| 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 | 40.8 | Very low | 52.2 | Low | 236 Ų | 236 | 166.6 Ų | 166.6 | 100% | 1.163 | 79% | 0.786 | S | S | * | * | 0 | 126.5 | 0 | -69.7 | -172.8 | 171.5 | 0 | 0 | 108.4 | T3 | M1-T3 PolarHBondContact O-N 2.89Š| |||
| 2 | H | 37 | Very low | 55.3 | Low | 193 Ų | 193 | 159.8 Ų | 159.8 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -80.1 | 101.6 | -178 | -71.5 | 101.7 | 0 | 0 | 0 | 110.7 | R4 | H2-R4 VanDerWaalsContact C-N 3.34Å; H2-R4 PolarHBondContact O-N 3.29Å | ||
| 3 | T | 43 | Very low | 57.8 | Low | 131 Ų | 131 | 151.8 Ų | 151.8 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -65.5 | 93.3 | 168.2 | 49.2 | 0 | 0 | 0 | 0 | 109 | M1 R5 | M1-T3 PolarHBondContact O-N 2.89Å; T3-R5 PolarHBondContact O-N 3.5Å | ||
| 4 | R | 46.8 | Very low | 60 | Low | 234 Ų | 234 | 144.2 Ų | 144.2 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -58.4 | 112.7 | 171.3 | -67.6 | -174.3 | 177.5 | -145.8 | -0.8 | 107.6 | H2 L6 | H2-R4 VanDerWaalsContact C-N 3.34Å; H2-R4 PolarHBondContact O-N 3.29Å; R4-L6 PolarHBondContact O-N 3.47Å | ||
| 5 | R | 50.1 | Low | 62.1 | Low | 241 Ų | 241 | 144.1 Ų | 144.1 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | trans | -60.7 | 108.5 | 172.6 | -71.9 | -178.6 | 176.5 | 175.2 | -1.7 | 107.3 | T3 V7 | T3-R5 PolarHBondContact O-N 3.5Å; R5-V7 PolarHBondContact O-N 3.21Å; R5-V7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | L | 43.2 | Very low | 63.9 | Low | 145 Ų | 145 | 135.4 Ų | 135.4 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | trans | -61.6 | 116.1 | 173.3 | -84.3 | 159.9 | 0 | 0 | 0 | 107.7 | R4 K8 | R4-L6 PolarHBondContact O-N 3.47Å; L6-K8 PolarHBondContact O-N 3.19Å; L6-K8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | V | 40.1 | Very low | 65.5 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 76% | 0.758 | 65% | 0.645 | S | S | * | * | trans | -60.3 | 116.7 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | R5 R9 | R5-V7 PolarHBondContact O-N 3.21Å; R5-V7 VanDerWaalsContact O-N 3.15Å; V7-R9 PolarHBondContact O-N 3.13Å | ||
| 8 | K | 51.5 | Low | 66.6 | Low | 210 Ų | 210 | 126.4 Ų | 126.4 | 91% | 0.913 | 61% | 0.611 | S | S | * | * | trans | -75 | 69.8 | 178.9 | -161.2 | 175.1 | -175.3 | -178 | 0 | 108.7 | L6 | L6-K8 PolarHBondContact O-N 3.19Å; L6-K8 VanDerWaalsContact O-N 3.1Å | ||
| 9 | R | 62.7 | Low | 67.3 | Low | 159 Ų | 159 | 123.7 Ų | 123.7 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | trans | -53 | 136.9 | 176.7 | 50.9 | -179.6 | 152.3 | 155.3 | -1.8 | 109.6 | V7 I11 S73 H75 | V7-R9 PolarHBondContact O-N 3.13Å; R9-I11 PolarHBondContact O-N 3.44Å; R9-S73 PolarHBondContact NH2-OG 2.94Å; R9-H75 PolarHBondContact NH2-NE2 2.91Å | ||
| 10 | S | 75.1 | Confident | 67.6 | Low | 82 Ų | 82 | 118.4 Ų | 118.4 | 57% | 0.573 | 58% | 0.579 | S | S | * | * | trans | -56.2 | 137.2 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | L12 | S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact OG-N 3.43Å | ||
