 0 | 0 | 113 | ||||
| 440 | D | 35.1 | Very low | 34.3 | Very low | 160 Ų | 160 | 123.3 Ų | 123.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -170 | 145.9 | 163.3 | -91 | -45.3 | 0 | 0 | 0 | 106.4 | ||||
| 441 | S | 40.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -164.5 | 150.7 | -19 | -178 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 442 | S | 33.4 | Very low | 34.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 45.6 | 134.6 | 165.1 | 64.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 443 | S | 42.5 | Very low | 34.1 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | -166.3 | 171.1 | 52.3 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 444 | D | 32.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -60.1 | 146 | -172 | -40.1 | -75.3 | 0 | 0 | 0 | 115.2 | ||||
| 445 | N | 35.9 | Very low | 33.3 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | -172.5 | 128.7 | 70.7 | -100.5 | -70.6 | 0 | 0 | 0 | 115.5 | |||||
| 446 | S | 32.7 | Very low | 33.3 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 40.3 | 94.1 | 113.5 | -42.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 447 | L | 33.8 | Very low | 33.2 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | 144.7 | 138.2 | 114.9 | -78.1 | 172.9 | 0 | 0 | 0 | 114.9 | |||||
| 448 | P | 36.5 | Very low | 33 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -97.6 | 147.6 | 175.5 | 37.1 | -32.6 | 0 | 0 | 0 | 113.2 | ||||
| 449 | I | 33.8 | Very low | 32.9 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -153.5 | 157.4 | 163.5 | -136.3 | 163.9 | 0 | 0 | 0 | 114.5 | ||||
| 450 | S | 27.1 | Very low | 32.6 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -73.9 | 144.6 | -166.6 | -47.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 451 | K | 33.4 | Very low | 32.7 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -175.1 | 126.2 | 134.5 | -88.6 | 136.5 | -168.3 | 178.1 | 0 | 105.7 | ||||
| 452 | R | 26.2 | Very low | 32.4 | Very low | 224 Ų | 224 | 128.4 Ų | 128.4 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | cis | 52.5 | 90.8 | 39.9 | -162.4 | 178.3 | -170.3 | 171.8 | 5.5 | 113.6 | ||||
| 453 | C | 28.5 | Very low | 32.4 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -130.6 | 123.1 | 158.2 | -71.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 454 | T | 27.1 | Very low | 32 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | trans | -152.6 | 136.6 | 171.2 | 47 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 455 | C | 28 | Very low | 32 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | 64.6 | 145.5 | -172.2 | 92.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 456 | T | 33.6 | Very low | 31.6 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -133.6 | 158.9 | 0.5 | 40.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 457 | P | 33.4 | Very low | 31.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -73.7 | 152.3 | 165.8 | 33.1 | -35.2 | 0 | 0 | 0 | 111.8 | ||||
| 458 | G | 26.3 | Very low | 31.3 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 175.9 | 154.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 459 | C | 28.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 136 Ų | 136 | 92% | 0.919 | 79% | 0.792 | S | S | * | * | trans | 64 | 98.4 | 170.5 | -55.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 460 | T | 36.9 | Very low | 31.1 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 164.5 | 152.5 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 461 | S | 36.5 | Very low | 31.4 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 8.7 | 122.2 | 157.1 | 54 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 462 | G | 34.4 | Very low | 31.5 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | 83 | 95.6 | 16.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 463 | E | 33.4 | Very low | 32 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -146.6 | 129.4 | -173.5 | -155.1 | 167.4 | -112.5 | 0 | 0 | 111.8 | ||||
| 464 | H | 34.4 | Very low | 32.2 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -79.6 | 118.2 | 155 | -109.1 | -92.9 | 0 | 0 | 0 | 107.6 | ||
| 465 | T | 31.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 85.2 | 73.6 | 165.8 | -26.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 466 | C | 28 | Very low | 32.9 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | -45.1 | 142.4 | 161.5 | -39.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 467 | V | 31.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -145.4 | 146.2 | 138.8 | -98 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 468 | I | 29.9 | Very low | 32.9 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -103.8 | 137.7 | -170.4 | -56 | 174.4 | 0 | 0 | 0 | 109.6 | ||||
| 469 | F | 34 | Very low | 33.2 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | 166.7 | 168.8 | 126 | -88.6 | -62.1 | 0 | 0 | 0 | 112.8 | |||||
| 470 | D | 31.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | -97.8 | 157 | -149.4 | -63.6 | -94.9 | 0 | 0 | 0 | 118.3 | ||||
| 471 | N | 33.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 63.5 | 126.1 | 142.2 | -74.3 | -42.8 | 0 | 0 | 0 | 123.1 | ||||
| 472 | N | 34.5 | Very low | 33 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | 74.2 | 159.9 | 147.2 | -83.2 | -18.5 | 0 | 0 | 0 | 120.7 | ||||
| 473 | P | 36.6 | Very low | 32.7 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -121 | 154.1 | -152.8 | 40.5 | -28.5 | 0 | 0 | 0 | 117.1 | ||||
| 474 | H | 32.8 | Very low | 32.9 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 63.5 | 167.2 | 156.4 | -97.1 | -28.3 | 0 | 0 | 0 | 118 | ||||
| 475 | P | 42.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | cis | -128.2 | 169 | -46.3 | 30.3 | -13.4 | 0 | 0 | 0 | 112.9 | ||||
| 476 | G | 27.2 | Very low | 32.4 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 138.7 | 102 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 477 | D | 33.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 179.5 | 132.1 | 113.4 | -100.4 | -30.2 | 0 | 0 | 0 | 109.1 | |||||
| 478 | S | 35 | Very low | 32.7 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | 64.1 | 111.4 | 73.8 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 479 | N | 33.3 | Very low | 32.6 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | cis | -142.2 | 177.6 | 10.5 | -78.1 | -72.4 | 0 | 0 | 0 | 108.3 | ||||
| 480 | Q | 36.5 | Very low | 32.5 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | cis | -161.6 | 157.4 | 33.9 | -159 | 169.7 | 104.6 | 0 | 0 | 112.2 | ||||
| 481 | L | 27.5 | Very low | 32.5 | Very low | 152 Ų | 152 | 141 Ų | 141 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -90.6 | 136 | 179.8 | 178.1 | 71.9 | 0 | 0 | 0 | 111.4 | ||||
| 482 | L | 32.9 | Very low | 32.3 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | 174.3 | 147.1 | 134.1 | -93.1 | 162.2 | 0 | 0 | 0 | 113.2 | ||||
| 483 | K | 28.4 | Very low | 32 | Very low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -118.9 | -178.4 | 167.3 | -79.4 | -172.6 | 175.1 | -178.1 | 0 | 106.9 | ||||
| 484 | P | 36.7 | Very low | 31.7 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -147.7 | -171.5 | 14.8 | 43.7 | -22 | 0 | 0 | 0 | 118.5 | ||||
| 485 | T | 27.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | 85.9 | 102.4 | 145.8 | -55.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 486 | E | 28.1 | Very low | 30.7 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 60.5 | 155.4 | 140.9 | -54.2 | -177.5 | 148.6 | 0 | 0 | 120.5 | ||||
| 487 | Q | 32.5 | Very low | 30.6 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | cis | -147 | 160.8 | 27.4 | -66.9 | 174.6 | -12 | 0 | 0 | 114.9 | ||||
| 488 | H | 32.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 75.3 | 90.2 | 146.1 | -137.3 | -87.4 | 0 | 0 | 0 | 123.9 | ||||
| 489 | L | 28.1 | Very low | 30 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | 35.9 | 157.3 | 121.2 | -59.2 | 170.6 | 0 | 0 | 0 | 122.9 | |||||
| 490 | P | 31.9 | Very low | 29.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | cis | -142.3 | 164.7 | -48.9 | 40.4 | -22.7 | 0 | 0 | 0 | 114.8 | ||||
| 491 | V | 31.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -137.6 | 144 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 492 | P | 28.9 | Very low | 29 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -87 | 160.1 | -137.4 | 32.8 | -37.9 | 0 | 0 | 0 | 116.6 | ||
| 493 | P | 28.5 | Very low | 28.7 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 135.4 | 174 | 30.6 | -35.1 | 0 | 0 | 0 | 112.1 | ||
| 494 | T | 30.2 | Very low | 28.7 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.6 | 165.3 | 18.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 495 | S | 27.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 145.1 | -172.2 | -50.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 496 | P | 26.8 | Very low | 28.7 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 146.4 | 165.4 | 30.4 | -34.6 | 0 | 0 | 0 | 110.3 | S498 | P496-S498 PolarHBondContact O-N 2.99Š|
| 497 | C | 25.5 | Very low | 29 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 91% | 0.912 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 118.5 | 177.6 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 498 | S | 28.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 147 | -176.1 | -57 | 0 | 0 | 0 | 0 | 113.4 | P496 | P496-S498 PolarHBondContact O-N 2.99Š|
| 499 | T | 26 | Very low | 29.2 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 155.4 | 175.8 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | N501 | T499-N501 PolarHBondContact O-N 3.48Å; T499-N501 PolarHBondContact OG1-OD1 2.96Å |
| 500 | P | 24.5 | Very low | 30 | Very low | 119 Ų | 119 | 113 Ų | 113 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -69.3 | 112.1 | 140.4 | 30.8 | -27.5 | 0 | 0 | 0 | 107.5 | V502 | P500-V502 PolarHBondContact O-N 3.43Š| ||
| 501 | N | 26 | Very low | 30.8 | Very low | 149 Ų | 149 | 113.2 Ų | 113.2 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -61.7 | 106.8 | 179.4 | -99.8 | -9.8 | 0 | 0 | 0 | 111.2 | T499 | T499-N501 PolarHBondContact O-N 3.48Å; T499-N501 PolarHBondContact OG1-OD1 2.96Å | ||
| 502 | V | 26 | Very low | 31.4 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | -83.7 | 132.7 | 155.6 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | P500 A504 | P500-V502 PolarHBondContact O-N 3.43Å; V502-A504 PolarHBondContact O-N 3.05Å | ||
| 503 | P | 26.5 | Very low | 32.7 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 59% | 0.591 | 67% | 0.666 | S | S | * | * | trans | -60.9 | 128.2 | -177.7 | -23.3 | 33.9 | 0 | 0 | 0 | 112 | Q505 | P503-Q505 PolarHBondContact O-N 3.47Š| ||
| 504 | A | 29.5 | Very low | 34.5 | Very low | 77 Ų | 77 | 106.5 Ų | 106.5 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -10.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V502 N506 V507 | V502-A504 PolarHBondContact O-N 3.05Å; A504-N506 PolarHBondContact O-N 3.41Å; A504-V507 PolarHBondContact O-N 3.2Å |
| 505 | Q | 32.7 | Very low | 35.9 | Very low | 127 Ų | 127 | 103.3 Ų | 103.3 | 59% | 0.593 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -44.1 | -58.1 | 174.5 | -105.2 | 64.9 | 25.7 | 0 | 0 | 112.8 | P503 V507 L508 D509 | P503-Q505 PolarHBondContact O-N 3.47Å; Q505-V507 PolarHBondContact O-N 2.78Å; Q505-L508 PolarHBondContact O-N 2.83Å; Q505-D509 PolarHBondContact O-N 2.89Å |
| 506 | N | 31.4 | Very low | 37.5 | Very low | 125 Ų | 125 | 105 Ų | 105 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -55.5 | -31.8 | -173.1 | -74.2 | 20 | 0 | 0 | 0 | 113.7 | A504 D510 | A504-N506 PolarHBondContact O-N 3.41Å; N506-D510 VanDerWaalsContact O-CB 3.25Å; N506-D510 WeakPolarHBondContact O-CB 3.43Å; N506-D510 PolarHBondContact O-N 3.12Å; N506-D510 VanDerWaalsContact O-N 3.14Å |
| 507 | V | 33.9 | Very low | 39.6 | Very low | 103 Ų | 103 | 100 Ų | 100 | 62% | 0.624 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.4 | -28.8 | -178 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | A504 Q505 I511 | A504-V507 PolarHBondContact O-N 3.2Å; Q505-V507 PolarHBondContact O-N 2.78Å; V507-I511 WeakPolarHBondContact O-CD1 3.4Å; V507-I511 WeakPolarHBondContact O-CG1 3.37Å |
| 508 | L | 34.8 | Very low | 42 | Very low | 129 Ų | 129 | 95.6 Ų | 95.6 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -83.9 | -38.5 | 176.6 | -168.9 | 63.6 | 0 | 0 | 0 | 111.4 | Q505 N512 | Q505-L508 PolarHBondContact O-N 2.83Å; L508-N512 WeakPolarHBondContact O-CB 3.42Å; L508-N512 PolarHBondContact O-N 3.49Å; L508-N512 VanDerWaalsContact O-N 3.12Å |
| 509 | D | 35.9 | Very low | 44.8 | Very low | 90 Ų | 90 | 91.4 Ų | 91.4 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 179.3 | -66.8 | -42.8 | 0 | 0 | 0 | 112.1 | Q505 I511 N512 E513 | Q505-D509 PolarHBondContact O-N 2.89Å; D509-I511 VanDerWaalsContact C-N 3.35Å; D509-I511 PolarHBondContact O-N 3.32Å; D509-N512 PolarHBondContact O-N 3.04Å; D509-E513 PolarHBondContact O-N 3Å |
| 510 | D | 44.6 | Very low | 48 | Very low | 39 Ų | 39 | 88.2 Ų | 88.2 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 179 | -154.5 | 26.1 | 0 | 0 | 0 | 111.3 | N506 L514 | N506-D510 VanDerWaalsContact O-CB 3.25Å; N506-D510 WeakPolarHBondContact O-CB 3.43Å; N506-D510 PolarHBondContact O-N 3.12Å; N506-D510 VanDerWaalsContact O-N 3.14Å; D510-L514 VanDerWaalsContact O-CB 3.27Å; D510-L514 WeakPolarHBondContact O-CB 3.43Å; D510-L514 WeakPolarHBondContact O-CD1 3.48Å; D510-L514 WeakPolarHBondContact O-CG 3.34Å; D510-L514 PolarHBondContact O-N 3.09Å |
| 511 | I | 49.2 | Very low | 51.2 | Low | 112 Ų | 112 | 84.1 Ų | 84.1 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -41.6 | 175.4 | -64.1 | 171.8 | 0 | 0 | 0 | 111.2 | V507 D509 L514 S515 | V507-I511 WeakPolarHBondContact O-CD1 3.4Å; V507-I511 WeakPolarHBondContact O-CG1 3.37Å; D509-I511 VanDerWaalsContact C-N 3.35Å; D509-I511 PolarHBondContact O-N 3.32Å; I511-L514 PolarHBondContact O-N 2.89Å; I511-S515 WeakPolarHBondContact O-CB 3.39Å; I511-S515 PolarHBondContact O-N 3.47Å |
| 512 | N | 42.9 | Very low | 54.2 | Low | 98 Ų | 98 | 79.1 Ų | 79.1 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | -178.9 | -164.9 | 48.8 | 0 | 0 | 0 | 111.6 | L508 D509 S515 | L508-N512 WeakPolarHBondContact O-CB 3.42Å; L508-N512 PolarHBondContact O-N 3.49Å; L508-N512 VanDerWaalsContact O-N 3.12Å; D509-N512 PolarHBondContact O-N 3.04Å; N512-S515 PolarHBondContact O-N 2.89Å; N512-S515 PolarHBondContact O-OG 2.85Å |
| 513 | E | 55.2 | Low | 57.2 | Low | 125 Ų | 125 | 80.4 Ų | 80.4 | 58% | 0.584 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.9 | -39.9 | 175.7 | -170.4 | 172.1 | -122.6 | 0 | 0 | 111.9 | D509 H516 | D509-E513 PolarHBondContact O-N 3Å; E513-H516 PolarHBondContact O-N 2.8Å |
| 514 | L | 67.1 | Low | 60.3 | Low | 9 Ų | 9 | 77.3 Ų | 77.3 | 5% | 0.047 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.1 | -30.5 | 175.2 | -72.6 | 171.2 | 0 | 0 | 0 | 113.7 | D510 I511 H516 A517 W519 Y520 L624 | D510-L514 VanDerWaalsContact O-CB 3.27Å; D510-L514 WeakPolarHBondContact O-CB 3.43Å; D510-L514 WeakPolarHBondContact O-CD1 3.48Å; D510-L514 WeakPolarHBondContact O-CG 3.34Å; D510-L514 PolarHBondContact O-N 3.09Å; I511-L514 PolarHBondContact O-N 2.89Å; L514-H516 PolarHBondContact O-N 2.84Å; L514-H516 VanDerWaalsContact O-N 3.17Å; L514-A517 WeakPolarHBondContact O-CB 3.45Å; L514-A517 PolarHBondContact O-N 3.4Å; L514-W519 HydrophobicContact CD2-CH2 3.57Å; L514-W519 HydrophobicContact CD2-CZ3 3.98Å; L514-Y520 HydrophobicContact CB-CD1 3.99Å; L514-Y520 HydrophobicContact CB-CE1 4.39Å; L514-Y520 HydrophobicContact CB-CG 4.3Å; L514-Y520 HydrophobicContact CD2-CD2 4.35Å; L514-Y520 HydrophobicContact CD2-CG 4.26Å; L514-L624 HydrophobicContact CD1-CB 4.25Å; L514-L624 HydrophobicContact CD1-CD2 3.89Å; L514-L624 HydrophobicContact CD2-CB 4.12Å; L514-L624 HydrophobicContact CD2-CD2 3.75Å; L514-L624 HydrophobicContact CD2-CG 4.06Å |
| 515 | S | 60 | Low | 63.2 | Low | 78 Ų | 78 | 77.3 Ų | 77.3 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -25.1 | 179 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | I511 N512 | I511-S515 WeakPolarHBondContact O-CB 3.39Å; I511-S515 PolarHBondContact O-N 3.47Å; N512-S515 PolarHBondContact O-N 2.89Å; N512-S515 PolarHBondContact O-OG 2.85Å |
| 516 | H | 61.6 | Low | 66.1 | Low | 148 Ų | 148 | 76.7 Ų | 76.7 | 69% | 0.685 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 0.8 | 177.3 | -67.2 | -54.8 | 0 | 0 | 0 | 113.8 | E513 L514 P518 | E513-H516 PolarHBondContact O-N 2.8Å; L514-H516 PolarHBondContact O-N 2.84Å; L514-H516 VanDerWaalsContact O-N 3.17Å; H516-P518 WeakPolarHBondContact O-CD 3.48Å |
| 517 | A | 69.8 | Low | 68.9 | Low | 13 Ų | 13 | 76.2 Ų | 76.2 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | trans | -87.5 | 111.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L514 W519 Y520 | L514-A517 WeakPolarHBondContact O-CB 3.45Å; L514-A517 PolarHBondContact O-N 3.4Å; A517-W519 HydrophobicContact CB-CD2 4.07Å; A517-W519 HydrophobicContact CB-CH2 4.23Å; A517-W519 HydrophobicContact CB-CZ2 3.77Å; A517-W519 PolarHBondContact O-N 2.85Å; A517-Y520 PolarHBondContact O-N 2.83Å | ||
| 518 | P | 77.3 | Confident | 71.6 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -1.6 | -174.9 | 30.4 | -37.5 | 0 | 0 | 0 | 114.5 | H516 | H516-P518 WeakPolarHBondContact O-CD 3.48Š|
| 519 | W | 86.8 | Confident | 74.3 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -7 | 173 | 51.5 | -102 | 0 | 0 | 0 | 113.3 | L514 A517 F541 V543 L624 A625 V628 L644 P645 | L514-W519 HydrophobicContact CD2-CH2 3.57Å; L514-W519 HydrophobicContact CD2-CZ3 3.98Å; A517-W519 HydrophobicContact CB-CD2 4.07Å; A517-W519 HydrophobicContact CB-CH2 4.23Å; A517-W519 HydrophobicContact CB-CZ2 3.77Å; A517-W519 PolarHBondContact O-N 2.85Å; W519-F541 HydrophobicContact CB-CD2 4.38Å; W519-F541 HydrophobicContact CB-CE2 3.61Å; W519-F541 HydrophobicContact CB-CZ 3.75Å; W519-F541 AromaticContact CD2-CE2 3.97Å; W519-F541 HydrophobicContact CD2-CE2 3.97Å; W519-F541 HydrophobicContact CD2-CZ 4.19Å; W519-F541 HydrophobicContact CE3-CE2 4.1Å; W519-F541 AromaticContact CG-CE2 3.79Å; W519-F541 HydrophobicContact CG-CE2 3.79Å; W519-F541 AromaticContact CG-CZ 3.75Å; W519-F541 HydrophobicContact CG-CZ 3.75Å; W519-V543 HydrophobicContact CE3-CB 4.12Å; W519-V543 HydrophobicContact CE3-CG2 3.95Å; W519-V543 HydrophobicContact CZ3-CB 4.25Å; W519-V543 HydrophobicContact CZ3-CG2 4.12Å; W519-V543 PolarHBondContact O-N 3Å; W519-L624 HydrophobicContact CH2-CG 4.29Å; W519-L624 HydrophobicContact CZ3-CD2 4.29Å; W519-L624 HydrophobicContact CZ3-CG 4.21Å; W519-A625 HydrophobicContact CZ2-CB 4.47Å; W519-V628 HydrophobicContact CD2-CG1 4.17Å; W519-V628 HydrophobicContact CE3-CG1 4.45Å; W519-V628 HydrophobicContact CE3-CG2 4.17Å; W519-V628 HydrophobicContact CH2-CB 4.11Å; W519-V628 HydrophobicContact CH2-CG1 4.37Å; W519-V628 HydrophobicContact CH2-CG2 3.85Å; W519-V628 HydrophobicContact CZ2-CB 4.16Å; W519-V628 HydrophobicContact CZ2-CG1 4.05Å; W519-V628 HydrophobicContact CZ2-CG2 4.36Å; W519-V628 HydrophobicContact CZ3-CB 4.43Å; W519-V628 HydrophobicContact CZ3-CG2 3.75Å; W519-L644 HydrophobicContact CG-CD2 4.48Å; W519-P645 HydrophobicContact CB-CG 4.07Å |
| 520 | Y | 92.3 | Very high | 77 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 13% | 0.129 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -101 | 114.2 | 175.7 | -171.9 | -104.2 | 0 | 0 | 0 | 109.7 | L514 A517 P522 V543 D545 F553 L624 | L514-Y520 HydrophobicContact CB-CD1 3.99Å; L514-Y520 HydrophobicContact CB-CE1 4.39Å; L514-Y520 HydrophobicContact CB-CG 4.3Å; L514-Y520 HydrophobicContact CD2-CD2 4.35Å; L514-Y520 HydrophobicContact CD2-CG 4.26Å; A517-Y520 PolarHBondContact O-N 2.83Å; Y520-P522 HydrophobicContact CD1-CG 4.41Å; Y520-P522 HydrophobicContact CE1-CB 3.77Å; Y520-P522 HydrophobicContact CE1-CG 3.85Å; Y520-V543 WeakPolarHBondContact CA-O 3.5Å; Y520-V543 HydrophobicContact CD2-CB 4.07Å; Y520-V543 HydrophobicContact CD2-CG1 3.98Å; Y520-V543 HydrophobicContact CE2-CG1 4.12Å; Y520-D545 PolarHBondContact OH-OD2 3.41Å; Y520-D545 VanDerWaalsContact OH-OD2 3.07Å; Y520-F553 AromaticContact CE2-CD1 3.88Å; Y520-F553 HydrophobicContact CE2-CD1 3.88Å; Y520-F553 AromaticContact CE2-CE1 3.97Å; Y520-F553 HydrophobicContact CE2-CE1 3.97Å; Y520-F553 VanDerWaalsContact OH-CE1 3.28Å; Y520-F553 WeakPolarHBondContact OH-CE1 3.37Å; Y520-L624 HydrophobicContact CD2-CD2 3.84Å; Y520-L624 HydrophobicContact CE2-CD2 3.8Å |
| 521 | L | 91.1 | Very high | 79.1 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | trans | -132.3 | 84.5 | -177.9 | -62.8 | 175.7 | 0 | 0 | 0 | 108 | D523 L524 M532 V542 V543 R544 I652 | L521-D523 PolarHBondContact O-N 3.35Å; L521-L524 HydrophobicContact CB-CB 3.85Å; L521-L524 HydrophobicContact CB-CD2 4.22Å; L521-L524 HydrophobicContact CD1-CD2 4.03Å; L521-L524 VanDerWaalsContact O-CB 3.3Å; L521-L524 WeakPolarHBondContact O-CB 3.49Å; L521-L524 PolarHBondContact O-N 2.86Å; L521-M532 HydrophobicContact CD1-CE 4.1Å; L521-V542 HydrophobicContact CB-CG2 4.02Å; L521-V542 HydrophobicContact CD1-CG2 3.86Å; L521-V542 HydrophobicContact CG-CG2 4.08Å; L521-V543 PolarHBondContact N-O 2.91Å; L521-R544 WeakPolarHBondContact O-CA 3.4Å; L521-R544 WeakPolarHBondContact O-CB 3.43Å; L521-I652 HydrophobicContact CD1-CD1 3.82Å; L521-I652 HydrophobicContact CD2-CD1 3.57Å; L521-I652 HydrophobicContact CG-CD1 4.39Å | ||
| 522 | P | 89.5 | Confident | 81 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -53.3 | -166.5 | 18.5 | -29.4 | 0 | 0 | 0 | 112.4 | Y520 L524 D545 | Y520-P522 HydrophobicContact CD1-CG 4.41Å; Y520-P522 HydrophobicContact CE1-CB 3.77Å; Y520-P522 HydrophobicContact CE1-CG 3.85Å; P522-L524 PolarHBondContact O-N 3.37Å; P522-D545 WeakPolarHBondContact CB-OD2 3.42Å; P522-D545 PolarHBondContact O-N 3.46Å |
| 523 | D | 89.1 | Confident | 83.3 | Confident | 151 Ų | 151 | 61 Ų | 61 | 81% | 0.807 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.4 | -176 | -51.4 | -77 | 0 | 0 | 0 | 114.8 | L521 P525 | L521-D523 PolarHBondContact O-N 3.35Å; D523-P525 VanDerWaalsContact O-CD 3.25Å; D523-P525 WeakPolarHBondContact O-CD 3.38Å |
| 524 | L | 91.2 | Very high | 84.8 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | trans | -72.1 | 116.5 | -175.7 | -174.3 | 71.6 | 0 | 0 | 0 | 110.9 | L521 P522 K528 A529 M532 V542 R544 | L521-L524 HydrophobicContact CB-CB 3.85Å; L521-L524 HydrophobicContact CB-CD2 4.22Å; L521-L524 HydrophobicContact CD1-CD2 4.03Å; L521-L524 VanDerWaalsContact O-CB 3.3Å; L521-L524 WeakPolarHBondContact O-CB 3.49Å; L521-L524 PolarHBondContact O-N 2.86Å; P522-L524 PolarHBondContact O-N 3.37Å; L524-K528 HydrophobicContact CD1-CB 3.85Å; L524-K528 HydrophobicContact CD1-CG 3.77Å; L524-K528 HydrophobicContact CG-CB 4.49Å; L524-A529 HydrophobicContact CD2-CB 3.79Å; L524-A529 HydrophobicContact CG-CB 4.33Å; L524-M532 HydrophobicContact CD1-SD 3.77Å; L524-M532 HydrophobicContact CD2-SD 3.95Å; L524-V542 HydrophobicContact CD2-CB 4.5Å; L524-V542 HydrophobicContact CD2-CG1 4.04Å; L524-V542 HydrophobicContact CD2-CG2 3.82Å; L524-R544 HydrophobicContact CB-CB 4.3Å; L524-R544 WeakPolarHBondContact O-CD 3.5Å | ||
| 525 | P | 91.8 | Very high | 85.6 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | trans | -66.6 | 151.5 | 176.9 | 27.2 | -33.9 | 0 | 0 | 0 | 111.3 | D523 E527 K528 A529 | D523-P525 VanDerWaalsContact O-CD 3.25Å; D523-P525 WeakPolarHBondContact O-CD 3.38Å; P525-E527 PolarHBondContact O-N 2.86Å; P525-E527 VanDerWaalsContact O-N 3.16Å; P525-K528 HydrophobicContact CG-CB 3.91Å; P525-K528 PolarHBondContact O-N 3.18Å; P525-K528 VanDerWaalsContact O-N 3.1Å; P525-A529 PolarHBondContact O-N 3.29Å | ||
| 526 | R | 91.8 | Very high | 86.8 | Confident | 114 Ų | 114 | 64 Ų | 64 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.7 | -39.2 | -176.1 | 175.2 | -174.4 | 176.2 | -134.9 | -0.1 | 112.1 | A529 L530 H601 | R526-A529 WeakPolarHBondContact O-CB 3.38Å; R526-A529 PolarHBondContact O-N 2.98Å; R526-L530 HydrophobicContact CG-CD1 4.32Å; R526-L530 WeakPolarHBondContact O-CG 3.35Å; R526-L530 PolarHBondContact O-N 3.28Å; R526-H601 PolarHBondContact NE-NE2 3.5Å; R526-H601 PolarHBondContact NH2-NE2 2.71Å |
| 527 | E | 91.4 | Very high | 87.9 | Confident | 115 Ų | 115 | 59.9 Ų | 59.9 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | -175.2 | -68.6 | 56.5 | -124.6 | 0 | 0 | 110.5 | P525 L530 E531 | P525-E527 PolarHBondContact O-N 2.86Å; P525-E527 VanDerWaalsContact O-N 3.16Å; E527-L530 WeakPolarHBondContact O-CB 3.39Å; E527-L530 PolarHBondContact O-N 3.44Å; E527-E531 PolarHBondContact O-N 3.1Å |
| 528 | K | 90 | Very high | 88.5 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.9 | -36.5 | 173 | -164.2 | 72.4 | -170.1 | 174.4 | 0 | 111.8 | L524 P525 L530 E531 M532 | L524-K528 HydrophobicContact CD1-CB 3.85Å; L524-K528 HydrophobicContact CD1-CG 3.77Å; L524-K528 HydrophobicContact CG-CB 4.49Å; P525-K528 HydrophobicContact CG-CB 3.91Å; P525-K528 PolarHBondContact O-N 3.18Å; P525-K528 VanDerWaalsContact O-N 3.1Å; K528-L530 VanDerWaalsContact C-N 3.28Å; K528-L530 PolarHBondContact O-N 3Å; K528-E531 WeakPolarHBondContact CD-OE2 3.29Å; K528-E531 WeakPolarHBondContact CE-OE2 3.2Å; K528-E531 IonicContact NZ-OE1 2.68Å; K528-E531 PolarHBondContact NZ-OE1 2.98Å; K528-E531 IonicContact NZ-OE2 2.69Å; K528-E531 PolarHBondContact NZ-OE2 3.21Å; K528-E531 PolarHBondContact O-N 2.71Å; K528-M532 HydrophobicContact CG-CG 4.4Å; K528-M532 HydrophobicContact CG-SD 4.1Å; K528-M532 WeakPolarHBondContact O-CB 3.2Å; K528-M532 VanDerWaalsContact O-CG 3.27Å; K528-M532 WeakPolarHBondContact O-CG 3.49Å; K528-M532 PolarHBondContact O-N 3.06Å |
| 529 | A | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | L524 P525 R526 L533 V542 | L524-A529 HydrophobicContact CD2-CB 3.79Å; L524-A529 HydrophobicContact CG-CB 4.33Å; P525-A529 PolarHBondContact O-N 3.29Å; R526-A529 WeakPolarHBondContact O-CB 3.38Å; R526-A529 PolarHBondContact O-N 2.98Å; A529-L533 WeakPolarHBondContact O-CB 3.44Å; A529-L533 WeakPolarHBondContact O-CG 3.47Å; A529-L533 PolarHBondContact O-N 2.56Å; A529-L533 VanDerWaalsContact O-N 3.15Å; A529-V542 HydrophobicContact CB-CG1 3.75Å |
| 530 | L | 91.7 | Very high | 89.1 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 172.3 | -72.8 | 169.1 | 0 | 0 | 0 | 111.7 | R526 E527 K528 M532 L533 A534 I599 | R526-L530 HydrophobicContact CG-CD1 4.32Å; R526-L530 WeakPolarHBondContact O-CG 3.35Å; R526-L530 PolarHBondContact O-N 3.28Å; E527-L530 WeakPolarHBondContact O-CB 3.39Å; E527-L530 PolarHBondContact O-N 3.44Å; K528-L530 VanDerWaalsContact C-N 3.28Å; K528-L530 PolarHBondContact O-N 3Å; L530-M532 PolarHBondContact O-N 3.46Å; L530-L533 PolarHBondContact O-N 3.17Å; L530-A534 VanDerWaalsContact O-CB 3.29Å; L530-A534 WeakPolarHBondContact O-CB 3.21Å; L530-A534 PolarHBondContact O-N 3.2Å; L530-I599 HydrophobicContact CB-CD1 4.39Å; L530-I599 HydrophobicContact CD2-CB 3.74Å; L530-I599 HydrophobicContact CD2-CD1 3.8Å; L530-I599 HydrophobicContact CD2-CG1 4.37Å; L530-I599 HydrophobicContact CD2-CG2 3.87Å; L530-I599 WeakPolarHBondContact O-CD1 3.44Å |
| 531 | E | 89.4 | Confident | 89.2 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 43% | 0.425 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.1 | -167.9 | -151.3 | 126.5 | 0 | 0 | 112.6 | E527 K528 | E527-E531 PolarHBondContact O-N 3.1Å; K528-E531 WeakPolarHBondContact CD-OE2 3.29Å; K528-E531 WeakPolarHBondContact CE-OE2 3.2Å; K528-E531 IonicContact NZ-OE1 2.68Å; K528-E531 PolarHBondContact NZ-OE1 2.98Å; K528-E531 IonicContact NZ-OE2 2.69Å; K528-E531 PolarHBondContact NZ-OE2 3.21Å; K528-E531 PolarHBondContact O-N 2.71Å |
| 532 | M | 89.1 | Confident | 89.3 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 15% | 0.148 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 179.4 | -72 | 168.7 | 74.3 | 0 | 0 | 111.4 | L521 L524 K528 L530 Q536 P651 I652 | L521-M532 HydrophobicContact CD1-CE 4.1Å; L524-M532 HydrophobicContact CD1-SD 3.77Å; L524-M532 HydrophobicContact CD2-SD 3.95Å; K528-M532 HydrophobicContact CG-CG 4.4Å; K528-M532 HydrophobicContact CG-SD 4.1Å; K528-M532 WeakPolarHBondContact O-CB 3.2Å; K528-M532 VanDerWaalsContact O-CG 3.27Å; K528-M532 WeakPolarHBondContact O-CG 3.49Å; K528-M532 PolarHBondContact O-N 3.06Å; L530-M532 PolarHBondContact O-N 3.46Å; M532-Q536 WeakPolarHBondContact O-CG 3.27Å; M532-P651 HydrophobicContact CE-CB 4.02Å; M532-P651 HydrophobicContact CE-CG 4.24Å; M532-I652 HydrophobicContact CE-CG1 4.27Å |
| 533 | L | 90.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.4 | -21.3 | -176.6 | -70.3 | 177.2 | 0 | 0 | 0 | 113.7 | A529 L530 K535 Q536 V542 S556 R558 I599 | A529-L533 WeakPolarHBondContact O-CB 3.44Å; A529-L533 WeakPolarHBondContact O-CG 3.47Å; A529-L533 PolarHBondContact O-N 2.56Å; A529-L533 VanDerWaalsContact O-N 3.15Å; L530-L533 PolarHBondContact O-N 3.17Å; L533-K535 PolarHBondContact O-N 3.07Å; L533-Q536 HydrophobicContact CD2-CG 4.46Å; L533-Q536 WeakPolarHBondContact O-CB 3.14Å; L533-Q536 PolarHBondContact O-N 3.3Å; L533-V542 HydrophobicContact CD1-CG1 4.11Å; L533-S556 VanDerWaalsContact CD1-O 3.26Å; L533-S556 WeakPolarHBondContact CD1-O 3.47Å; L533-R558 HydrophobicContact CB-CB 4.46Å; L533-R558 VanDerWaalsContact O-CD 3.25Å; L533-R558 WeakPolarHBondContact O-CD 3.25Å; L533-R558 PolarHBondContact O-NE 2.89Å; L533-I599 HydrophobicContact CB-CD1 3.79Å; L533-I599 HydrophobicContact CB-CG1 4.26Å; L533-I599 HydrophobicContact CD1-CG2 4.09Å |
| 534 | A | 87.4 | Confident | 89.7 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -26.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L530 R558 I599 | L530-A534 VanDerWaalsContact O-CB 3.29Å; L530-A534 WeakPolarHBondContact O-CB 3.21Å; L530-A534 PolarHBondContact O-N 3.2Å; A534-R558 PolarHBondContact O-NH2 3.31Å; A534-I599 HydrophobicContact CB-CD1 4.24Å |
| 535 | K | 83.2 | Confident | 89.9 | Confident | 167 Ų | 167 | 50.9 Ų | 50.9 | 73% | 0.726 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1 | 178.2 | -60.6 | 172.7 | -173.9 | 166.8 | 0 | 113.5 | L533 | L533-K535 PolarHBondContact O-N 3.07Š|
| 536 | Q | 85.6 | Confident | 89.9 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -101.5 | 159.8 | -171.9 | -63.8 | -63.2 | -25.8 | 0 | 0 | 112.5 | M532 L533 R558 | M532-Q536 WeakPolarHBondContact O-CG 3.27Å; L533-Q536 HydrophobicContact CD2-CG 4.46Å; L533-Q536 WeakPolarHBondContact O-CB 3.14Å; L533-Q536 PolarHBondContact O-N 3.3Å; Q536-R558 VanDerWaalsContact O-CG 3.31Å; Q536-R558 WeakPolarHBondContact O-CG 3.43Å; Q536-R558 PolarHBondContact O-NE 3.45Å; Q536-R558 VanDerWaalsContact O-NE 3.15Å |
| 537 | P | 84.6 | Confident | 89.7 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 162 | 175.8 | 30.2 | -36.2 | 0 | 0 | 0 | 112.9 | G539 S540 R558 | P537-G539 PolarHBondContact O-N 2.74Å; P537-S540 WeakPolarHBondContact O-CB 3.43Å; P537-S540 PolarHBondContact O-N 2.86Å; P537-S540 PolarHBondContact O-OG 3.18Å; P537-R558 WeakPolarHBondContact O-CG 3.33Å |
| 538 | P | 83.1 | Confident | 89.5 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 137.6 | 171.6 | -26 | 35.9 | 0 | 0 | 0 | 112.7 | R558 R643 | P538-R558 WeakPolarHBondContact CA-O 3.34Å; P538-R643 PolarHBondContact O-NH1 2.86Å |