| 11 | I | 83.8 | Confident | 67.5 | Low | 77 Ų | 77 | 116.8 Ų | 116.8 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | trans | -83.5 | -12.6 | 174.6 | 47.4 | 165.1 | 0 | 0 | 0 | 112.1 | R9 S14 V35 Y52 | R9-I11 PolarHBondContact O-N 3.44Å; I11-S14 WeakPolarHBondContact O-CB 3.33Å; I11-S14 PolarHBondContact O-N 3.33Å; I11-S14 VanDerWaalsContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 3.28Å; I11-V35 HydrophobicContact CD1-CB 4.41Å; I11-V35 HydrophobicContact CD1-CG1 4.22Å; I11-V35 HydrophobicContact CD1-CG2 3.53Å; I11-V35 HydrophobicContact CG1-CG2 4.02Å; I11-Y52 HydrophobicContact CD1-CD1 4.19Å; I11-Y52 HydrophobicContact CD1-CE1 3.5Å | ||
| 12 | L | 89.6 | Confident | 68.7 | Low | 85 Ų | 85 | 111.1 Ų | 111.1 | 45% | 0.445 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | 140.6 | 170.7 | -52.7 | -176.7 | 0 | 0 | 0 | 110 | S10 S14 V32 V35 | S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact OG-N 3.43Å; L12-S14 PolarHBondContact O-N 3.17Å; L12-V32 HydrophobicContact CD2-CG1 3.98Å; L12-V35 HydrophobicContact CD2-CB 4.44Å; L12-V35 HydrophobicContact CD2-CG2 3.73Å |
| 13 | G | 87.4 | Confident | 70 | Confident | 56 Ų | 56 | 105.4 Ų | 105.4 | 58% | 0.577 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -2.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | V32 | G13-V32 PolarHBondContact N-O 2.97Š|
| 14 | S | 89.8 | Confident | 71.3 | Confident | 45 Ų | 45 | 104 Ų | 104 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | trans | -74.8 | 138 | 176.5 | -63 | 0 | 0 | 0 | 0 | 111.4 | I11 L12 V31 V32 | I11-S14 WeakPolarHBondContact O-CB 3.33Å; I11-S14 PolarHBondContact O-N 3.33Å; I11-S14 VanDerWaalsContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 3.28Å; L12-S14 PolarHBondContact O-N 3.17Å; S14-V31 WeakPolarHBondContact O-CA 3.3Å; S14-V32 PolarHBondContact O-N 3.39Å | ||
| 15 | R | 90.9 | Very high | 72.4 | Confident | 143 Ų | 143 | 96 Ų | 96 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 132 | 169 | -173.5 | 175.9 | -64 | -81.1 | -3 | 110.1 | G30 G72 | R15-G30 CarbonylContact C-O 3.4Å; R15-G30 WeakPolarHBondContact CA-O 3.36Å; R15-G72 PolarHBondContact O-N 2.7Å |
| 16 | V | 91.4 | Very high | 73.7 | Confident | 4 Ų | 4 | 86.5 Ų | 86.5 | 2% | 0.024 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159.2 | -178.4 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | G30 V32 V54 I69 A71 | V16-G30 PolarHBondContact N-O 3.12Å; V16-G30 PolarHBondContact O-N 3.48Å; V16-V32 HydrophobicContact CB-CG2 4.47Å; V16-V32 HydrophobicContact CG1-CG2 3.57Å; V16-V32 HydrophobicContact CG2-CG2 4Å; V16-V54 HydrophobicContact CG2-CG1 3.76Å; V16-V54 HydrophobicContact CG2-CG2 3.96Å; V16-I69 HydrophobicContact CB-CG2 3.51Å; V16-I69 HydrophobicContact CG1-CG2 3.82Å; V16-I69 HydrophobicContact CG2-CG2 3.85Å; V16-A71 HydrophobicContact CG1-CB 4.38Å |
| 17 | Y | 89.8 | Confident | 75.5 | Confident | 106 Ų | 106 | 84 Ų | 84 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.9 | 171.8 | -58.1 | -93.8 | 0 | 0 | 0 | 107.5 | V28 T29 I69 A70 | Y17-V28 CarbonylContact C-O 3.6Å; Y17-V28 WeakPolarHBondContact CA-O 3.22Å; Y17-T29 HydrophobicContact CD1-CG2 3.75Å; Y17-T29 HydrophobicContact CE1-CG2 3.65Å; Y17-I69 CarbonylContact O-C 3.59Å; Y17-I69 WeakPolarHBondContact O-CA 3.49Å; Y17-A70 PolarHBondContact N-O 2.77Å; Y17-A70 PolarHBondContact O-N 3.39Å |