| 539 | G | 85.6 | Confident | 89.4 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -22.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P537 R558 P641 L642 R643 | P537-G539 PolarHBondContact O-N 2.74Å; G539-R558 PolarHBondContact N-O 3.47Å; G539-P641 WeakPolarHBondContact CA-O 3.31Å; G539-L642 WeakPolarHBondContact O-CA 3.44Å; G539-R643 PolarHBondContact O-N 3.36Å |
| 540 | S | 89.8 | Confident | 89.2 | Confident | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 141.2 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | P537 R558 | P537-S540 WeakPolarHBondContact O-CB 3.43Å; P537-S540 PolarHBondContact O-N 2.86Å; P537-S540 PolarHBondContact O-OG 3.18Å; S540-R558 VanDerWaalsContact O-CB 3.26Å; S540-R558 WeakPolarHBondContact O-CB 3.34Å; S540-R558 PolarHBondContact O-N 2.82Å |
| 541 | F | 94.1 | Very high | 89 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 167.9 | -173.6 | 73.3 | -81.3 | 0 | 0 | 0 | 113.4 | W519 V543 L555 S556 V557 V628 L642 R643 L644 | W519-F541 HydrophobicContact CB-CD2 4.38Å; W519-F541 HydrophobicContact CB-CE2 3.61Å; W519-F541 HydrophobicContact CB-CZ 3.75Å; W519-F541 AromaticContact CD2-CE2 3.97Å; W519-F541 HydrophobicContact CD2-CE2 3.97Å; W519-F541 HydrophobicContact CD2-CZ 4.19Å; W519-F541 HydrophobicContact CE3-CE2 4.1Å; W519-F541 AromaticContact CG-CE2 3.79Å; W519-F541 HydrophobicContact CG-CE2 3.79Å; W519-F541 AromaticContact CG-CZ 3.75Å; W519-F541 HydrophobicContact CG-CZ 3.75Å; F541-V543 HydrophobicContact CD2-CG2 4.24Å; F541-V543 HydrophobicContact CE2-CG2 4.24Å; F541-L555 HydrophobicContact CB-CD1 3.98Å; F541-L555 HydrophobicContact CD2-CD1 3.6Å; F541-L555 HydrophobicContact CE2-CD1 4.49Å; F541-L555 HydrophobicContact CG-CD1 4.12Å; F541-S556 CarbonylContact C-O 3.58Å; F541-S556 WeakPolarHBondContact CA-O 3.24Å; F541-S556 VanDerWaalsContact CB-O 3.27Å; F541-S556 WeakPolarHBondContact CB-O 3.2Å; F541-V557 HydrophobicContact CB-CG2 4.28Å; F541-V628 HydrophobicContact CE1-CG1 4.48Å; F541-V628 HydrophobicContact CE2-CG1 3.7Å; F541-V628 HydrophobicContact CE2-CG2 4.4Å; F541-V628 HydrophobicContact CZ-CG1 3.43Å; F541-V628 VanDerWaalsContact CZ-CG1 3.43Å; F541-L642 HydrophobicContact CB-CD2 3.88Å; F541-L642 HydrophobicContact CD1-CB 3.74Å; F541-L642 HydrophobicContact CD1-CD1 4.07Å; F541-L642 HydrophobicContact CD1-CD2 3.95Å; F541-L642 HydrophobicContact CD1-CG 4.13Å; F541-L642 HydrophobicContact CD2-CD1 4.13Å; F541-L642 HydrophobicContact CE1-CB 3.79Å; F541-L642 HydrophobicContact CE1-CD1 4.12Å; F541-L642 HydrophobicContact CE1-CG 4.43Å; F541-L642 HydrophobicContact CE2-CD1 4.19Å; F541-L642 HydrophobicContact CG-CB 4.48Å; F541-L642 HydrophobicContact CG-CD1 4.07Å; F541-L642 HydrophobicContact CG-CD2 3.92Å; F541-L642 HydrophobicContact CG-CG 4.39Å; F541-L642 HydrophobicContact CZ-CD1 4.2Å; F541-R643 WeakPolarHBondContact CD1-O 3.39Å; F541-R643 VanDerWaalsContact CE1-O 3.3Å; F541-R643 WeakPolarHBondContact CE1-O 3.26Å; F541-L644 HydrophobicContact CZ-CD2 4.16Å |
| 542 | V | 93.2 | Very high | 89.1 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.4 | 164.6 | 65.2 | 0 | 0 | 0 | 0 | 109.4 | L521 L524 A529 L533 S556 | L521-V542 HydrophobicContact CB-CG2 4.02Å; L521-V542 HydrophobicContact CD1-CG2 3.86Å; L521-V542 HydrophobicContact CG-CG2 4.08Å; L524-V542 HydrophobicContact CD2-CB 4.5Å; L524-V542 HydrophobicContact CD2-CG1 4.04Å; L524-V542 HydrophobicContact CD2-CG2 3.82Å; A529-V542 HydrophobicContact CB-CG1 3.75Å; L533-V542 HydrophobicContact CD1-CG1 4.11Å; V542-S556 PolarHBondContact N-O 3.5Å; V542-S556 PolarHBondContact O-N 2.88Å |
| 543 | V | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.4 | 165.9 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | W519 Y520 L521 F541 F553 L555 L624 V628 | W519-V543 HydrophobicContact CE3-CB 4.12Å; W519-V543 HydrophobicContact CE3-CG2 3.95Å; W519-V543 HydrophobicContact CZ3-CB 4.25Å; W519-V543 HydrophobicContact CZ3-CG2 4.12Å; W519-V543 PolarHBondContact O-N 3Å; Y520-V543 WeakPolarHBondContact CA-O 3.5Å; Y520-V543 HydrophobicContact CD2-CB 4.07Å; Y520-V543 HydrophobicContact CD2-CG1 3.98Å; Y520-V543 HydrophobicContact CE2-CG1 4.12Å; L521-V543 PolarHBondContact N-O 2.91Å; F541-V543 HydrophobicContact CD2-CG2 4.24Å; F541-V543 HydrophobicContact CE2-CG2 4.24Å; V543-F553 HydrophobicContact CG1-CB 3.81Å; V543-F553 HydrophobicContact CG1-CG 4.45Å; V543-L555 HydrophobicContact CG2-CB 4.38Å; V543-L555 HydrophobicContact CG2-CD1 3.77Å; V543-L624 HydrophobicContact CG1-CD1 4.34Å; V543-L624 HydrophobicContact CG1-CD2 3.99Å; V543-V628 HydrophobicContact CG2-CG2 4.1Å |
| 544 | R | 94.2 | Very high | 89.7 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 169.7 | -179.1 | 54.4 | 166.8 | -177.1 | 85.8 | 0.7 | 109.6 | L521 L524 F553 A554 | L521-R544 WeakPolarHBondContact O-CA 3.4Å; L521-R544 WeakPolarHBondContact O-CB 3.43Å; L524-R544 HydrophobicContact CB-CB 4.3Å; L524-R544 WeakPolarHBondContact O-CD 3.5Å; R544-F553 CarbonylContact O-C 3.53Å; R544-F553 WeakPolarHBondContact O-CA 3.31Å; R544-A554 HydrophobicContact CG-CB 4.23Å; R544-A554 WeakPolarHBondContact CG-O 3.26Å; R544-A554 PolarHBondContact N-O 3.27Å; R544-A554 VanDerWaalsContact N-O 3.14Å; R544-A554 PolarHBondContact O-N 2.88Å |
| 545 | D | 94.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 149 | 171.5 | -81.4 | -61.1 | 0 | 0 | 0 | 111.6 | Y520 P522 G547 F553 | Y520-D545 PolarHBondContact OH-OD2 3.41Å; Y520-D545 VanDerWaalsContact OH-OD2 3.07Å; P522-D545 WeakPolarHBondContact CB-OD2 3.42Å; P522-D545 PolarHBondContact O-N 3.46Å; D545-G547 PolarHBondContact O-N 3.4Å; D545-F553 WeakPolarHBondContact OD1-CD1 3.34Å |
| 546 | S | 92.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | trans | -92 | 92.4 | -177 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | S548 H549 S552 L603 | S546-S548 PolarHBondContact O-N 3.24Å; S546-H549 CarbonylContact O-C 3.54Å; S546-H549 PolarHBondContact O-N 2.77Å; S546-S552 WeakPolarHBondContact CB-O 3.33Å; S546-S552 PolarHBondContact N-O 2.95Å; S546-L603 WeakPolarHBondContact OG-CD1 3.19Å | ||
| 547 | G | 86.8 | Confident | 90.9 | Very high | 87 Ų | 87 | 36.5 Ų | 36.5 | 90% | 0.897 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | D545 | D545-G547 PolarHBondContact O-N 3.4Š|
| 548 | S | 87 | Confident | 91.3 | Very high | 95 Ų | 95 | 35.4 Ų | 35.4 | 66% | 0.664 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -7 | 172.4 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | S546 | S546-S548 PolarHBondContact O-N 3.24Š|
| 549 | H | 89.1 | Confident | 91.3 | Very high | 80 Ų | 80 | 33.6 Ų | 33.6 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -142.4 | 104 | -177.1 | -69.8 | 74 | 0 | 0 | 0 | 110 | S546 S552 L603 | S546-H549 CarbonylContact O-C 3.54Å; S546-H549 PolarHBondContact O-N 2.77Å; H549-S552 WeakPolarHBondContact O-CB 3.36Å; H549-S552 PolarHBondContact O-N 3.27Å; H549-L603 HydrophobicContact CB-CD1 3.77Å; H549-L603 HydrophobicContact CB-CD2 4.39Å; H549-L603 VanDerWaalsContact CD2-CD2 3.42Å; H549-L603 WeakPolarHBondContact CD2-CD2 3.33Å |
| 550 | P | 86.2 | Confident | 90.7 | Very high | 122 Ų | 122 | 37.6 Ų | 37.6 | 79% | 0.792 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 146.2 | -175.7 | 24.5 | -33.9 | 0 | 0 | 0 | 112.4 | S552 | P550-S552 PolarHBondContact O-N 3.14Å; P550-S552 VanDerWaalsContact O-N 3.1Å; P550-S552 PolarHBondContact O-OG 3.23Å |
| 551 | N | 87.5 | Confident | 89.4 | Confident | 114 Ų | 114 | 39.1 Ų | 39.1 | 61% | 0.61 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 28.2 | -178.8 | -159.1 | 29.9 | 0 | 0 | 0 | 114.6 | K606 | N551-K606 WeakPolarHBondContact O-CD 3.49Å; N551-K606 WeakPolarHBondContact O-CG 3.32Å; N551-K606 WeakPolarHBondContact OD1-CD 3.47Å; N551-K606 WeakPolarHBondContact OD1-CE 3.46Å; N551-K606 PolarHBondContact OD1-NZ 3.01Å |
| 552 | S | 93.1 | Very high | 87.3 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.4 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | S546 H549 P550 I604 | S546-S552 WeakPolarHBondContact CB-O 3.33Å; S546-S552 PolarHBondContact N-O 2.95Å; H549-S552 WeakPolarHBondContact O-CB 3.36Å; H549-S552 PolarHBondContact O-N 3.27Å; P550-S552 PolarHBondContact O-N 3.14Å; P550-S552 VanDerWaalsContact O-N 3.1Å; P550-S552 PolarHBondContact O-OG 3.23Å; S552-I604 CarbonylContact C-O 3.41Å; S552-I604 WeakPolarHBondContact CA-O 3.36Å; S552-I604 WeakPolarHBondContact CB-O 3.11Å |
| 553 | F | 95.8 | Very high | 84.6 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 159.3 | 178.1 | -44.6 | -73.7 | 0 | 0 | 0 | 111.1 | Y520 V543 R544 D545 I604 K606 V612 L624 | Y520-F553 AromaticContact CE2-CD1 3.88Å; Y520-F553 HydrophobicContact CE2-CD1 3.88Å; Y520-F553 AromaticContact CE2-CE1 3.97Å; Y520-F553 HydrophobicContact CE2-CE1 3.97Å; Y520-F553 VanDerWaalsContact OH-CE1 3.28Å; Y520-F553 WeakPolarHBondContact OH-CE1 3.37Å; V543-F553 HydrophobicContact CG1-CB 3.81Å; V543-F553 HydrophobicContact CG1-CG 4.45Å; R544-F553 CarbonylContact O-C 3.53Å; R544-F553 WeakPolarHBondContact O-CA 3.31Å; D545-F553 WeakPolarHBondContact OD1-CD1 3.34Å; F553-I604 HydrophobicContact CB-CB 4.21Å; F553-I604 HydrophobicContact CD2-CB 4.48Å; F553-I604 HydrophobicContact CD2-CG2 4.14Å; F553-I604 PolarHBondContact N-O 3.42Å; F553-I604 PolarHBondContact O-N 3.15Å; F553-K606 HydrophobicContact CE2-CD 4.38Å; F553-K606 VanDerWaalsContact CE2-CE 3.45Å; F553-K606 HydrophobicContact CE2-CG 4.05Å; F553-K606 HydrophobicContact CZ-CD 4.45Å; F553-V612 HydrophobicContact CE2-CG1 4.22Å; F553-L624 HydrophobicContact CD1-CD2 4.31Å; F553-L624 HydrophobicContact CD2-CD1 4.13Å; F553-L624 HydrophobicContact CD2-CD2 3.82Å; F553-L624 HydrophobicContact CD2-CG 4.47Å; F553-L624 HydrophobicContact CE1-CD2 4.26Å; F553-L624 HydrophobicContact CE2-CB 4.32Å; F553-L624 HydrophobicContact CE2-CD1 4.46Å; F553-L624 HydrophobicContact CE2-CD2 3.76Å; F553-L624 HydrophobicContact CE2-CG 4.4Å; F553-L624 HydrophobicContact CG-CD2 4.08Å; F553-L624 HydrophobicContact CZ-CD2 3.95Å |
| 554 | A | 95.3 | Very high | 81.7 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R544 | R544-A554 HydrophobicContact CG-CB 4.23Å; R544-A554 WeakPolarHBondContact CG-O 3.26Å; R544-A554 PolarHBondContact N-O 3.27Å; R544-A554 VanDerWaalsContact N-O 3.14Å; R544-A554 PolarHBondContact O-N 2.88Å |
| 555 | L | 95.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.5 | 170.3 | 169.9 | 65.3 | 0 | 0 | 0 | 108.9 | F541 V543 V557 H601 F602 I604 L614 L631 L638 L642 | F541-L555 HydrophobicContact CB-CD1 3.98Å; F541-L555 HydrophobicContact CD2-CD1 3.6Å; F541-L555 HydrophobicContact CE2-CD1 4.49Å; F541-L555 HydrophobicContact CG-CD1 4.12Å; V543-L555 HydrophobicContact CG2-CB 4.38Å; V543-L555 HydrophobicContact CG2-CD1 3.77Å; L555-V557 HydrophobicContact CD1-CG2 3.88Å; L555-V557 HydrophobicContact CD2-CG2 3.96Å; L555-V557 HydrophobicContact CG-CG2 3.66Å; L555-H601 CarbonylContact O-C 3.56Å; L555-H601 VanDerWaalsContact O-CA 3.31Å; L555-H601 WeakPolarHBondContact O-CA 3.5Å; L555-F602 HydrophobicContact CB-CB 4.44Å; L555-F602 PolarHBondContact N-O 3.35Å; L555-F602 PolarHBondContact O-N 2.93Å; L555-I604 HydrophobicContact CB-CD1 3.83Å; L555-I604 HydrophobicContact CB-CG1 4.34Å; L555-L614 HydrophobicContact CD2-CD1 4.33Å; L555-L631 HydrophobicContact CD2-CD1 4.02Å; L555-L638 HydrophobicContact CD2-CD1 4.45Å; L555-L638 HydrophobicContact CD2-CD2 4.07Å; L555-L642 HydrophobicContact CD1-CD1 4.28Å; L555-L642 HydrophobicContact CD2-CD1 4.45Å |
| 556 | S | 94.1 | Very high | 75.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.7 | 175 | -52.5 | 0 | 0 | 0 | 0 | 109 | L533 F541 V542 T600 H601 | L533-S556 VanDerWaalsContact CD1-O 3.26Å; L533-S556 WeakPolarHBondContact CD1-O 3.47Å; F541-S556 CarbonylContact C-O 3.58Å; F541-S556 WeakPolarHBondContact CA-O 3.24Å; F541-S556 VanDerWaalsContact CB-O 3.27Å; F541-S556 WeakPolarHBondContact CB-O 3.2Å; V542-S556 PolarHBondContact N-O 3.5Å; V542-S556 PolarHBondContact O-N 2.88Å; S556-T600 WeakPolarHBondContact CA-O 3.39Å; S556-H601 WeakPolarHBondContact CB-ND1 3.5Å; S556-H601 PolarHBondContact OG-ND1 3.48Å |
| 557 | V | 93.1 | Very high | 72.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.4 | -169.8 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | F541 L555 S559 I599 T600 F602 L638 L642 | F541-V557 HydrophobicContact CB-CG2 4.28Å; L555-V557 HydrophobicContact CD1-CG2 3.88Å; L555-V557 HydrophobicContact CD2-CG2 3.96Å; L555-V557 HydrophobicContact CG-CG2 3.66Å; V557-S559 PolarHBondContact O-N 3.36Å; V557-I599 CarbonylContact O-C 3.6Å; V557-I599 VanDerWaalsContact O-CA 3.32Å; V557-I599 WeakPolarHBondContact O-CA 3.36Å; V557-T600 PolarHBondContact N-O 2.74Å; V557-T600 PolarHBondContact O-N 3.4Å; V557-T600 PolarHBondContact O-OG1 3.23Å; V557-F602 HydrophobicContact CG2-CD2 4.22Å; V557-F602 HydrophobicContact CG2-CE2 4.26Å; V557-L638 HydrophobicContact CG2-CD2 4.2Å; V557-L642 HydrophobicContact CB-CD2 4.38Å; V557-L642 HydrophobicContact CG1-CD2 3.7Å; V557-L642 HydrophobicContact CG2-CD2 3.72Å |
| 558 | R | 91.6 | Very high | 69.2 | Low | 38 Ų | 38 | 64.2 Ų | 64.2 | 14% | 0.143 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 116.5 | 172.9 | -176.3 | 51.2 | 164.9 | 164.8 | -10.8 | 110.1 | L533 A534 Q536 P537 P538 G539 S540 N561 S597 G598 | L533-R558 HydrophobicContact CB-CB 4.46Å; L533-R558 VanDerWaalsContact O-CD 3.25Å; L533-R558 WeakPolarHBondContact O-CD 3.25Å; L533-R558 PolarHBondContact O-NE 2.89Å; A534-R558 PolarHBondContact O-NH2 3.31Å; Q536-R558 VanDerWaalsContact O-CG 3.31Å; Q536-R558 WeakPolarHBondContact O-CG 3.43Å; Q536-R558 PolarHBondContact O-NE 3.45Å; Q536-R558 VanDerWaalsContact O-NE 3.15Å; P537-R558 WeakPolarHBondContact O-CG 3.33Å; P538-R558 WeakPolarHBondContact CA-O 3.34Å; G539-R558 PolarHBondContact N-O 3.47Å; S540-R558 VanDerWaalsContact O-CB 3.26Å; S540-R558 WeakPolarHBondContact O-CB 3.34Å; S540-R558 PolarHBondContact O-N 2.82Å; R558-N561 PolarHBondContact NH1-OD1 3.23Å; R558-S597 PolarHBondContact NH1-O 2.91Å; R558-G598 PolarHBondContact NH1-O 3.22Å |
| 559 | S | 84.6 | Confident | 66.3 | Low | 15 Ų | 15 | 69.9 Ų | 69.9 | 11% | 0.105 | 45% | 0.446 | C | S | . | . | trans | -95.7 | 164 | 177 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | V557 N561 G598 T600 P639 | V557-S559 PolarHBondContact O-N 3.36Å; S559-N561 PolarHBondContact O-N 3.42Å; S559-N561 PolarHBondContact O-OD1 3.1Å; S559-G598 PolarHBondContact N-O 2.84Å; S559-T600 PolarHBondContact OG-OG1 2.91Å; S559-P639 WeakPolarHBondContact OG-CG 3.31Å | ||
| 560 | S | 72.4 | Confident | 63.6 | Low | 87 Ų | 87 | 74.1 Ų | 74.1 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | trans | -79.6 | 101.6 | 163.8 | 40.3 | 0 | 0 | 0 | 0 | 110 | G562 | S560-G562 PolarHBondContact O-N 3.49Š| ||
| 561 | N | 62.6 | Low | 60.8 | Low | 49 Ų | 49 | 73 Ų | 73 | 26% | 0.262 | 46% | 0.46 | S | S | . | . | trans | -58.9 | 112.5 | 173.5 | -52.1 | 39.2 | 0 | 0 | 0 | 109.5 | R558 S559 Q563 S597 G598 | R558-N561 PolarHBondContact NH1-OD1 3.23Å; S559-N561 PolarHBondContact O-N 3.42Å; S559-N561 PolarHBondContact O-OD1 3.1Å; N561-Q563 PolarHBondContact O-N 2.86Å; N561-S597 PolarHBondContact ND2-O 3.08Å; N561-G598 WeakPolarHBondContact ND2-CA 3.37Å; N561-G598 WeakPolarHBondContact OD1-CA 3.4Å | ||
| 562 | G | 49.5 | Very low | 57.9 | Low | 64 Ų | 64 | 79.8 Ų | 79.8 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -70.2 | 24.1 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | S560 | S560-G562 PolarHBondContact O-N 3.49Š|
| 563 | Q | 35.9 | Very low | 55 | Low | 170 Ų | 170 | 87.3 Ų | 87.3 | 79% | 0.794 | 51% | 0.511 | S | S | * | . | trans | -150.6 | 80.7 | -168.9 | -70.8 | -63.8 | -64.8 | 0 | 0 | 109.5 | N561 | N561-Q563 PolarHBondContact O-N 2.86Š| ||
| 564 | V | 35.2 | Very low | 51.8 | Low | 134 Ų | 134 | 92.6 Ų | 92.6 | 81% | 0.812 | 55% | 0.546 | S | S | * | . | trans | -143.9 | 140.3 | 160.1 | -105 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 565 | A | 27.5 | Very low | 48.6 | Very low | 100 Ų | 100 | 101.4 Ų | 101.4 | 83% | 0.826 | 59% | 0.586 | S | S | * | * | trans | -84.3 | 153.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 566 | G | 25.6 | Very low | 46 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | trans | 50.2 | 69.9 | 151 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 567 | G | 25.7 | Very low | 43.1 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -131.3 | 36.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117 | F569 | G567-F569 PolarHBondContact O-N 2.94Š| ||
| 568 | C | 25.5 | Very low | 40.3 | Very low | 108 Ų | 108 | 119 Ų | 119 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | 31.7 | 55.8 | 158.4 | -63.5 | 0 | 0 | 0 | 0 | 120.8 | H570 | C568-H570 PolarHBondContact O-N 2.9Å; C568-H570 PolarHBondContact O-ND1 3.25Å | ||
| 569 | F | 26.5 | Very low | 37.6 | Very low | 215 Ų | 215 | 124.7 Ų | 124.7 | 94% | 0.943 | 74% | 0.737 | S | S | * | * | trans | -74.1 | 105 | 162.4 | -108.3 | -88.2 | 0 | 0 | 0 | 111 | G567 S571 | G567-F569 PolarHBondContact O-N 2.94Å; F569-S571 PolarHBondContact O-N 2.92Å | ||
| 570 | H | 32.6 | Very low | 35.3 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -79.2 | 105.4 | -177.3 | -86.4 | 79.4 | 0 | 0 | 0 | 113.1 | C568 | C568-H570 PolarHBondContact O-N 2.9Å; C568-H570 PolarHBondContact O-ND1 3.25Å | ||
| 571 | S | 28.2 | Very low | 33.9 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 42.7 | 102.1 | 143.3 | -164.3 | 0 | 0 | 0 | 0 | 119.4 | F569 | F569-S571 PolarHBondContact O-N 2.92Š| ||
| 572 | R | 26.5 | Very low | 32.8 | Very low | 256 Ų | 256 | 143.4 Ų | 143.4 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | -139.3 | 93.8 | 121.8 | -78.8 | -157.7 | 177.1 | -139.9 | -1.2 | 110.2 | |||||
| 573 | Q | 30.5 | Very low | 32.3 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -133.5 | 127.8 | 172.4 | -173.4 | 173.6 | 0.5 | 0 | 0 | 109.7 | ||||
| 574 | P | 29.4 | Very low | 32.7 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 151.4 | 173.6 | 31.1 | -33.4 | 0 | 0 | 0 | 111.5 | ||||
| 575 | H | 28.2 | Very low | 33 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -73.7 | 127.8 | -168.4 | -56.2 | -100.5 | 0 | 0 | 0 | 114.3 | ||||
| 576 | I | 40.8 | Very low | 33.6 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -142.9 | 126.6 | 145.3 | -55.2 | -179.2 | 0 | 0 | 0 | 108.4 | ||||
| 577 | P | 33.4 | Very low | 34.2 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -92.9 | 130.8 | 170.7 | 34.1 | -29.5 | 0 | 0 | 0 | 111.6 | ||||
| 578 | G | 35 | Very low | 34.9 | Very low | 79 Ų | 79 | 148.6 Ų | 148.6 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | -168.3 | 123 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 579 | N | 35.2 | Very low | 35.7 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -85 | 164 | -175.7 | -166.5 | 5.7 | 0 | 0 | 0 | 112.1 | ||||
| 580 | R | 35.1 | Very low | 36.4 | Very low | 227 Ų | 227 | 140.6 Ų | 140.6 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | 80.3 | 54.5 | 171.6 | -47.1 | -174.9 | -174 | -143.2 | 6.4 | 119.4 | ||||
| 581 | I | 42.6 | Very low | 37.1 | Very low | 136 Ų | 136 | 138 Ų | 138 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | trans | -138.5 | 114.9 | 149.2 | -52.9 | 179.4 | 0 | 0 | 0 | 109.6 | T584 | I581-T584 VanDerWaalsContact CG2-OG1 3.26Å; I581-T584 WeakPolarHBondContact CG2-OG1 3.37Å | ||
| 582 | K | 40.7 | Very low | 38 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | trans | -130.9 | -14.8 | 166.2 | -84.2 | -169.6 | 171.7 | -176.3 | 0 | 114.3 | ||||
| 583 | D | 37.8 | Very low | 39.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -99.2 | -9.9 | -159.9 | -45.2 | -75.3 | 0 | 0 | 0 | 114.5 | ||
| 584 | T | 45.6 | Very low | 39.7 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92 | -13.7 | -177.2 | 44.5 | 0 | 0 | 0 | 0 | 115.1 | I581 | I581-T584 VanDerWaalsContact CG2-OG1 3.26Å; I581-T584 WeakPolarHBondContact CG2-OG1 3.37Å |
| 585 | V | 41 | Very low | 41 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -81.6 | -27.2 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | Q587 | V585-Q587 VanDerWaalsContact C-N 3.35Å; V585-Q587 PolarHBondContact O-N 3.42Å |
| 586 | S | 39.9 | Very low | 42.7 | Very low | 78 Ų | 78 | 122 Ų | 122 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -76 | -14.5 | -174.7 | -52 | 0 | 0 | 0 | 0 | 115.1 | T589 | S586-T589 PolarHBondContact O-OG1 2.79Å; S586-T589 VanDerWaalsContact O-OG1 3.05Å |
| 587 | Q | 38.2 | Very low | 44.4 | Very low | 151 Ų | 151 | 116 Ų | 116 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -80 | -33.7 | -175.9 | -64.7 | -168 | 10.7 | 0 | 0 | 113 | V585 T589 S590 | V585-Q587 VanDerWaalsContact C-N 3.35Å; V585-Q587 PolarHBondContact O-N 3.42Å; Q587-T589 VanDerWaalsContact C-N 3.26Å; Q587-T589 PolarHBondContact O-N 2.7Å; Q587-S590 PolarHBondContact O-N 2.95Å |
| 588 | L | 40.3 | Very low | 46.9 | Very low | 156 Ų | 156 | 110.5 Ų | 110.5 | 82% | 0.817 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -70.2 | -23.7 | -178.5 | -135.7 | 74.4 | 0 | 0 | 0 | 112.9 | ||
| 589 | T | 43.3 | Very low | 49.6 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -83.8 | -10.8 | 180 | 41.5 | 0 | 0 | 0 | 0 | 114.8 | S586 Q587 V591 | S586-T589 PolarHBondContact O-OG1 2.79Å; S586-T589 VanDerWaalsContact O-OG1 3.05Å; Q587-T589 VanDerWaalsContact C-N 3.26Å; Q587-T589 PolarHBondContact O-N 2.7Å; T589-V591 PolarHBondContact O-N 3.15Å |
| 590 | S | 41.1 | Very low | 52.2 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 44% | 0.441 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -81.3 | -5.3 | -174.3 | -176 | 0 | 0 | 0 | 0 | 115.1 | R382 Q587 | R382-S590 PolarHBondContact NH2-OG 2.85Å; Q587-S590 PolarHBondContact O-N 2.95Å |
| 591 | V | 46.7 | Very low | 54.9 | Low | 114 Ų | 114 | 91.6 Ų | 91.6 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -75.6 | -33 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | T589 | T589-V591 PolarHBondContact O-N 3.15Š|
| 592 | Y | 46.9 | Very low | 57.4 | Low | 82 Ų | 82 | 86.4 Ų | 86.4 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -95.1 | 138.5 | 178.1 | -58.8 | -68 | 0 | 0 | 0 | 110.4 | S594 M637 L638 P639 | Y592-S594 PolarHBondContact O-N 3.45Å; Y592-M637 WeakPolarHBondContact CE1-O 3.34Å; Y592-L638 PolarHBondContact OH-O 3.36Å; Y592-P639 HydrophobicContact CD1-CB 4.43Å; Y592-P639 HydrophobicContact CD2-CB 4.07Å; Y592-P639 HydrophobicContact CE1-CB 4.28Å; Y592-P639 HydrophobicContact CE2-CB 3.9Å; Y592-P639 HydrophobicContact CG-CB 4.34Å |
| 593 | P | 50 | Low | 60 | Low | 103 Ų | 103 | 79 Ų | 79 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | trans | -62.1 | 114.4 | 173.3 | 26.2 | -32.9 | 0 | 0 | 0 | 108.8 | S595 | P593-S595 VanDerWaalsContact C-N 3.28Å; P593-S595 PolarHBondContact O-N 3.41Å | ||
| 594 | S | 43.4 | Very low | 62.8 | Low | 114 Ų | 114 | 72.9 Ų | 72.9 | 80% | 0.797 | 43% | 0.431 | S | S | * | . | trans | -72.5 | 78.8 | -173.1 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | Y592 T596 | Y592-S594 PolarHBondContact O-N 3.45Å; S594-T596 PolarHBondContact O-N 2.92Å | ||
| 595 | S | 56.6 | Low | 65.1 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | trans | -63.3 | 132.5 | 170.3 | 67.8 | 0 | 0 | 0 | 0 | 109.2 | P593 S597 G598 I599 | P593-S595 VanDerWaalsContact C-N 3.28Å; P593-S595 PolarHBondContact O-N 3.41Å; S595-S597 PolarHBondContact O-N 3.04Å; S595-S597 VanDerWaalsContact O-N 3.1Å; S595-G598 PolarHBondContact O-N 3.45Å; S595-G598 PolarHBondContact OG-N 2.85Å; S595-I599 WeakPolarHBondContact CB-O 3.44Å; S595-I599 PolarHBondContact OG-N 3.22Å; S595-I599 PolarHBondContact OG-O 2.9Å | ||
| 596 | T | 63.5 | Low | 67.6 | Low | 151 Ų | 151 | 69.3 Ų | 69.3 | 93% | 0.926 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.2 | -178.7 | 48.6 | 0 | 0 | 0 | 0 | 113 | S594 | S594-T596 PolarHBondContact O-N 2.92Š|
| 597 | S | 76.5 | Confident | 70 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -28 | 173.4 | -169.1 | 0 | 0 | 0 | 0 | 113.5 | R558 N561 S595 I599 | R558-S597 PolarHBondContact NH1-O 2.91Å; N561-S597 PolarHBondContact ND2-O 3.08Å; S595-S597 PolarHBondContact O-N 3.04Å; S595-S597 VanDerWaalsContact O-N 3.1Å; S597-I599 VanDerWaalsContact OG-CD1 3.27Å; S597-I599 WeakPolarHBondContact OG-CD1 3.5Å |
| 598 | G | 86.3 | Confident | 72.3 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 75.5 | 37.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R558 S559 N561 S595 | R558-G598 PolarHBondContact NH1-O 3.22Å; S559-G598 PolarHBondContact N-O 2.84Å; N561-G598 WeakPolarHBondContact ND2-CA 3.37Å; N561-G598 WeakPolarHBondContact OD1-CA 3.4Å; S595-G598 PolarHBondContact O-N 3.45Å; S595-G598 PolarHBondContact OG-N 2.85Å |
| 599 | I | 89.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.6 | 173.9 | -58.7 | 165.4 | 0 | 0 | 0 | 106.9 | L530 L533 A534 V557 S595 S597 | L530-I599 HydrophobicContact CB-CD1 4.39Å; L530-I599 HydrophobicContact CD2-CB 3.74Å; L530-I599 HydrophobicContact CD2-CD1 3.8Å; L530-I599 HydrophobicContact CD2-CG1 4.37Å; L530-I599 HydrophobicContact CD2-CG2 3.87Å; L530-I599 WeakPolarHBondContact O-CD1 3.44Å; L533-I599 HydrophobicContact CB-CD1 3.79Å; L533-I599 HydrophobicContact CB-CG1 4.26Å; L533-I599 HydrophobicContact CD1-CG2 4.09Å; A534-I599 HydrophobicContact CB-CD1 4.24Å; V557-I599 CarbonylContact O-C 3.6Å; V557-I599 VanDerWaalsContact O-CA 3.32Å; V557-I599 WeakPolarHBondContact O-CA 3.36Å; S595-I599 WeakPolarHBondContact CB-O 3.44Å; S595-I599 PolarHBondContact OG-N 3.22Å; S595-I599 PolarHBondContact OG-O 2.9Å; S597-I599 VanDerWaalsContact OG-CD1 3.27Å; S597-I599 WeakPolarHBondContact OG-CD1 3.5Å |
| 600 | T | 91.3 | Very high | 76.4 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.055 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.8 | 179.3 | 38.9 | 0 | 0 | 0 | 0 | 109.4 | S556 V557 S559 F602 | S556-T600 WeakPolarHBondContact CA-O 3.39Å; V557-T600 PolarHBondContact N-O 2.74Å; V557-T600 PolarHBondContact O-N 3.4Å; V557-T600 PolarHBondContact O-OG1 3.23Å; S559-T600 PolarHBondContact OG-OG1 2.91Å; T600-F602 WeakPolarHBondContact OG1-CE2 3.35Å |
| 601 | H | 92.3 | Very high | 78.7 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 27% | 0.269 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140 | 174.1 | -53.2 | -73.7 | 0 | 0 | 0 | 109.9 | R526 L555 S556 | R526-H601 PolarHBondContact NE-NE2 3.5Å; R526-H601 PolarHBondContact NH2-NE2 2.71Å; L555-H601 CarbonylContact O-C 3.56Å; L555-H601 VanDerWaalsContact O-CA 3.31Å; L555-H601 WeakPolarHBondContact O-CA 3.5Å; S556-H601 WeakPolarHBondContact CB-ND1 3.5Å; S556-H601 PolarHBondContact OG-ND1 3.48Å |
| 602 | F | 94.9 | Very high | 80.9 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.4 | 176.6 | -57.8 | -94 | 0 | 0 | 0 | 109.1 | L555 V557 T600 L614 M637 L638 | L555-F602 HydrophobicContact CB-CB 4.44Å; L555-F602 PolarHBondContact N-O 3.35Å; L555-F602 PolarHBondContact O-N 2.93Å; V557-F602 HydrophobicContact CG2-CD2 4.22Å; V557-F602 HydrophobicContact CG2-CE2 4.26Å; T600-F602 WeakPolarHBondContact OG1-CE2 3.35Å; F602-L614 HydrophobicContact CB-CD1 3.67Å; F602-L614 HydrophobicContact CB-CG 4.42Å; F602-L614 HydrophobicContact CG-CD1 4.44Å; F602-M637 WeakPolarHBondContact CE1-O 3.43Å; F602-L638 HydrophobicContact CD1-CD2 4.13Å; F602-L638 HydrophobicContact CD2-CD2 3.47Å; F602-L638 VanDerWaalsContact CD2-CD2 3.47Å; F602-L638 HydrophobicContact CE1-CD2 4Å; F602-L638 HydrophobicContact CE2-CD2 3.32Å; F602-L638 HydrophobicContact CG-CD2 3.89Å; F602-L638 HydrophobicContact CZ-CD2 3.62Å |
| 603 | L | 95.5 | Very high | 83.1 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134 | 174.2 | -176.4 | 74.6 | 0 | 0 | 0 | 109.2 | S546 H549 Q605 K615 | S546-L603 WeakPolarHBondContact OG-CD1 3.19Å; H549-L603 HydrophobicContact CB-CD1 3.77Å; H549-L603 HydrophobicContact CB-CD2 4.39Å; H549-L603 VanDerWaalsContact CD2-CD2 3.42Å; H549-L603 WeakPolarHBondContact CD2-CD2 3.33Å; L603-Q605 HydrophobicContact CD2-CG 4.03Å; L603-Q605 HydrophobicContact CG-CG 4.3Å; L603-K615 HydrophobicContact CB-CB 3.82Å; L603-K615 HydrophobicContact CB-CG 4.33Å; L603-K615 HydrophobicContact CD2-CB 4.44Å; L603-K615 HydrophobicContact CD2-CD 4.14Å; L603-K615 HydrophobicContact CD2-CG 4.31Å; L603-K615 HydrophobicContact CG-CB 4.47Å; L603-K615 WeakPolarHBondContact O-CB 3.43Å; L603-K615 PolarHBondContact O-N 2.92Å |
| 604 | I | 96.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117 | 170.4 | -61.7 | 170.6 | 0 | 0 | 0 | 107.1 | S552 F553 L555 V612 K613 L614 L624 L627 | S552-I604 CarbonylContact C-O 3.41Å; S552-I604 WeakPolarHBondContact CA-O 3.36Å; S552-I604 WeakPolarHBondContact CB-O 3.11Å; F553-I604 HydrophobicContact CB-CB 4.21Å; F553-I604 HydrophobicContact CD2-CB 4.48Å; F553-I604 HydrophobicContact CD2-CG2 4.14Å; F553-I604 PolarHBondContact N-O 3.42Å; F553-I604 PolarHBondContact O-N 3.15Å; L555-I604 HydrophobicContact CB-CD1 3.83Å; L555-I604 HydrophobicContact CB-CG1 4.34Å; I604-V612 HydrophobicContact CG2-CB 3.9Å; I604-V612 HydrophobicContact CG2-CG1 4.36Å; I604-K613 CarbonylContact C-O 3.57Å; I604-K613 WeakPolarHBondContact CA-O 3.41Å; I604-L614 HydrophobicContact CG1-CD1 3.78Å; I604-L624 HydrophobicContact CD1-CD1 3.8Å; I604-L624 HydrophobicContact CG2-CD1 4.28Å; I604-L627 HydrophobicContact CB-CD2 4.41Å; I604-L627 HydrophobicContact CD1-CD2 3.77Å; I604-L627 HydrophobicContact CG1-CD2 3.94Å; I604-L627 HydrophobicContact CG2-CD2 3.58Å |
| 605 | Q | 94 | Very high | 87.4 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132 | 178.1 | -56 | -160.5 | -104.3 | 0 | 0 | 109.7 | L603 V612 K613 K615 | L603-Q605 HydrophobicContact CD2-CG 4.03Å; L603-Q605 HydrophobicContact CG-CG 4.3Å; Q605-V612 CarbonylContact O-C 3.55Å; Q605-V612 WeakPolarHBondContact O-CA 3.24Å; Q605-K613 PolarHBondContact N-O 2.98Å; Q605-K613 PolarHBondContact O-N 3.22Å; Q605-K615 HydrophobicContact CG-CD 4.2Å |
| 606 | K | 92.9 | Very high | 88.9 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 149.6 | 161.4 | -63.4 | -178.1 | -168.6 | 173.2 | 0 | 109.4 | N551 F553 G611 V612 | N551-K606 WeakPolarHBondContact O-CD 3.49Å; N551-K606 WeakPolarHBondContact O-CG 3.32Å; N551-K606 WeakPolarHBondContact OD1-CD 3.47Å; N551-K606 WeakPolarHBondContact OD1-CE 3.46Å; N551-K606 PolarHBondContact OD1-NZ 3.01Å; F553-K606 HydrophobicContact CE2-CD 4.38Å; F553-K606 VanDerWaalsContact CE2-CE 3.45Å; F553-K606 HydrophobicContact CE2-CG 4.05Å; F553-K606 HydrophobicContact CZ-CD 4.45Å; K606-G611 CarbonylContact C-O 3.56Å; K606-G611 WeakPolarHBondContact CA-O 3.29Å; K606-V612 HydrophobicContact CG-CG1 4.32Å |
| 607 | T | 90.3 | Very high | 89.9 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 15% | 0.153 | 27% | 0.267 | C | S | . | . | trans | -113 | 161 | -176.4 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | G609 G610 G611 K613 E620 | T607-G609 PolarHBondContact O-N 3.03Å; T607-G610 PolarHBondContact O-N 3.27Å; T607-G610 VanDerWaalsContact O-N 3.07Å; T607-G611 PolarHBondContact N-O 3.39Å; T607-G611 PolarHBondContact OG1-N 3.25Å; T607-G611 PolarHBondContact OG1-O 2.97Å; T607-K613 HydrophobicContact CG2-CD 4.22Å; T607-K613 HydrophobicContact CG2-CG 3.96Å; T607-E620 VanDerWaalsContact CB-OE1 3.24Å; T607-E620 WeakPolarHBondContact CB-OE1 3.41Å; T607-E620 VanDerWaalsContact CG2-CD 3.41Å; T607-E620 HydrophobicContact CG2-CG 3.81Å; T607-E620 WeakPolarHBondContact CG2-OE2 3.48Å; T607-E620 VanDerWaalsContact OG1-CD 3.26Å; T607-E620 PolarHBondContact OG1-OE1 3.35Å | ||
| 608 | S | 86.9 | Confident | 90.3 | Very high | 140 Ų | 140 | 46.8 Ų | 46.8 | 98% | 0.979 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -12.1 | 177.7 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | G610 | S608-G610 VanDerWaalsContact C-N 3.33Š|
| 609 | G | 85.3 | Confident | 90.3 | Very high | 68 Ų | 68 | 51 Ų | 51 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T607 G611 | T607-G609 PolarHBondContact O-N 3.03Å; G609-G611 VanDerWaalsContact C-N 3.35Å |
| 610 | G | 84.3 | Confident | 90.2 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 86.5 | 0.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | T607 S608 | T607-G610 PolarHBondContact O-N 3.27Å; T607-G610 VanDerWaalsContact O-N 3.07Å; S608-G610 VanDerWaalsContact C-N 3.33Å |
| 611 | G | 89.2 | Confident | 90 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | trans | -89.6 | -168.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K606 T607 G609 W621 | K606-G611 CarbonylContact C-O 3.56Å; K606-G611 WeakPolarHBondContact CA-O 3.29Å; T607-G611 PolarHBondContact N-O 3.39Å; T607-G611 PolarHBondContact OG1-N 3.25Å; T607-G611 PolarHBondContact OG1-O 2.97Å; G609-G611 VanDerWaalsContact C-N 3.35Å; G611-W621 CarbonylContact C-O 3.59Å; G611-W621 WeakPolarHBondContact CA-O 3.4Å | ||
| 612 | V | 92.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.4 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | F553 I604 Q605 K606 W621 S623 L627 | F553-V612 HydrophobicContact CE2-CG1 4.22Å; I604-V612 HydrophobicContact CG2-CB 3.9Å; I604-V612 HydrophobicContact CG2-CG1 4.36Å; Q605-V612 CarbonylContact O-C 3.55Å; Q605-V612 WeakPolarHBondContact O-CA 3.24Å; K606-V612 HydrophobicContact CG-CG1 4.32Å; V612-W621 HydrophobicContact CG2-CB 4.22Å; V612-W621 PolarHBondContact N-O 3.4Å; V612-W621 PolarHBondContact O-N 3.02Å; V612-S623 WeakPolarHBondContact CG2-O 3.3Å; V612-L627 HydrophobicContact CB-CD2 4.4Å; V612-L627 HydrophobicContact CG2-CB 3.84Å; V612-L627 HydrophobicContact CG2-CD2 3.78Å; V612-L627 HydrophobicContact CG2-CG 4.48Å |
| 613 | K | 93.2 | Very high | 89.1 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.2 | 166.9 | 64.2 | -177.7 | -177 | 179.4 | 0 | 114.4 | I604 Q605 T607 K619 W621 | I604-K613 CarbonylContact C-O 3.57Å; I604-K613 WeakPolarHBondContact CA-O 3.41Å; Q605-K613 PolarHBondContact N-O 2.98Å; Q605-K613 PolarHBondContact O-N 3.22Å; T607-K613 HydrophobicContact CG2-CD 4.22Å; T607-K613 HydrophobicContact CG2-CG 3.96Å; K613-K619 WeakPolarHBondContact CB-O 3.13Å; K613-W621 HydrophobicContact CB-CE3 4.44Å; K613-W621 HydrophobicContact CB-CZ3 4.29Å |
| 614 | L | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.2 | 173.1 | -160.1 | 68.6 | 0 | 0 | 0 | 110 | L555 F602 I604 G616 L617 M637 L638 | L555-L614 HydrophobicContact CD2-CD1 4.33Å; F602-L614 HydrophobicContact CB-CD1 3.67Å; F602-L614 HydrophobicContact CB-CG 4.42Å; F602-L614 HydrophobicContact CG-CD1 4.44Å; I604-L614 HydrophobicContact CG1-CD1 3.78Å; L614-G616 PolarHBondContact O-N 3.39Å; L614-L617 HydrophobicContact CB-CB 4.39Å; L614-L617 PolarHBondContact O-N 3.42Å; L614-M637 HydrophobicContact CD2-CB 4.3Å; L614-L638 HydrophobicContact CD2-CD2 4.42Å |
| 615 | K | 91.6 | Very high | 88.1 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 45% | 0.452 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 117.8 | -179.3 | -175.3 | 73.9 | 171 | -164.7 | 0 | 110.5 | L603 Q605 | L603-K615 HydrophobicContact CB-CB 3.82Å; L603-K615 HydrophobicContact CB-CG 4.33Å; L603-K615 HydrophobicContact CD2-CB 4.44Å; L603-K615 HydrophobicContact CD2-CD 4.14Å; L603-K615 HydrophobicContact CD2-CG 4.31Å; L603-K615 HydrophobicContact CG-CB 4.47Å; L603-K615 WeakPolarHBondContact O-CB 3.43Å; L603-K615 PolarHBondContact O-N 2.92Å; Q605-K615 HydrophobicContact CG-CD 4.2Å |
| 616 | G | 87.4 | Confident | 87.5 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | -7.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L614 | L614-G616 PolarHBondContact O-N 3.39Š|
| 617 | L | 84.7 | Confident | 87.3 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | trans | -105.1 | 139.8 | 169.2 | -140.8 | 79.8 | 0 | 0 | 0 | 110.6 | L614 K619 W621 E636 M637 | L614-L617 HydrophobicContact CB-CB 4.39Å; L614-L617 PolarHBondContact O-N 3.42Å; L617-K619 HydrophobicContact CD2-CB 4.1Å; L617-K619 HydrophobicContact CD2-CD 3.88Å; L617-K619 HydrophobicContact CD2-CG 4.12Å; L617-W621 HydrophobicContact CD2-CH2 3.61Å; L617-W621 HydrophobicContact CD2-CZ2 4.39Å; L617-W621 HydrophobicContact CD2-CZ3 4.45Å; L617-E636 HydrophobicContact CD1-CB 4.3Å; L617-E636 HydrophobicContact CD2-CB 3.86Å; L617-E636 HydrophobicContact CD2-CG 3.96Å; L617-M637 HydrophobicContact CB-SD 4.25Å; L617-M637 HydrophobicContact CD1-CB 4.47Å; L617-M637 HydrophobicContact CD1-CG 3.68Å; L617-M637 HydrophobicContact CD1-SD 3.59Å; L617-M637 VanDerWaalsContact CD1-SD 3.59Å | ||
| 618 | D | 83.8 | Confident | 87.1 | Confident | 155 Ų | 155 | 52 Ų | 52 | 83% | 0.829 | 33% | 0.332 | S | S | * | . | trans | -82.9 | -15.5 | 179.7 | -64.8 | -47.5 | 0 | 0 | 0 | 113.8 | ||||
| 619 | K | 86.9 | Confident | 86.6 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | trans | -68.7 | 147.9 | 177.2 | -57.5 | 175.3 | -179.6 | 163.5 | 0 | 110.3 | K613 L617 W621 E636 | K613-K619 WeakPolarHBondContact CB-O 3.13Å; L617-K619 HydrophobicContact CD2-CB 4.1Å; L617-K619 HydrophobicContact CD2-CD 3.88Å; L617-K619 HydrophobicContact CD2-CG 4.12Å; K619-W621 HydrophobicContact CB-CE3 4.5Å; K619-W621 HydrophobicContact CB-CH2 3.91Å; K619-W621 HydrophobicContact CB-CZ2 4.25Å; K619-W621 HydrophobicContact CB-CZ3 4Å; K619-W621 WeakPolarHBondContact O-CZ3 3.5Å; K619-E636 IonicContact NZ-OE1 3.78Å; K619-E636 PolarHBondContact NZ-OE1 3.28Å; K619-E636 IonicContact NZ-OE2 3.65Å; K619-E636 PolarHBondContact NZ-OE2 3.03Å | ||
| 620 | E | 87.7 | Confident | 86.4 | Confident | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | trans | -132.2 | 138.4 | -178.6 | -167.7 | 169.2 | 140.1 | 0 | 0 | 108.9 | T607 | T607-E620 VanDerWaalsContact CB-OE1 3.24Å; T607-E620 WeakPolarHBondContact CB-OE1 3.41Å; T607-E620 VanDerWaalsContact CG2-CD 3.41Å; T607-E620 HydrophobicContact CG2-CG 3.81Å; T607-E620 WeakPolarHBondContact CG2-OE2 3.48Å; T607-E620 VanDerWaalsContact OG1-CD 3.26Å; T607-E620 PolarHBondContact OG1-OE1 3.35Å | ||
| 621 | W | 87 | Confident | 86.4 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -119.8 | 148.3 | -175.1 | -65.5 | -102.7 | 0 | 0 | 0 | 110 | G611 V612 K613 L617 K619 S623 L627 H630 | G611-W621 CarbonylContact C-O 3.59Å; G611-W621 WeakPolarHBondContact CA-O 3.4Å; V612-W621 HydrophobicContact CG2-CB 4.22Å; V612-W621 PolarHBondContact N-O 3.4Å; V612-W621 PolarHBondContact O-N 3.02Å; K613-W621 HydrophobicContact CB-CE3 4.44Å; K613-W621 HydrophobicContact CB-CZ3 4.29Å; L617-W621 HydrophobicContact CD2-CH2 3.61Å; L617-W621 HydrophobicContact CD2-CZ2 4.39Å; L617-W621 HydrophobicContact CD2-CZ3 4.45Å; K619-W621 HydrophobicContact CB-CE3 4.5Å; K619-W621 HydrophobicContact CB-CH2 3.91Å; K619-W621 HydrophobicContact CB-CZ2 4.25Å; K619-W621 HydrophobicContact CB-CZ3 4Å; K619-W621 WeakPolarHBondContact O-CZ3 3.5Å; W621-S623 VanDerWaalsContact C-N 3.33Å; W621-S623 PolarHBondContact O-N 3.11Å; W621-L627 HydrophobicContact CB-CB 4.08Å; W621-L627 HydrophobicContact CD2-CB 4.2Å; W621-L627 HydrophobicContact CD2-CD1 3.69Å; W621-L627 HydrophobicContact CD2-CG 4.49Å; W621-L627 HydrophobicContact CE3-CD1 3.67Å; W621-L627 HydrophobicContact CG-CB 4.03Å; W621-L627 HydrophobicContact CG-CD1 4.39Å; W621-L627 HydrophobicContact CH2-CD1 3.61Å; W621-L627 HydrophobicContact CZ2-CD1 3.69Å; W621-L627 HydrophobicContact CZ3-CD1 3.64Å; W621-H630 AromaticContact CE2-CG 3.96Å; W621-H630 AromaticContact CZ2-CD2 3.78Å; W621-H630 AromaticContact CZ2-NE2 3.94Å; W621-H630 AromaticContact NE1-CD2 3.93Å; W621-H630 AromaticContact NE1-CE1 3.93Å; W621-H630 AromaticContact NE1-CG 3.29Å; W621-H630 VanDerWaalsContact NE1-CG 3.29Å; W621-H630 AromaticContact NE1-ND1 3.28Å; W621-H630 PolarHBondContact NE1-ND1 2.79Å |
| 622 | P | 81.4 | Confident | 85.8 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -69.5 | -24.5 | -173.2 | 27.1 | -35.8 | 0 | 0 | 0 | 114.6 | C626 | P622-C626 HydrophobicContact CG-CB 4.07Š|
| 623 | S | 87 | Confident | 84.6 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -150.7 | 165 | 176.8 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | V612 W621 A625 C626 L627 | V612-S623 WeakPolarHBondContact CG2-O 3.3Å; W621-S623 VanDerWaalsContact C-N 3.33Å; W621-S623 PolarHBondContact O-N 3.11Å; S623-A625 VanDerWaalsContact C-N 3.33Å; S623-A625 PolarHBondContact O-N 3.36Å; S623-C626 WeakPolarHBondContact O-CB 3.47Å; S623-C626 PolarHBondContact O-N 3.19Å; S623-C626 PolarHBondContact OG-N 3.35Å; S623-L627 PolarHBondContact O-N 2.67Å; S623-L627 VanDerWaalsContact O-N 3.13Å |
| 624 | L | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.6 | 179.4 | 59.3 | 0 | 0 | 0 | 112.3 | L514 W519 Y520 V543 F553 I604 C626 L627 V628 | L514-L624 HydrophobicContact CD1-CB 4.25Å; L514-L624 HydrophobicContact CD1-CD2 3.89Å; L514-L624 HydrophobicContact CD2-CB 4.12Å; L514-L624 HydrophobicContact CD2-CD2 3.75Å; L514-L624 HydrophobicContact CD2-CG 4.06Å; W519-L624 HydrophobicContact CH2-CG 4.29Å; W519-L624 HydrophobicContact CZ3-CD2 4.29Å; W519-L624 HydrophobicContact CZ3-CG 4.21Å; Y520-L624 HydrophobicContact CD2-CD2 3.84Å; Y520-L624 HydrophobicContact CE2-CD2 3.8Å; V543-L624 HydrophobicContact CG1-CD1 4.34Å; V543-L624 HydrophobicContact CG1-CD2 3.99Å; F553-L624 HydrophobicContact CD1-CD2 4.31Å; F553-L624 HydrophobicContact CD2-CD1 4.13Å; F553-L624 HydrophobicContact CD2-CD2 3.82Å; F553-L624 HydrophobicContact CD2-CG 4.47Å; F553-L624 HydrophobicContact CE1-CD2 4.26Å; F553-L624 HydrophobicContact CE2-CB 4.32Å; F553-L624 HydrophobicContact CE2-CD1 4.46Å; F553-L624 HydrophobicContact CE2-CD2 3.76Å; F553-L624 HydrophobicContact CE2-CG 4.4Å; F553-L624 HydrophobicContact CG-CD2 4.08Å; F553-L624 HydrophobicContact CZ-CD2 3.95Å; I604-L624 HydrophobicContact CD1-CD1 3.8Å; I604-L624 HydrophobicContact CG2-CD1 4.28Å; L624-C626 VanDerWaalsContact C-N 3.32Å; L624-C626 PolarHBondContact O-N 3.1Å; L624-L627 HydrophobicContact CD1-CD2 4.46Å; L624-L627 PolarHBondContact O-N 3.12Å; L624-V628 HydrophobicContact CD1-CG2 4.34Å; L624-V628 WeakPolarHBondContact O-CG2 3.31Å; L624-V628 PolarHBondContact O-N 2.84Å |
| 625 | A | 82.7 | Confident | 83 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | W519 S623 V628 L629 | W519-A625 HydrophobicContact CZ2-CB 4.47Å; S623-A625 VanDerWaalsContact C-N 3.33Å; S623-A625 PolarHBondContact O-N 3.36Å; A625-V628 PolarHBondContact O-N 2.89Å; A625-L629 WeakPolarHBondContact O-CB 3.39Å; A625-L629 PolarHBondContact O-N 3.07Å |
| 626 | C | 83.1 | Confident | 82.8 | Confident | 42 Ų | 42 | 47 Ų | 47 | 28% | 0.284 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 178.1 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | P622 S623 L624 H630 | P622-C626 HydrophobicContact CG-CB 4.07Å; S623-C626 WeakPolarHBondContact O-CB 3.47Å; S623-C626 PolarHBondContact O-N 3.19Å; S623-C626 PolarHBondContact OG-N 3.35Å; L624-C626 VanDerWaalsContact C-N 3.32Å; L624-C626 PolarHBondContact O-N 3.1Å; C626-H630 WeakPolarHBondContact O-CB 3.42Å; C626-H630 PolarHBondContact O-N 2.98Å |
| 627 | L | 87.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 172.3 | 169.1 | 58.5 | 0 | 0 | 0 | 111.9 | I604 V612 W621 S623 L624 H630 L631 | I604-L627 HydrophobicContact CB-CD2 4.41Å; I604-L627 HydrophobicContact CD1-CD2 3.77Å; I604-L627 HydrophobicContact CG1-CD2 3.94Å; I604-L627 HydrophobicContact CG2-CD2 3.58Å; V612-L627 HydrophobicContact CB-CD2 4.4Å; V612-L627 HydrophobicContact CG2-CB 3.84Å; V612-L627 HydrophobicContact CG2-CD2 3.78Å; V612-L627 HydrophobicContact CG2-CG 4.48Å; W621-L627 HydrophobicContact CB-CB 4.08Å; W621-L627 HydrophobicContact CD2-CB 4.2Å; W621-L627 HydrophobicContact CD2-CD1 3.69Å; W621-L627 HydrophobicContact CD2-CG 4.49Å; W621-L627 HydrophobicContact CE3-CD1 3.67Å; W621-L627 HydrophobicContact CG-CB 4.03Å; W621-L627 HydrophobicContact CG-CD1 4.39Å; W621-L627 HydrophobicContact CH2-CD1 3.61Å; W621-L627 HydrophobicContact CZ2-CD1 3.69Å; W621-L627 HydrophobicContact CZ3-CD1 3.64Å; S623-L627 PolarHBondContact O-N 2.67Å; S623-L627 VanDerWaalsContact O-N 3.13Å; L624-L627 HydrophobicContact CD1-CD2 4.46Å; L624-L627 PolarHBondContact O-N 3.12Å; L627-H630 WeakPolarHBondContact O-CB 3.44Å; L627-H630 PolarHBondContact O-N 2.88Å; L627-L631 HydrophobicContact CD1-CD1 3.58Å; L627-L631 HydrophobicContact CD1-CG 3.94Å; L627-L631 HydrophobicContact CG-CD1 4.02Å; L627-L631 WeakPolarHBondContact O-CG 3.18Å; L627-L631 PolarHBondContact O-N 3.29Å |
| 628 | V | 85.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 179.6 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | W519 F541 V543 L624 A625 H630 L631 T632 L642 L644 | W519-V628 HydrophobicContact CD2-CG1 4.17Å; W519-V628 HydrophobicContact CE3-CG1 4.45Å; W519-V628 HydrophobicContact CE3-CG2 4.17Å; W519-V628 HydrophobicContact CH2-CB 4.11Å; W519-V628 HydrophobicContact CH2-CG1 4.37Å; W519-V628 HydrophobicContact CH2-CG2 3.85Å; W519-V628 HydrophobicContact CZ2-CB 4.16Å; W519-V628 HydrophobicContact CZ2-CG1 4.05Å; W519-V628 HydrophobicContact CZ2-CG2 4.36Å; W519-V628 HydrophobicContact CZ3-CB 4.43Å; W519-V628 HydrophobicContact CZ3-CG2 3.75Å; F541-V628 HydrophobicContact CE1-CG1 4.48Å; F541-V628 HydrophobicContact CE2-CG1 3.7Å; F541-V628 HydrophobicContact CE2-CG2 4.4Å; F541-V628 HydrophobicContact CZ-CG1 3.43Å; F541-V628 VanDerWaalsContact CZ-CG1 3.43Å; V543-V628 HydrophobicContact CG2-CG2 4.1Å; L624-V628 HydrophobicContact CD1-CG2 4.34Å; L624-V628 WeakPolarHBondContact O-CG2 3.31Å; L624-V628 PolarHBondContact O-N 2.84Å; A625-V628 PolarHBondContact O-N 2.89Å; V628-H630 PolarHBondContact O-N 3.42Å; V628-L631 PolarHBondContact O-N 3.02Å; V628-T632 WeakPolarHBondContact O-CG2 3.36Å; V628-T632 PolarHBondContact O-N 2.98Å; V628-L642 HydrophobicContact CG1-CD1 4.43Å; V628-L644 HydrophobicContact CG1-CD2 4.33Å |
| 629 | L | 77.2 | Confident | 82.7 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.6 | -50 | 174.1 | -90.4 | 157.8 | 0 | 0 | 0 | 111.9 | A625 L631 T632 | A625-L629 WeakPolarHBondContact O-CB 3.39Å; A625-L629 PolarHBondContact O-N 3.07Å; L629-L631 VanDerWaalsContact C-N 3.3Å; L629-L631 PolarHBondContact O-N 2.97Å; L629-T632 WeakPolarHBondContact O-CB 3.42Å; L629-T632 PolarHBondContact O-N 3.29Å; L629-T632 VanDerWaalsContact O-N 3.07Å; L629-T632 PolarHBondContact O-OG1 3.13Å |
| 630 | H | 80.4 | Confident | 82.5 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.5 | -47.4 | 176.6 | -177 | 107.8 | 0 | 0 | 0 | 112.1 | W621 C626 L627 V628 T632 V633 M634 E636 | W621-H630 AromaticContact CE2-CG 3.96Å; W621-H630 AromaticContact CZ2-CD2 3.78Å; W621-H630 AromaticContact CZ2-NE2 3.94Å; W621-H630 AromaticContact NE1-CD2 3.93Å; W621-H630 AromaticContact NE1-CE1 3.93Å; W621-H630 AromaticContact NE1-CG 3.29Å; W621-H630 VanDerWaalsContact NE1-CG 3.29Å; W621-H630 AromaticContact NE1-ND1 3.28Å; W621-H630 PolarHBondContact NE1-ND1 2.79Å; C626-H630 WeakPolarHBondContact O-CB 3.42Å; C626-H630 PolarHBondContact O-N 2.98Å; L627-H630 WeakPolarHBondContact O-CB 3.44Å; L627-H630 PolarHBondContact O-N 2.88Å; V628-H630 PolarHBondContact O-N 3.42Å; H630-T632 PolarHBondContact O-N 2.9Å; H630-V633 PolarHBondContact O-N 2.96Å; H630-M634 VanDerWaalsContact CE1-CE 3.48Å; H630-M634 WeakPolarHBondContact CE1-CE 3.27Å; H630-M634 PolarHBondContact O-N 3.5Å; H630-E636 IonicContact CD2-OE1 2.71Å; H630-E636 IonicContact CE1-OE1 2.77Å; H630-E636 PolarHBondContact CE1-OE1 2.87Å; H630-E636 IonicContact NE2-OE1 3.41Å; H630-E636 PolarHBondContact NE2-OE1 2.88Å |
| 631 | L | 83.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.3 | -12.6 | -178.5 | -67.7 | 173 | 0 | 0 | 0 | 114 | L555 L627 V628 L629 V633 M634 E636 L638 P641 L642 | L555-L631 HydrophobicContact CD2-CD1 4.02Å; L627-L631 HydrophobicContact CD1-CD1 3.58Å; L627-L631 HydrophobicContact CD1-CG 3.94Å; L627-L631 HydrophobicContact CG-CD1 4.02Å; L627-L631 WeakPolarHBondContact O-CG 3.18Å; L627-L631 PolarHBondContact O-N 3.29Å; V628-L631 PolarHBondContact O-N 3.02Å; L629-L631 VanDerWaalsContact C-N 3.3Å; L629-L631 PolarHBondContact O-N 2.97Å; L631-V633 VanDerWaalsContact C-N 3.32Å; L631-M634 WeakPolarHBondContact CA-O 3.25Å; L631-E636 HydrophobicContact CD2-CB 4.37Å; L631-E636 HydrophobicContact CD2-CG 4.32Å; L631-L638 HydrophobicContact CB-CD1 3.96Å; L631-L638 HydrophobicContact CD1-CD1 4.17Å; L631-L638 HydrophobicContact CD2-CD1 3.92Å; L631-L638 HydrophobicContact CD2-CG 4.14Å; L631-L638 HydrophobicContact CG-CD1 4.23Å; L631-P641 WeakPolarHBondContact O-CA 3.31Å; L631-L642 HydrophobicContact CB-CD1 3.59Å; L631-L642 HydrophobicContact CB-CG 3.85Å; L631-L642 HydrophobicContact CD1-CD1 4.32Å; L631-L642 PolarHBondContact O-N 2.87Å |
| 632 | T | 78.2 | Confident | 82.1 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.4 | -20.2 | 168.4 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | V628 L629 H630 P641 L642 L644 R708 | V628-T632 WeakPolarHBondContact O-CG2 3.36Å; V628-T632 PolarHBondContact O-N 2.98Å; L629-T632 WeakPolarHBondContact O-CB 3.42Å; L629-T632 PolarHBondContact O-N 3.29Å; L629-T632 VanDerWaalsContact O-N 3.07Å; L629-T632 PolarHBondContact O-OG1 3.13Å; H630-T632 PolarHBondContact O-N 2.9Å; T632-P641 WeakPolarHBondContact O-CB 3.42Å; T632-L642 WeakPolarHBondContact CA-O 3.48Å; T632-L642 VanDerWaalsContact CB-O 3.28Å; T632-L642 WeakPolarHBondContact CB-O 3.13Å; T632-L642 HydrophobicContact CG2-CB 3.92Å; T632-L642 WeakPolarHBondContact CG2-O 3.34Å; T632-L644 HydrophobicContact CG2-CD1 3.86Å; T632-L644 HydrophobicContact CG2-CG 3.77Å; T632-R708 WeakPolarHBondContact O-CD 3.32Å |
| 633 | V | 66.4 | Low | 82 | Confident | 48 Ų | 48 | 33.2 Ų | 33.2 | 29% | 0.291 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -109.9 | -48 | -175.4 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | H630 L631 R708 F712 | H630-V633 PolarHBondContact O-N 2.96Å; L631-V633 VanDerWaalsContact C-N 3.32Å; V633-R708 HydrophobicContact CG2-CB 4.13Å; V633-R708 HydrophobicContact CG2-CG 4.47Å; V633-F712 HydrophobicContact CG1-CB 4.33Å; V633-F712 HydrophobicContact CG1-CD2 4.04Å; V633-F712 HydrophobicContact CG1-CG 4.25Å |
| 634 | M | 76 | Confident | 81.5 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 38% | 0.379 | 19% | 0.186 | S | C | . | . | trans | -117.6 | 116 | 177.2 | -64.6 | -154.3 | -57.9 | 0 | 0 | 109.8 | H630 L631 E636 | H630-M634 VanDerWaalsContact CE1-CE 3.48Å; H630-M634 WeakPolarHBondContact CE1-CE 3.27Å; H630-M634 PolarHBondContact O-N 3.5Å; L631-M634 WeakPolarHBondContact CA-O 3.25Å; M634-E636 VanDerWaalsContact C-N 3.27Å; M634-E636 PolarHBondContact O-N 3.09Å | ||
| 635 | P | 76.4 | Confident | 80.3 | Confident | 46 Ų | 46 | 36 Ų | 36 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | trans | -70 | -23.3 | -175.5 | 27.1 | -32.9 | 0 | 0 | 0 | 113.1 | M637 L638 P641 | P635-M637 PolarHBondContact O-N 3.26Å; P635-L638 HydrophobicContact CB-CB 4.02Å; P635-L638 VanDerWaalsContact O-CB 3.29Å; P635-L638 WeakPolarHBondContact O-CB 3.34Å; P635-L638 VanDerWaalsContact O-CG 3.31Å; P635-L638 WeakPolarHBondContact O-CG 3.36Å; P635-L638 PolarHBondContact O-N 2.87Å; P635-P641 HydrophobicContact CB-CG 4.38Å; P635-P641 HydrophobicContact CG-CG 4.35Å | ||
| 636 | E | 87.2 | Confident | 78.6 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -93.4 | -176.9 | -57.7 | -78.4 | 179.4 | 0 | 0 | 112.4 | L617 K619 H630 L631 M634 | L617-E636 HydrophobicContact CD1-CB 4.3Å; L617-E636 HydrophobicContact CD2-CB 3.86Å; L617-E636 HydrophobicContact CD2-CG 3.96Å; K619-E636 IonicContact NZ-OE1 3.78Å; K619-E636 PolarHBondContact NZ-OE1 3.28Å; K619-E636 IonicContact NZ-OE2 3.65Å; K619-E636 PolarHBondContact NZ-OE2 3.03Å; H630-E636 IonicContact CD2-OE1 2.71Å; H630-E636 IonicContact CE1-OE1 2.77Å; H630-E636 PolarHBondContact CE1-OE1 2.87Å; H630-E636 IonicContact NE2-OE1 3.41Å; H630-E636 PolarHBondContact NE2-OE1 2.88Å; L631-E636 HydrophobicContact CD2-CB 4.37Å; L631-E636 HydrophobicContact CD2-CG 4.32Å; M634-E636 VanDerWaalsContact C-N 3.27Å; M634-E636 PolarHBondContact O-N 3.09Å |
| 637 | M | 87 | Confident | 76.6 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 4.5 | 176.1 | -85.6 | 175.8 | 60.3 | 0 | 0 | 113.7 | Y592 F602 L614 L617 P635 | Y592-M637 WeakPolarHBondContact CE1-O 3.34Å; F602-M637 WeakPolarHBondContact CE1-O 3.43Å; L614-M637 HydrophobicContact CD2-CB 4.3Å; L617-M637 HydrophobicContact CB-SD 4.25Å; L617-M637 HydrophobicContact CD1-CB 4.47Å; L617-M637 HydrophobicContact CD1-CG 3.68Å; L617-M637 HydrophobicContact CD1-SD 3.59Å; L617-M637 VanDerWaalsContact CD1-SD 3.59Å; P635-M637 PolarHBondContact O-N 3.26Å |
| 638 | L | 87.9 | Confident | 74.1 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -83.8 | 148.4 | 176.5 | -58.1 | -175.9 | 0 | 0 | 0 | 111.4 | L555 V557 Y592 F602 L614 L631 P635 C640 L642 | L555-L638 HydrophobicContact CD2-CD1 4.45Å; L555-L638 HydrophobicContact CD2-CD2 4.07Å; V557-L638 HydrophobicContact CG2-CD2 4.2Å; Y592-L638 PolarHBondContact OH-O 3.36Å; F602-L638 HydrophobicContact CD1-CD2 4.13Å; F602-L638 HydrophobicContact CD2-CD2 3.47Å; F602-L638 VanDerWaalsContact CD2-CD2 3.47Å; F602-L638 HydrophobicContact CE1-CD2 4Å; F602-L638 HydrophobicContact CE2-CD2 3.32Å; F602-L638 HydrophobicContact CG-CD2 3.89Å; F602-L638 HydrophobicContact CZ-CD2 3.62Å; L614-L638 HydrophobicContact CD2-CD2 4.42Å; L631-L638 HydrophobicContact CB-CD1 3.96Å; L631-L638 HydrophobicContact CD1-CD1 4.17Å; L631-L638 HydrophobicContact CD2-CD1 3.92Å; L631-L638 HydrophobicContact CD2-CG 4.14Å; L631-L638 HydrophobicContact CG-CD1 4.23Å; P635-L638 HydrophobicContact CB-CB 4.02Å; P635-L638 VanDerWaalsContact O-CB 3.29Å; P635-L638 WeakPolarHBondContact O-CB 3.34Å; P635-L638 VanDerWaalsContact O-CG 3.31Å; P635-L638 WeakPolarHBondContact O-CG 3.36Å; P635-L638 PolarHBondContact O-N 2.87Å; L638-C640 WeakPolarHBondContact CB-O 3.22Å; L638-C640 PolarHBondContact O-N 2.8Å; L638-L642 HydrophobicContact CD1-CD1 4.34Å; L638-L642 HydrophobicContact CD1-CD2 3.57Å; L638-L642 HydrophobicContact CD1-CG 3.74Å |
| 639 | P | 80.4 | Confident | 72 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -68.6 | -18.2 | 175 | 27 | -34.7 | 0 | 0 | 0 | 113.7 | S559 Y592 | S559-P639 WeakPolarHBondContact OG-CG 3.31Å; Y592-P639 HydrophobicContact CD1-CB 4.43Å; Y592-P639 HydrophobicContact CD2-CB 4.07Å; Y592-P639 HydrophobicContact CE1-CB 4.28Å; Y592-P639 HydrophobicContact CE2-CB 3.9Å; Y592-P639 HydrophobicContact CG-CB 4.34Å |
| 640 | C | 81.1 | Confident | 69.9 | Low | 18 Ų | 18 | 48.1 Ų | 48.1 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -156.9 | 157.5 | 173.3 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | L638 | L638-C640 WeakPolarHBondContact CB-O 3.22Å; L638-C640 PolarHBondContact O-N 2.8Å |
| 641 | P | 81.5 | Confident | 68.1 | Low | 58 Ų | 58 | 49.3 Ų | 49.3 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | trans | -62 | 153.1 | 172.6 | -17.8 | 30.3 | 0 | 0 | 0 | 112 | G539 L631 T632 P635 | G539-P641 WeakPolarHBondContact CA-O 3.31Å; L631-P641 WeakPolarHBondContact O-CA 3.31Å; T632-P641 WeakPolarHBondContact O-CB 3.42Å; P635-P641 HydrophobicContact CB-CG 4.38Å; P635-P641 HydrophobicContact CG-CG 4.35Å | ||
| 642 | L | 86.4 | Confident | 65.9 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | trans | -75.3 | 136.5 | 178.8 | -61.3 | -172.7 | 0 | 0 | 0 | 112.5 | G539 F541 L555 V557 V628 L631 T632 L638 | G539-L642 WeakPolarHBondContact O-CA 3.44Å; F541-L642 HydrophobicContact CB-CD2 3.88Å; F541-L642 HydrophobicContact CD1-CB 3.74Å; F541-L642 HydrophobicContact CD1-CD1 4.07Å; F541-L642 HydrophobicContact CD1-CD2 3.95Å; F541-L642 HydrophobicContact CD1-CG 4.13Å; F541-L642 HydrophobicContact CD2-CD1 4.13Å; F541-L642 HydrophobicContact CE1-CB 3.79Å; F541-L642 HydrophobicContact CE1-CD1 4.12Å; F541-L642 HydrophobicContact CE1-CG 4.43Å; F541-L642 HydrophobicContact CE2-CD1 4.19Å; F541-L642 HydrophobicContact CG-CB 4.48Å; F541-L642 HydrophobicContact CG-CD1 4.07Å; F541-L642 HydrophobicContact CG-CD2 3.92Å; F541-L642 HydrophobicContact CG-CG 4.39Å; F541-L642 HydrophobicContact CZ-CD1 4.2Å; L555-L642 HydrophobicContact CD1-CD1 4.28Å; L555-L642 HydrophobicContact CD2-CD1 4.45Å; V557-L642 HydrophobicContact CB-CD2 4.38Å; V557-L642 HydrophobicContact CG1-CD2 3.7Å; V557-L642 HydrophobicContact CG2-CD2 3.72Å; V628-L642 HydrophobicContact CG1-CD1 4.43Å; L631-L642 HydrophobicContact CB-CD1 3.59Å; L631-L642 HydrophobicContact CB-CG 3.85Å; L631-L642 HydrophobicContact CD1-CD1 4.32Å; L631-L642 PolarHBondContact O-N 2.87Å; T632-L642 WeakPolarHBondContact CA-O 3.48Å; T632-L642 VanDerWaalsContact CB-O 3.28Å; T632-L642 WeakPolarHBondContact CB-O 3.13Å; T632-L642 HydrophobicContact CG2-CB 3.92Å; T632-L642 WeakPolarHBondContact CG2-O 3.34Å; L638-L642 HydrophobicContact CD1-CD1 4.34Å; L638-L642 HydrophobicContact CD1-CD2 3.57Å; L638-L642 HydrophobicContact CD1-CG 3.74Å | ||
| 643 | R | 78.1 | Confident | 63.5 | Low | 82 Ų | 82 | 62 Ų | 62 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -98.3 | 110.8 | 166.5 | -83.9 | -176.6 | 154.3 | 130.8 | -10.9 | 109.4 | P538 G539 F541 D701 | P538-R643 PolarHBondContact O-NH1 2.86Å; G539-R643 PolarHBondContact O-N 3.36Å; F541-R643 WeakPolarHBondContact CD1-O 3.39Å; F541-R643 VanDerWaalsContact CE1-O 3.3Å; F541-R643 WeakPolarHBondContact CE1-O 3.26Å; R643-D701 IonicContact CZ-OD1 2.9Å; R643-D701 IonicContact NE-OD1 2.67Å; R643-D701 VanDerWaalsContact NH2-CG 3.32Å; R643-D701 IonicContact NH2-OD1 2.76Å; R643-D701 PolarHBondContact NH2-OD1 3.34Å; R643-D701 IonicContact NH2-OD2 2.67Å; R643-D701 PolarHBondContact NH2-OD2 2.84Å; R643-D701 VanDerWaalsContact NH2-OD2 3.1Å |
| 644 | L | 77.8 | Confident | 61.6 | Low | 44 Ų | 44 | 63.7 Ų | 63.7 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 128.9 | 172.9 | -84 | 161.3 | 0 | 0 | 0 | 110.4 | W519 F541 V628 T632 R646 | W519-L644 HydrophobicContact CG-CD2 4.48Å; F541-L644 HydrophobicContact CZ-CD2 4.16Å; V628-L644 HydrophobicContact CG1-CD2 4.33Å; T632-L644 HydrophobicContact CG2-CD1 3.86Å; T632-L644 HydrophobicContact CG2-CG 3.77Å; L644-R646 PolarHBondContact O-N 3.16Å |
| 645 | P | 61.3 | Low | 59.2 | Low | 39 Ų | 39 | 66 Ų | 66 | 25% | 0.253 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 127.1 | 172.3 | -24 | 34.6 | 0 | 0 | 0 | 111.1 | W519 | W519-P645 HydrophobicContact CB-CG 4.07Š|
| 646 | R | 47.5 | Very low | 56.8 | Low | 107 Ų | 107 | 68.7 Ų | 68.7 | 40% | 0.404 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.8 | 168.3 | -64.8 | 178.5 | -173.4 | 159 | 6.9 | 108.9 | L644 A648 A649 T700 E704 | L644-R646 PolarHBondContact O-N 3.16Å; R646-A648 PolarHBondContact O-N 3.22Å; R646-A649 HydrophobicContact CB-CB 4.19Å; R646-A649 PolarHBondContact O-N 3.18Å; R646-T700 PolarHBondContact NH1-OG1 2.8Å; R646-T700 VanDerWaalsContact NH2-CB 3.35Å; R646-T700 PolarHBondContact NH2-OG1 2.69Å; R646-T700 VanDerWaalsContact NH2-OG1 3.16Å; R646-E704 IonicContact CZ-OE1 3.92Å; R646-E704 VanDerWaalsContact CZ-OE1 3.24Å; R646-E704 IonicContact NE-OE1 2.74Å; R646-E704 PolarHBondContact NE-OE1 3.02Å; R646-E704 IonicContact NH2-OE1 3.74Å; R646-E704 PolarHBondContact NH2-OE1 3.18Å |
| 647 | A | 40.9 | Very low | 53.9 | Low | 73 Ų | 73 | 72.1 Ų | 72.1 | 60% | 0.603 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -15.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 648 | A | 36.2 | Very low | 51.1 | Low | 90 Ų | 90 | 76.9 Ų | 76.9 | 74% | 0.744 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 4.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R646 | R646-A648 PolarHBondContact O-N 3.22Š|
| 649 | A | 41 | Very low | 48.2 | Very low | 59 Ų | 59 | 82.8 Ų | 82.8 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | trans | -106.1 | 32 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | R646 P651 | R646-A649 HydrophobicContact CB-CB 4.19Å; R646-A649 PolarHBondContact O-N 3.18Å; A649-P651 WeakPolarHBondContact O-CD 3.42Å | ||
| 650 | N | 34.1 | Very low | 45.6 | Very low | 48 Ų | 48 | 88.1 Ų | 88.1 | 26% | 0.257 | 51% | 0.514 | S | S | . | . | trans | -81.4 | 117.5 | -179.7 | -174.9 | -10.1 | 0 | 0 | 0 | 110.6 | I652 F653 | N650-I652 PolarHBondContact O-N 2.99Å; N650-I652 WeakPolarHBondContact OD1-CB 3.24Å; N650-I652 WeakPolarHBondContact OD1-CG1 3.29Å; N650-I652 PolarHBondContact OD1-N 3.32Å; N650-I652 VanDerWaalsContact OD1-N 3.11Å; N650-F653 PolarHBondContact O-N 3.29Å | ||
| 651 | P | 42.4 | Very low | 43 | Very low | 70 Ų | 70 | 90.4 Ų | 90.4 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -2.8 | -178.5 | -17.8 | 31.7 | 0 | 0 | 0 | 115.2 | M532 A649 F653 | M532-P651 HydrophobicContact CE-CB 4.02Å; M532-P651 HydrophobicContact CE-CG 4.24Å; A649-P651 WeakPolarHBondContact O-CD 3.42Å; P651-F653 VanDerWaalsContact C-N 3.33Å |
| 652 | I | 36.8 | Very low | 40.5 | Very low | 92 Ų | 92 | 95.7 Ų | 95.7 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -20.2 | 176.5 | -63.5 | 176 | 0 | 0 | 0 | 112 | L521 M532 N650 S654 | L521-I652 HydrophobicContact CD1-CD1 3.82Å; L521-I652 HydrophobicContact CD2-CD1 3.57Å; L521-I652 HydrophobicContact CG-CD1 4.39Å; M532-I652 HydrophobicContact CE-CG1 4.27Å; N650-I652 PolarHBondContact O-N 2.99Å; N650-I652 WeakPolarHBondContact OD1-CB 3.24Å; N650-I652 WeakPolarHBondContact OD1-CG1 3.29Å; N650-I652 PolarHBondContact OD1-N 3.32Å; N650-I652 VanDerWaalsContact OD1-N 3.11Å; I652-S654 PolarHBondContact O-N 3.18Å |
| 653 | F | 27.4 | Very low | 37.8 | Very low | 179 Ų | 179 | 101.5 Ų | 101.5 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | trans | -96.4 | 82.5 | 178.1 | -103.7 | -93.2 | 0 | 0 | 0 | 112.7 | N650 P651 | N650-F653 PolarHBondContact O-N 3.29Å; P651-F653 VanDerWaalsContact C-N 3.33Å | ||
| 654 | S | 27.1 | Very low | 35.3 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | trans | -90.9 | 115.4 | 156.6 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | I652 T656 | I652-S654 PolarHBondContact O-N 3.18Å; S654-T656 PolarHBondContact O-N 3.41Å | ||
| 655 | P | 25.9 | Very low | 33 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 83% | 0.825 | 64% | 0.644 | S | S | * | * | trans | -79.2 | 59.7 | -179.2 | 34.1 | -36.6 | 0 | 0 | 0 | 112.1 | ||||
| 656 | T | 25.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | trans | -151.2 | 103.3 | 174.9 | 35.1 | 0 | 0 | 0 | 0 | 109.2 | S654 | S654-T656 PolarHBondContact O-N 3.41Š| ||
| 657 | D | 26.1 | Very low | 30.7 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | S | Bend | -163 | 123.4 | 104.5 | -96.2 | -29.4 | 0 | 0 | 0 | 111.7 | |||
| 658 | H | 27.4 | Very low | 30.1 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | trans | 65.6 | 147 | 172.7 | -42.9 | -42 | 0 | 0 | 0 | 115.7 | ||||
| 659 | C | 27.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 87% | 0.865 | 69% | 0.694 | S | S | * | * | cis | -119.8 | 170.6 | 20.2 | -68.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 660 | V | 25.7 | Very low | 29.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 93% | 0.927 | 71% | 0.707 | S | S | * | * | trans | -87.7 | 139.2 | 179 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 661 | G | 27.5 | Very low | 29.2 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | trans | 156.3 | 119.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 662 | H | 29 | Very low | 28.5 | Very low | 169 Ų | 169 | 135 Ų | 135 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | trans | 58 | 106.9 | 144.1 | -103.9 | -80.3 | 0 | 0 | 0 | 122.5 | ||||
| 663 | D | 28.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | 54.8 | 133.3 | 125.2 | -54.3 | 2.2 | 0 | 0 | 0 | 124.6 | |||||
| 664 | D | 25.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 34.6 | 113.4 | 141.2 | -64.9 | -35.2 | 0 | 0 | 0 | 121.7 | ||||
| 665 | F | 29.2 | Very low | 28.2 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | -152.7 | 158.6 | 116.6 | -141.5 | -106.8 | 0 | 0 | 0 | 116.5 | |||||
| 666 | E | 29.5 | Very low | 28.1 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -51.8 | 164.9 | -170.1 | -143.7 | 180 | 127.2 | 0 | 0 | 119.6 | ||||
| 667 | K | 31.5 | Very low | 28.2 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 120.5 | 179.5 | 172.3 | -171.4 | 175.2 | -178.4 | 0 | 111.9 | ||||
| 668 | P | 28.3 | Very low | 28.2 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 155.2 | 177.5 | 33 | -34.9 | 0 | 0 | 0 | 113.8 | ||||
| 669 | P | 31.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -100.2 | 155.8 | -176.7 | 37.6 | -35.4 | 0 | 0 | 0 | 115.7 | ||||
| 670 | N | 28.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | 50 | 94.7 | 149.7 | -168.8 | 26.9 | 0 | 0 | 0 | 119.9 | ||||
| 671 | V | 33 | Very low | 28.4 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -136.8 | 128.5 | 152.4 | -176 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 672 | T | 27.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -117.5 | 118.8 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 673 | P | 30.5 | Very low | 28.5 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -105 | 105.3 | 162.4 | 32.6 | -23.4 | 0 | 0 | 0 | 110.6 | Q675 | P673-Q675 PolarHBondContact O-N 3.34Š| ||
| 674 | S | 24.8 | Very low | 28.7 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -96.5 | 84.4 | 180 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 675 | Q | 28.4 | Very low | 29.1 | Very low | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -164.7 | 157 | 156.9 | -104.9 | 139.9 | 76.9 | 0 | 0 | 110.3 | P673 | P673-Q675 PolarHBondContact O-N 3.34Š| ||
| 676 | F | 23.8 | Very low | 29.3 | Very low | 206 Ų | 206 | 141 Ų | 141 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | trans | 57 | 90.4 | -165.5 | -68.3 | -88.5 | 0 | 0 | 0 | 114.8 | ||||
| 677 | R | 27.8 | Very low | 29.3 | Very low | 203 Ų | 203 | 136.7 Ų | 136.7 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -99.4 | 122.3 | 160.6 | -82.5 | -164.5 | 176.5 | -141.8 | -2.2 | 110.8 | N681 | R677-N681 PolarHBondContact NH1-OD1 2.84Š| ||
| 678 | P | 26.7 | Very low | 29.5 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | trans | -60.7 | 163.3 | 157.2 | -21.5 | 34.2 | 0 | 0 | 0 | 111.8 | F680 | P678-F680 VanDerWaalsContact C-N 3.31Å; P678-F680 PolarHBondContact O-N 3.16Å | ||
| 679 | M | 24.3 | Very low | 30 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -71.5 | 74.5 | -179.7 | -91.5 | -80.4 | -70.4 | 0 | 0 | 112.9 | ||
| 680 | F | 30.9 | Very low | 30.7 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -110.7 | -9.6 | 176 | -133.7 | -90.9 | 0 | 0 | 0 | 114.7 | P678 A682 L683 | P678-F680 VanDerWaalsContact C-N 3.31Å; P678-F680 PolarHBondContact O-N 3.16Å; F680-A682 PolarHBondContact O-N 3.13Å; F680-L683 HydrophobicContact CD1-CD1 4.44Å; F680-L683 HydrophobicContact CE1-CD1 4.05Å | ||
| 681 | N | 28.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 15.6 | -179.4 | -75.9 | 23.4 | 0 | 0 | 0 | 114.6 | R677 | R677-N681 PolarHBondContact NH1-OD1 2.84Š|
| 682 | A | 30.9 | Very low | 31.9 | Very low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -27.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | F680 Q684 | F680-A682 PolarHBondContact O-N 3.13Å; A682-Q684 VanDerWaalsContact C-N 3.34Å; A682-Q684 PolarHBondContact O-N 2.69Å |
| 683 | L | 29.6 | Very low | 32.5 | Very low | 63 Ų | 63 | 130.4 Ų | 130.4 | 33% | 0.33 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -71.1 | -24 | -177.3 | -95.3 | 90.2 | 0 | 0 | 0 | 114.1 | F680 R685 V686 L699 | F680-L683 HydrophobicContact CD1-CD1 4.44Å; F680-L683 HydrophobicContact CE1-CD1 4.05Å; L683-R685 PolarHBondContact O-N 3.33Å; L683-V686 PolarHBondContact O-N 3.35Å; L683-L699 HydrophobicContact CD1-CD1 4.33Å |
| 684 | Q | 31.8 | Very low | 33.3 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 25.6 | -171.3 | -151.3 | 67.1 | 54 | 0 | 0 | 115 | A682 | A682-Q684 VanDerWaalsContact C-N 3.34Å; A682-Q684 PolarHBondContact O-N 2.69Å |
| 685 | R | 34.3 | Very low | 33.9 | Very low | 234 Ų | 234 | 125 Ų | 125 | 88% | 0.883 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.1 | 18.3 | 173.7 | -64.9 | -166.2 | -176.7 | -149.7 | 0.6 | 113.6 | L683 | L683-R685 PolarHBondContact O-N 3.33Š|
| 686 | V | 33.3 | Very low | 34.4 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -128.8 | 26.1 | 180 | -157 | 0 | 0 | 0 | 0 | 111.1 | L683 | L683-V686 PolarHBondContact O-N 3.35Š|
| 687 | T | 30.3 | Very low | 35.4 | Very low | 67 Ų | 67 | 113.8 Ų | 113.8 | 41% | 0.411 | 60% | 0.597 | S | S | . | * | trans | -131.7 | 45.1 | -169.9 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 688 | D | 34.4 | Very low | 36 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -117.9 | -5.1 | 171.4 | -72.5 | -55.7 | 0 | 0 | 0 | 113.1 | ||
| 689 | T | 38.7 | Very low | 36.4 | Very low | 129 Ų | 129 | 110.2 Ų | 110.2 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -146.1 | -3.7 | -172.7 | 51 | 0 | 0 | 0 | 0 | 116.6 | ||
| 690 | I | 46 | Very low | 37.2 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -139.7 | 143.7 | -172.3 | -57 | -177.8 | 0 | 0 | 0 | 110.5 | E694 | I690-E694 HydrophobicContact CG2-CB 3.66Å; I690-E694 HydrophobicContact CG2-CG 3.45Å; I690-E694 VanDerWaalsContact CG2-CG 3.45Å |
| 691 | S | 44.9 | Very low | 37.5 | Very low | 79 Ų | 79 | 99.1 Ų | 99.1 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | trans | -64.2 | 150.6 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | D693 E694 A695 | S691-D693 VanDerWaalsContact C-N 3.32Å; S691-D693 PolarHBondContact O-N 2.94Å; S691-E694 PolarHBondContact O-N 2.99Å; S691-A695 PolarHBondContact O-N 2.85Å; S691-A695 VanDerWaalsContact O-N 3.1Å | ||
| 692 | L | 41.6 | Very low | 38.1 | Very low | 124 Ų | 124 | 97.8 Ų | 97.8 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.4 | -41.6 | -176.5 | -166.8 | 69.2 | 0 | 0 | 0 | 112.3 | A695 L696 | L692-A695 PolarHBondContact O-N 3.15Å; L692-L696 WeakPolarHBondContact O-CB 3.38Å; L692-L696 PolarHBondContact O-N 3.16Å |
| 693 | D | 41.6 | Very low | 38.7 | Very low | 124 Ų | 124 | 96.7 Ų | 96.7 | 66% | 0.663 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -39.6 | -179.8 | -62.1 | -40.6 | 0 | 0 | 0 | 112.8 | S691 L696 A697 | S691-D693 VanDerWaalsContact C-N 3.32Å; S691-D693 PolarHBondContact O-N 2.94Å; D693-L696 PolarHBondContact O-N 3.19Å; D693-A697 VanDerWaalsContact O-CB 3.31Å; D693-A697 WeakPolarHBondContact O-CB 3.44Å; D693-A697 PolarHBondContact O-N 3.3Å |
| 694 | E | 47.4 | Very low | 39.4 | Very low | 87 Ų | 87 | 95.3 Ų | 95.3 | 41% | 0.407 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 178.2 | 176.6 | 71.4 | -152.8 | 0 | 0 | 111 | I690 S691 R698 | I690-E694 HydrophobicContact CG2-CB 3.66Å; I690-E694 HydrophobicContact CG2-CG 3.45Å; I690-E694 VanDerWaalsContact CG2-CG 3.45Å; S691-E694 PolarHBondContact O-N 2.99Å; E694-R698 VanDerWaalsContact O-CG 3.31Å; E694-R698 WeakPolarHBondContact O-CG 3.19Å; E694-R698 PolarHBondContact O-N 2.79Å; E694-R698 IonicContact OE1-CZ 3.52Å; E694-R698 IonicContact OE1-NE 3.67Å; E694-R698 PolarHBondContact OE1-NE 2.94Å; E694-R698 IonicContact OE1-NH2 2.72Å; E694-R698 PolarHBondContact OE1-NH2 2.87Å |
| 695 | A | 37.6 | Very low | 40.1 | Very low | 21 Ų | 21 | 91.5 Ų | 91.5 | 17% | 0.174 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | S691 L692 L699 | S691-A695 PolarHBondContact O-N 2.85Å; S691-A695 VanDerWaalsContact O-N 3.1Å; L692-A695 PolarHBondContact O-N 3.15Å; A695-L699 WeakPolarHBondContact O-CG 3.35Å; A695-L699 PolarHBondContact O-N 3.38Å |
| 696 | L | 38.3 | Very low | 40.7 | Very low | 101 Ų | 101 | 81.3 Ų | 81.3 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.6 | -43.1 | 178.9 | -158.9 | 71.5 | 0 | 0 | 0 | 111.6 | L692 D693 R698 L699 T700 | L692-L696 WeakPolarHBondContact O-CB 3.38Å; L692-L696 PolarHBondContact O-N 3.16Å; D693-L696 PolarHBondContact O-N 3.19Å; L696-R698 PolarHBondContact O-N 2.93Å; L696-L699 PolarHBondContact O-N 3.17Å; L696-T700 WeakPolarHBondContact O-CG2 3.06Å; L696-T700 PolarHBondContact O-N 3.11Å |
| 697 | A | 44 | Very low | 41.5 | Very low | 48 Ų | 48 | 77.8 Ų | 77.8 | 40% | 0.397 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.9 | -52.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D693 L699 T700 D701 | D693-A697 VanDerWaalsContact O-CB 3.31Å; D693-A697 WeakPolarHBondContact O-CB 3.44Å; D693-A697 PolarHBondContact O-N 3.3Å; A697-L699 PolarHBondContact O-N 3.46Å; A697-T700 PolarHBondContact O-N 2.85Å; A697-T700 PolarHBondContact O-OG1 3.36Å; A697-D701 PolarHBondContact O-N 3.4Å |
| 698 | R | 40.9 | Very low | 42.6 | Very low | 150 Ų | 150 | 76.2 Ų | 76.2 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | -179.4 | -70.4 | 174.7 | -174.4 | -142.2 | 1.6 | 113.5 | E694 L696 T700 E702 | E694-R698 VanDerWaalsContact O-CG 3.31Å; E694-R698 WeakPolarHBondContact O-CG 3.19Å; E694-R698 PolarHBondContact O-N 2.79Å; E694-R698 IonicContact OE1-CZ 3.52Å; E694-R698 IonicContact OE1-NE 3.67Å; E694-R698 PolarHBondContact OE1-NE 2.94Å; E694-R698 IonicContact OE1-NH2 2.72Å; E694-R698 PolarHBondContact OE1-NH2 2.87Å; L696-R698 PolarHBondContact O-N 2.93Å; R698-T700 PolarHBondContact O-N 3.27Å; R698-E702 PolarHBondContact O-N 3.15Å |
| 699 | L | 34.8 | Very low | 43.6 | Very low | 88 Ų | 88 | 70.1 Ų | 70.1 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -29.7 | 174.8 | -74.2 | 170.4 | 0 | 0 | 0 | 112.3 | L683 A695 L696 A697 | L683-L699 HydrophobicContact CD1-CD1 4.33Å; A695-L699 WeakPolarHBondContact O-CG 3.35Å; A695-L699 PolarHBondContact O-N 3.38Å; L696-L699 PolarHBondContact O-N 3.17Å; A697-L699 PolarHBondContact O-N 3.46Å |
| 700 | T | 41.7 | Very low | 44.2 | Very low | 43 Ų | 43 | 64.1 Ų | 64.1 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -86.9 | -31.9 | -178.6 | 66.7 | 0 | 0 | 0 | 0 | 114.7 | R646 L696 A697 R698 E702 D703 E704 | R646-T700 PolarHBondContact NH1-OG1 2.8Å; R646-T700 VanDerWaalsContact NH2-CB 3.35Å; R646-T700 PolarHBondContact NH2-OG1 2.69Å; R646-T700 VanDerWaalsContact NH2-OG1 3.16Å; L696-T700 WeakPolarHBondContact O-CG2 3.06Å; L696-T700 PolarHBondContact O-N 3.11Å; A697-T700 PolarHBondContact O-N 2.85Å; A697-T700 PolarHBondContact O-OG1 3.36Å; R698-T700 PolarHBondContact O-N 3.27Å; T700-E702 VanDerWaalsContact C-N 3.34Å; T700-D703 PolarHBondContact O-N 2.86Å; T700-E704 VanDerWaalsContact O-CG 3.27Å; T700-E704 WeakPolarHBondContact O-CG 3.41Å; T700-E704 PolarHBondContact O-N 2.81Å; T700-E704 VanDerWaalsContact O-N 3.16Å |
| 701 | D | 37.3 | Very low | 44.2 | Very low | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -38 | 173 | -96.9 | -25.7 | 0 | 0 | 0 | 111 | R643 A697 D703 E704 D705 | R643-D701 IonicContact CZ-OD1 2.9Å; R643-D701 IonicContact NE-OD1 2.67Å; R643-D701 VanDerWaalsContact NH2-CG 3.32Å; R643-D701 IonicContact NH2-OD1 2.76Å; R643-D701 PolarHBondContact NH2-OD1 3.34Å; R643-D701 IonicContact NH2-OD2 2.67Å; R643-D701 PolarHBondContact NH2-OD2 2.84Å; R643-D701 VanDerWaalsContact NH2-OD2 3.1Å; A697-D701 PolarHBondContact O-N 3.4Å; D701-D703 PolarHBondContact O-N 3.28Å; D701-E704 PolarHBondContact O-N 3Å; D701-D705 PolarHBondContact O-N 2.82Å |
| 702 | E | 40.9 | Very low | 44.5 | Very low | 88 Ų | 88 | 61.3 Ų | 61.3 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 177.4 | -72.1 | -153.8 | 142.2 | 0 | 0 | 113.8 | P98 R698 T700 Y706 | P98-E702 WeakPolarHBondContact CB-OE1 3.35Å; P98-E702 VanDerWaalsContact CG-OE1 3.27Å; P98-E702 WeakPolarHBondContact CG-OE1 3.26Å; R698-E702 PolarHBondContact O-N 3.15Å; T700-E702 VanDerWaalsContact C-N 3.34Å; E702-Y706 WeakPolarHBondContact O-CB 3.41Å; E702-Y706 PolarHBondContact O-N 3.35Å |
| 703 | D | 43.7 | Very low | 44.9 | Very low | 51 Ų | 51 | 55.7 Ų | 55.7 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.4 | -25.7 | 174.9 | -91.4 | -27.4 | 0 | 0 | 0 | 112.1 | R73 T700 D701 Q707 | R73-D703 IonicContact CZ-OD1 3.65Å; R73-D703 IonicContact CZ-OD2 3.67Å; R73-D703 IonicContact NE-OD1 2.79Å; R73-D703 IonicContact NH2-OD1 3.1Å; R73-D703 PolarHBondContact NH2-OD1 3.16Å; R73-D703 IonicContact NH2-OD2 3.49Å; R73-D703 PolarHBondContact NH2-OD2 2.93Å; T700-D703 PolarHBondContact O-N 2.86Å; D701-D703 PolarHBondContact O-N 3.28Å; D703-Q707 WeakPolarHBondContact O-CB 3.48Å; D703-Q707 PolarHBondContact O-N 3.14Å |
| 704 | E | 44.5 | Very low | 45.2 | Very low | 35 Ų | 35 | 50 Ų | 50 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.8 | -43.7 | 173.1 | -64.1 | -133.2 | 170.4 | 0 | 0 | 112.9 | R646 T700 D701 Y706 Q707 R708 | R646-E704 IonicContact CZ-OE1 3.92Å; R646-E704 VanDerWaalsContact CZ-OE1 3.24Å; R646-E704 IonicContact NE-OE1 2.74Å; R646-E704 PolarHBondContact NE-OE1 3.02Å; R646-E704 IonicContact NH2-OE1 3.74Å; R646-E704 PolarHBondContact NH2-OE1 3.18Å; T700-E704 VanDerWaalsContact O-CG 3.27Å; T700-E704 WeakPolarHBondContact O-CG 3.41Å; T700-E704 PolarHBondContact O-N 2.81Å; T700-E704 VanDerWaalsContact O-N 3.16Å; D701-E704 PolarHBondContact O-N 3Å; E704-Y706 VanDerWaalsContact C-N 3.35Å; E704-Q707 WeakPolarHBondContact O-CB 3.38Å; E704-Q707 PolarHBondContact O-N 2.94Å; E704-Q707 VanDerWaalsContact O-N 3.11Å; E704-R708 WeakPolarHBondContact O-CG 3.26Å; E704-R708 PolarHBondContact O-N 3.43Å; E704-R708 IonicContact OE2-CZ 3.12Å; E704-R708 IonicContact OE2-NH1 3.85Å; E704-R708 IonicContact OE2-NH2 3.75Å; E704-R708 PolarHBondContact OE2-NH2 2.99Å |
| 705 | D | 45.2 | Very low | 45.3 | Very low | 77 Ų | 77 | 49 Ų | 49 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 175.6 | -78.4 | -17.4 | 0 | 0 | 0 | 110.6 | D701 Q707 R708 L709 | D701-D705 PolarHBondContact O-N 2.82Å; D705-Q707 PolarHBondContact O-N 2.8Å; D705-R708 PolarHBondContact O-N 2.87Å; D705-R708 IonicContact OD1-CZ 2.74Å; D705-R708 IonicContact OD1-NH1 3.45Å; D705-R708 PolarHBondContact OD1-NH1 3.17Å; D705-L709 WeakPolarHBondContact O-CD1 3.19Å; D705-L709 WeakPolarHBondContact O-CG 3.13Å; D705-L709 PolarHBondContact O-N 3.31Å |
| 706 | Y | 47.1 | Very low | 45.9 | Very low | 19 Ų | 19 | 51.8 Ų | 51.8 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.2 | -42.9 | 168.3 | -179 | -83.6 | 0 | 0 | 0 | 111.3 | L72 I75 F125 E702 E704 L709 S710 | L72-Y706 PolarHBondContact O-OH 2.93Å; I75-Y706 WeakPolarHBondContact O-CE2 3.28Å; I75-Y706 PolarHBondContact O-OH 3.41Å; F125-Y706 WeakPolarHBondContact CE1-OH 3.42Å; E702-Y706 WeakPolarHBondContact O-CB 3.41Å; E702-Y706 PolarHBondContact O-N 3.35Å; E704-Y706 VanDerWaalsContact C-N 3.35Å; Y706-L709 PolarHBondContact O-N 3.35Å; Y706-S710 PolarHBondContact O-N 2.72Å |
| 707 | Q | 51 | Low | 46.2 | Very low | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -48.5 | -179.3 | -173.4 | 48.8 | 57.7 | 0 | 0 | 113.3 | Y129 D703 E704 D705 L709 S710 D711 | Y129-Q707 HydrophobicContact CD1-CG 4.46Å; Y129-Q707 HydrophobicContact CD2-CG 3.72Å; Y129-Q707 HydrophobicContact CE1-CG 4.19Å; Y129-Q707 HydrophobicContact CE2-CG 3.37Å; Y129-Q707 HydrophobicContact CG-CG 4.22Å; Y129-Q707 VanDerWaalsContact CG-OE1 3.24Å; D703-Q707 WeakPolarHBondContact O-CB 3.48Å; D703-Q707 PolarHBondContact O-N 3.14Å; E704-Q707 WeakPolarHBondContact O-CB 3.38Å; E704-Q707 PolarHBondContact O-N 2.94Å; E704-Q707 VanDerWaalsContact O-N 3.11Å; D705-Q707 PolarHBondContact O-N 2.8Å; Q707-L709 PolarHBondContact O-N 3.1Å; Q707-S710 VanDerWaalsContact O-CB 3.27Å; Q707-S710 WeakPolarHBondContact O-CB 3.35Å; Q707-S710 PolarHBondContact O-N 2.99Å; Q707-D711 PolarHBondContact NE2-OD1 2.75Å; Q707-D711 VanDerWaalsContact NE2-OD1 3.09Å; Q707-D711 PolarHBondContact NE2-OD2 2.79Å; Q707-D711 PolarHBondContact O-N 3.11Å |
| 708 | R | 53.1 | Low | 46.1 | Very low | 34 Ų | 34 | 48.1 Ų | 48.1 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -50.2 | -35.5 | 174.5 | -73.4 | 173.4 | -173.2 | 102.7 | 24.7 | 112.3 | T632 V633 E704 D705 F712 | T632-R708 WeakPolarHBondContact O-CD 3.32Å; V633-R708 HydrophobicContact CG2-CB 4.13Å; V633-R708 HydrophobicContact CG2-CG 4.47Å; E704-R708 WeakPolarHBondContact O-CG 3.26Å; E704-R708 PolarHBondContact O-N 3.43Å; E704-R708 IonicContact OE2-CZ 3.12Å; E704-R708 IonicContact OE2-NH1 3.85Å; E704-R708 IonicContact OE2-NH2 3.75Å; E704-R708 PolarHBondContact OE2-NH2 2.99Å; D705-R708 PolarHBondContact O-N 2.87Å; D705-R708 IonicContact OD1-CZ 2.74Å; D705-R708 IonicContact OD1-NH1 3.45Å; D705-R708 PolarHBondContact OD1-NH1 3.17Å; R708-F712 WeakPolarHBondContact O-CB 3.3Å; R708-F712 PolarHBondContact O-N 3.45Å |
| 709 | L | 55 | Low | 46.1 | Very low | 26 Ų | 26 | 46.5 Ų | 46.5 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -79.6 | -36.9 | 179.4 | -60.7 | 158.3 | 0 | 0 | 0 | 113.2 | H24 D705 Y706 Q707 D711 F712 S713 | H24-L709 HydrophobicContact CB-CD2 4.39Å; H24-L709 WeakPolarHBondContact CE1-CD1 3.44Å; H24-L709 WeakPolarHBondContact ND1-CD2 3.35Å; D705-L709 WeakPolarHBondContact O-CD1 3.19Å; D705-L709 WeakPolarHBondContact O-CG 3.13Å; D705-L709 PolarHBondContact O-N 3.31Å; Y706-L709 PolarHBondContact O-N 3.35Å; Q707-L709 PolarHBondContact O-N 3.1Å; L709-D711 VanDerWaalsContact C-N 3.29Å; L709-D711 PolarHBondContact O-N 3.48Å; L709-F712 PolarHBondContact O-N 3.31Å; L709-S713 WeakPolarHBondContact O-CB 3.26Å; L709-S713 PolarHBondContact O-N 2.56Å |
| 710 | S | 51.3 | Low | 46.7 | Very low | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 172.5 | -155.1 | 0 | 0 | 0 | 0 | 109.9 | F125 Y706 Q707 S714 | F125-S710 WeakPolarHBondContact CB-OG 3.45Å; F125-S710 PolarHBondContact O-OG 3.29Å; Y706-S710 PolarHBondContact O-N 2.72Å; Q707-S710 VanDerWaalsContact O-CB 3.27Å; Q707-S710 WeakPolarHBondContact O-CB 3.35Å; Q707-S710 PolarHBondContact O-N 2.99Å; S710-S714 WeakPolarHBondContact O-CB 3.44Å; S710-S714 PolarHBondContact O-N 3.37Å |
| 711 | D | 46.3 | Very low | 46.7 | Very low | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.8 | -44.1 | 177.5 | -61 | -39.4 | 0 | 0 | 0 | 112.1 | Y129 Q707 L709 S713 S714 I715 | Y129-D711 VanDerWaalsContact CD1-OD1 3.31Å; Y129-D711 WeakPolarHBondContact CD1-OD1 3.41Å; Y129-D711 WeakPolarHBondContact CE1-OD2 3.44Å; Q707-D711 PolarHBondContact NE2-OD1 2.75Å; Q707-D711 VanDerWaalsContact NE2-OD1 3.09Å; Q707-D711 PolarHBondContact NE2-OD2 2.79Å; Q707-D711 PolarHBondContact O-N 3.11Å; L709-D711 VanDerWaalsContact C-N 3.29Å; L709-D711 PolarHBondContact O-N 3.48Å; D711-S713 PolarHBondContact O-N 2.8Å; D711-S714 WeakPolarHBondContact O-CB 3.35Å; D711-S714 PolarHBondContact O-N 3.22Å; D711-I715 WeakPolarHBondContact O-CG1 3.2Å; D711-I715 PolarHBondContact O-N 3.02Å |
| 712 | F | 52 | Low | 46.5 | Very low | 68 Ų | 68 | 52.1 Ų | 52.1 | 30% | 0.298 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 177.5 | -179.9 | -102.7 | 0 | 0 | 0 | 112.9 | V633 R708 L709 S714 I715 M716 | V633-F712 HydrophobicContact CG1-CB 4.33Å; V633-F712 HydrophobicContact CG1-CD2 4.04Å; V633-F712 HydrophobicContact CG1-CG 4.25Å; R708-F712 WeakPolarHBondContact O-CB 3.3Å; R708-F712 PolarHBondContact O-N 3.45Å; L709-F712 PolarHBondContact O-N 3.31Å; F712-S714 VanDerWaalsContact C-N 3.27Å; F712-S714 PolarHBondContact O-N 3.32Å; F712-I715 PolarHBondContact O-N 2.88Å; F712-M716 HydrophobicContact CD1-CG 4.15Å; F712-M716 HydrophobicContact CD2-CG 4.29Å; F712-M716 HydrophobicContact CE1-CG 3.73Å; F712-M716 HydrophobicContact CE2-CG 3.88Å; F712-M716 HydrophobicContact CE2-SD 4.22Å; F712-M716 HydrophobicContact CG-CG 4.42Å; F712-M716 HydrophobicContact CZ-CG 3.58Å; F712-M716 HydrophobicContact CZ-SD 3.98Å; F712-M716 WeakPolarHBondContact O-CB 3.23Å; F712-M716 WeakPolarHBondContact O-CG 3.14Å; F712-M716 PolarHBondContact O-N 2.94Å |
| 713 | S | 48.5 | Very low | 46.2 | Very low | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -29.6 | 177.7 | -159.9 | 0 | 0 | 0 | 0 | 111.8 | A78 L709 D711 A717 | A78-S713 PolarHBondContact N-OG 2.91Å; L709-S713 WeakPolarHBondContact O-CB 3.26Å; L709-S713 PolarHBondContact O-N 2.56Å; D711-S713 PolarHBondContact O-N 2.8Å; S713-A717 PolarHBondContact O-N 2.65Å |
| 714 | S | 48.8 | Very low | 45.7 | Very low | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -47.6 | 170.7 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | R126 S710 D711 F712 M716 A717 D718 | R126-S714 PolarHBondContact NE-OG 2.96Å; R126-S714 PolarHBondContact NH2-OG 2.69Å; S710-S714 WeakPolarHBondContact O-CB 3.44Å; S710-S714 PolarHBondContact O-N 3.37Å; D711-S714 WeakPolarHBondContact O-CB 3.35Å; D711-S714 PolarHBondContact O-N 3.22Å; F712-S714 VanDerWaalsContact C-N 3.27Å; F712-S714 PolarHBondContact O-N 3.32Å; S714-M716 VanDerWaalsContact C-N 3.34Å; S714-M716 PolarHBondContact O-N 3.32Å; S714-A717 WeakPolarHBondContact O-CB 3.22Å; S714-A717 PolarHBondContact O-N 3.01Å; S714-A717 VanDerWaalsContact O-N 3.1Å; S714-D718 PolarHBondContact O-N 2.85Å |
| 715 | I | 49.3 | Very low | 45.2 | Very low | 65 Ų | 65 | 67.4 Ų | 67.4 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 179.3 | -68.9 | 162.7 | 0 | 0 | 0 | 111.2 | D711 F712 A717 D718 L719 | D711-I715 WeakPolarHBondContact O-CG1 3.2Å; D711-I715 PolarHBondContact O-N 3.02Å; F712-I715 PolarHBondContact O-N 2.88Å; I715-A717 PolarHBondContact O-N 3.16Å; I715-D718 PolarHBondContact O-N 3.21Å; I715-L719 HydrophobicContact CG2-CD1 3.78Å; I715-L719 HydrophobicContact CG2-CG 4.26Å; I715-L719 WeakPolarHBondContact O-CB 3.47Å; I715-L719 VanDerWaalsContact O-CG 3.31Å; I715-L719 WeakPolarHBondContact O-CG 3.41Å; I715-L719 PolarHBondContact O-N 2.94Å |
| 716 | M | 50.1 | Low | 44.6 | Very low | 81 Ų | 81 | 69.4 Ų | 69.4 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.7 | -16.3 | 175.2 | -73.2 | -63.3 | -61.4 | 0 | 0 | 114 | F712 S714 L719 | F712-M716 HydrophobicContact CD1-CG 4.15Å; F712-M716 HydrophobicContact CD2-CG 4.29Å; F712-M716 HydrophobicContact CE1-CG 3.73Å; F712-M716 HydrophobicContact CE2-CG 3.88Å; F712-M716 HydrophobicContact CE2-SD 4.22Å; F712-M716 HydrophobicContact CG-CG 4.42Å; F712-M716 HydrophobicContact CZ-CG 3.58Å; F712-M716 HydrophobicContact CZ-SD 3.98Å; F712-M716 WeakPolarHBondContact O-CB 3.23Å; F712-M716 WeakPolarHBondContact O-CG 3.14Å; F712-M716 PolarHBondContact O-N 2.94Å; S714-M716 VanDerWaalsContact C-N 3.34Å; S714-M716 PolarHBondContact O-N 3.32Å; M716-L719 HydrophobicContact SD-CD1 4.44Å |
| 717 | A | 45.6 | Very low | 44.1 | Very low | 3 Ų | 3 | 74.5 Ų | 74.5 | 3% | 0.025 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -77.7 | -54 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | N118 S713 S714 I715 L719 K720 L721 | N118-A717 VanDerWaalsContact ND2-CB 3.34Å; N118-A717 WeakPolarHBondContact ND2-CB 3.47Å; S713-A717 PolarHBondContact O-N 2.65Å; S714-A717 WeakPolarHBondContact O-CB 3.22Å; S714-A717 PolarHBondContact O-N 3.01Å; S714-A717 VanDerWaalsContact O-N 3.1Å; I715-A717 PolarHBondContact O-N 3.16Å; A717-L719 VanDerWaalsContact C-N 3.27Å; A717-L719 PolarHBondContact O-N 3.32Å; A717-K720 PolarHBondContact O-N 2.83Å; A717-L721 PolarHBondContact O-N 2.87Å |
| 718 | D | 40.3 | Very low | 43.2 | Very low | 69 Ų | 69 | 84.9 Ų | 84.9 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58 | -38 | -179.6 | -63.3 | -28.5 | 0 | 0 | 0 | 112.1 | R126 S714 I715 K720 L721 | R126-D718 IonicContact CZ-OD2 3.12Å; R126-D718 VanDerWaalsContact NH2-CG 3.27Å; R126-D718 IonicContact NH2-OD1 3.34Å; R126-D718 PolarHBondContact NH2-OD1 2.83Å; R126-D718 VanDerWaalsContact NH2-OD1 3.12Å; R126-D718 IonicContact NH2-OD2 3.42Å; R126-D718 PolarHBondContact NH2-OD2 3.29Å; S714-D718 PolarHBondContact O-N 2.85Å; I715-D718 PolarHBondContact O-N 3.21Å; D718-K720 VanDerWaalsContact C-N 3.31Å; D718-K720 PolarHBondContact O-N 2.6Å; D718-L721 PolarHBondContact O-N 2.73Å |
| 719 | L | 41.5 | Very low | 42.2 | Very low | 116 Ų | 116 | 92.9 Ų | 92.9 | 61% | 0.607 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.7 | -21.9 | 178 | -74.7 | 173.3 | 0 | 0 | 0 | 114.4 | I715 M716 A717 | I715-L719 HydrophobicContact CG2-CD1 3.78Å; I715-L719 HydrophobicContact CG2-CG 4.26Å; I715-L719 WeakPolarHBondContact O-CB 3.47Å; I715-L719 VanDerWaalsContact O-CG 3.31Å; I715-L719 WeakPolarHBondContact O-CG 3.41Å; I715-L719 PolarHBondContact O-N 2.94Å; M716-L719 HydrophobicContact SD-CD1 4.44Å; A717-L719 VanDerWaalsContact C-N 3.27Å; A717-L719 PolarHBondContact O-N 3.32Å |
| 720 | K | 47.5 | Very low | 41.1 | Very low | 92 Ų | 92 | 99.3 Ų | 99.3 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -80.9 | -31.1 | 172.6 | -79.1 | -177.8 | 173.3 | -178.1 | 0 | 112.3 | C80 A717 D718 | C80-K720 PolarHBondContact O-NZ 3.21Å; A717-K720 PolarHBondContact O-N 2.83Å; D718-K720 VanDerWaalsContact C-N 3.31Å; D718-K720 PolarHBondContact O-N 2.6Å |
| 721 | L | 41.2 | Very low | 40.2 | Very low | 71 Ų | 71 | 108.3 Ų | 108.3 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -80.7 | -10.2 | -174.2 | -69.2 | 176.1 | 0 | 0 | 0 | 114.9 | E115 T119 A717 D718 P723 | E115-L721 HydrophobicContact CB-CD2 4.26Å; T119-L721 HydrophobicContact CG2-CD1 3.94Å; A717-L721 PolarHBondContact O-N 2.87Å; D718-L721 PolarHBondContact O-N 2.73Å; L721-P723 WeakPolarHBondContact O-CD 3.39Å |
| 722 | Q | 34.1 | Very low | 39.5 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -59.9 | 107.7 | 171.8 | -78.8 | -73.1 | -15.9 | 0 | 0 | 109.7 | R724 | Q722-R724 PolarHBondContact O-N 2.95Å; Q722-R724 VanDerWaalsContact O-N 3.14Å |
| 723 | P | 34.4 | Very low | 38.7 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 70% | 0.695 | 56% | 0.562 | S | S | * | * | trans | -65.4 | 124.1 | 178.6 | -14.2 | 30.2 | 0 | 0 | 0 | 106.9 | L721 N725 | L721-P723 WeakPolarHBondContact O-CD 3.39Å; P723-N725 PolarHBondContact O-N 2.89Å | ||
| 724 | R | 31.9 | Very low | 38.1 | Very low | 228 Ų | 228 | 119.2 Ų | 119.2 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | trans | -50.6 | 117.8 | 170.7 | -101.4 | -171.3 | 169 | 111.8 | -2.5 | 107 | Q722 V726 | Q722-R724 PolarHBondContact O-N 2.95Å; Q722-R724 VanDerWaalsContact O-N 3.14Å; R724-V726 WeakPolarHBondContact O-CG2 3.03Å; R724-V726 PolarHBondContact O-N 2.83Å | ||
| 725 | N | 34.2 | Very low | 37.6 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 63% | 0.634 | S | S | * | * | trans | -77.6 | 65.2 | -175.2 | -155.9 | -33.1 | 0 | 0 | 0 | 110 | P723 N727 | P723-N725 PolarHBondContact O-N 2.89Å; N725-N727 PolarHBondContact O-N 2.84Å | ||
| 726 | V | 34.3 | Very low | 37 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | trans | -75.8 | 74 | 176.6 | -81.2 | 0 | 0 | 0 | 0 | 109.6 | R724 | R724-V726 WeakPolarHBondContact O-CG2 3.03Å; R724-V726 PolarHBondContact O-N 2.83Å | ||
| 727 | N | 35.3 | Very low | 36.2 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | -156.7 | 96.2 | 126.1 | -99.3 | -49.2 | 0 | 0 | 0 | 111.1 | N725 K729 | N725-N727 PolarHBondContact O-N 2.84Å; N727-K729 PolarHBondContact O-N 2.95Å | |||
| 728 | R | 32.2 | Very low | 35.8 | Very low | 232 Ų | 232 | 133.7 Ų | 133.7 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | trans | -52.4 | 130.6 | 150.8 | -78.3 | -179.9 | 168.5 | 134.9 | -3.4 | 107 | H730 | R728-H730 PolarHBondContact O-N 3.07Š| ||
| 729 | K | 32.2 | Very low | 35.8 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | -55.9 | 102.2 | 179.1 | -69.4 | 179.4 | 179.1 | 177.2 | 0 | 109.8 | N727 K731 | N727-K729 PolarHBondContact O-N 2.95Å; K729-K731 VanDerWaalsContact C-N 3.25Å; K729-K731 PolarHBondContact O-N 2.75Å | ||
| 730 | H | 31.3 | Very low | 35.9 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | -66.4 | 90.6 | 168 | -87.9 | -89.3 | 0 | 0 | 0 | 108 | R728 V732 | R728-H730 PolarHBondContact O-N 3.07Å; H730-V732 PolarHBondContact O-N 2.87Å | ||
| 731 | K | 34 | Very low | 35.5 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 84.9 | 168.9 | -176.1 | 177.7 | 179.5 | 177.7 | 0 | 107.5 | K729 S733 | K729-K731 VanDerWaalsContact C-N 3.25Å; K729-K731 PolarHBondContact O-N 2.75Å; K731-S733 VanDerWaalsContact C-N 3.35Å; K731-S733 PolarHBondContact O-N 3.08Å | ||
| 732 | V | 31.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -58.5 | 100.4 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | H730 S734 | H730-V732 PolarHBondContact O-N 2.87Å; V732-S734 VanDerWaalsContact C-N 3.32Å; V732-S734 PolarHBondContact O-N 2.86Å; V732-S734 VanDerWaalsContact O-N 3.08Å | ||
| 733 | S | 34.8 | Very low | 35.3 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | -77.9 | 91.3 | 170.1 | -173.6 | 0 | 0 | 0 | 0 | 106.8 | K731 K735 | K731-S733 VanDerWaalsContact C-N 3.35Å; K731-S733 PolarHBondContact O-N 3.08Å; S733-K735 PolarHBondContact O-N 3.25Å | ||
| 734 | S | 34.9 | Very low | 35.3 | Very low | 114 Ų | 114 | 156 Ų | 156 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -66 | 74.6 | 172.4 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | V732 | V732-S734 VanDerWaalsContact C-N 3.32Å; V732-S734 PolarHBondContact O-N 2.86Å; V732-S734 VanDerWaalsContact O-N 3.08Å | ||
| 735 | K | 38.4 | Very low | 35.5 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -85.6 | 124.5 | 177.4 | -157.6 | 173.1 | -174.5 | -178.5 | 0 | 108.3 | S733 G737 | S733-K735 PolarHBondContact O-N 3.25Å; K735-G737 PolarHBondContact O-N 3.15Å; K735-G737 VanDerWaalsContact O-N 3.15Å | ||
| 736 | S | 36.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -61.7 | 111.4 | -174.1 | 33.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 737 | G | 35 | Very low | 35.7 | Very low | 75 Ų | 75 | 153.5 Ų | 153.5 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -105.1 | 89 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K735 H739 | K735-G737 PolarHBondContact O-N 3.15Å; K735-G737 VanDerWaalsContact O-N 3.15Å; G737-H739 PolarHBondContact O-N 3.46Å | ||
| 738 | G | 35.6 | Very low | 35.7 | Very low | 75 Ų | 75 | 155.4 Ų | 155.4 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -77.1 | 116.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 739 | H | 40.9 | Very low | 36 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 90% | 0.903 | 83% | 0.833 | S | S | * | * | trans | -120.3 | 119.7 | 162.2 | -85.2 | -1.7 | 0 | 0 | 0 | 108.3 | G737 | G737-H739 PolarHBondContact O-N 3.46Š| ||
| 740 | G | 43.1 | Very low | 36.3 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -91.6 | 131.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 741 | R | 39.8 | Very low | 36.8 | Very low | 326 Ų | 326 | 143.6 Ų | 143.6 | 100% | 1.23 | 84% | 0.836 | S | S | * | * | trans | -153.5 | 0 | 138.7 | -109.1 | -178.2 | -176.2 | -135.1 | -1 | 109.2 |
Retrieved 741 of 741 residues in 965.7 ms
(Link to these results)