| 18 | A | 85.4 | Confident | 77.7 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 3% | 0.025 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S20 P27 V28 F64 E68 I69 | A18-S20 PolarHBondContact O-N 3.47Å; A18-P27 CarbonylContact O-C 3.57Å; A18-P27 WeakPolarHBondContact O-CA 3.4Å; A18-V28 PolarHBondContact N-O 2.89Å; A18-V28 PolarHBondContact O-N 3.19Å; A18-F64 HydrophobicContact CB-CD1 3.68Å; A18-F64 HydrophobicContact CB-CD2 4.06Å; A18-F64 HydrophobicContact CB-CE1 3.52Å; A18-F64 HydrophobicContact CB-CE2 3.92Å; A18-F64 HydrophobicContact CB-CG 3.93Å; A18-F64 HydrophobicContact CB-CZ 3.63Å; A18-E68 VanDerWaalsContact CA-O 3.3Å; A18-E68 WeakPolarHBondContact CA-O 3.47Å; A18-I69 HydrophobicContact CB-CG1 4.49Å |
| 19 | T | 81.2 | Confident | 79.5 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 47% | 0.466 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.6 | 176.3 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | E68 | T19-E68 PolarHBondContact N-O 3.42Å |
| 20 | S | 72.9 | Confident | 81 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 12% | 0.119 | 41% | 0.406 | C | S | . | . | trans | -59 | 131 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | A18 T22 D24 A26 | A18-S20 PolarHBondContact O-N 3.47Å; S20-T22 PolarHBondContact O-N 3.4Å; S20-T22 WeakPolarHBondContact OG-CB 3.39Å; S20-T22 PolarHBondContact OG-N 3.27Å; S20-T22 PolarHBondContact OG-OG1 3.31Å; S20-D24 WeakPolarHBondContact CB-OD1 3.28Å; S20-D24 PolarHBondContact OG-OD1 2.92Å; S20-A26 WeakPolarHBondContact CB-O 3.36Å; S20-A26 PolarHBondContact N-O 3.27Å; S20-A26 VanDerWaalsContact N-O 3.12Å | ||
| 21 | P | 64.6 | Low | 81.9 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.6 | 176 | 33.6 | -38.9 | 0 | 0 | 0 | 112.8 | G23 K62 | P21-G23 PolarHBondContact O-N 2.79Å; P21-K62 HydrophobicContact CG-CD 4.28Å |
| 22 | T | 66.9 | Low | 82.4 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 72% | 0.718 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.4 | -175 | -44.9 | 0 | 0 | 0 | 0 | 112.3 | S20 D24 | S20-T22 PolarHBondContact O-N 3.4Å; S20-T22 WeakPolarHBondContact OG-CB 3.39Å; S20-T22 PolarHBondContact OG-N 3.27Å; S20-T22 PolarHBondContact OG-OG1 3.31Å; T22-D24 PolarHBondContact O-N 2.94Å |
| 23 | G | 63.9 | Low | 82.6 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 75% | 0.753 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 76.8 | 5.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | P21 G25 | P21-G23 PolarHBondContact O-N 2.79Å; G23-G25 PolarHBondContact O-N 2.97Å |
| 24 | D | 71.1 | Confident | 82.8 | Confident | 102 Ų | 102 | 58.5 Ų | 58.5 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -76 | -7.7 | 174.6 | 63 | -36 | 0 | 0 | 0 | 113.3 | S20 T22 A26 | S20-D24 WeakPolarHBondContact CB-OD1 3.28Å; S20-D24 PolarHBondContact OG-OD1 2.92Å; T22-D24 PolarHBondContact O-N 2.94Å; D24-A26 PolarHBondContact O-N 3.26Å; D24-A26 VanDerWaalsContact O-N 3.13Å; D24-A26 WeakPolarHBondContact OD2-CB 3.28Å |
| 25 | G | 69.3 | Low | 82.8 | Confident | 65 Ų | 65 | 59 Ų | 59 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | trans | 71.2 | 1.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G23 | G23-G25 PolarHBondContact O-N 2.97Š| ||
| 26 | A | 77.1 | Confident | 82.8 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 134.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S20 D24 V28 | S20-A26 WeakPolarHBondContact CB-O 3.36Å; S20-A26 PolarHBondContact N-O 3.27Å; S20-A26 VanDerWaalsContact N-O 3.12Å; D24-A26 PolarHBondContact O-N 3.26Å; D24-A26 VanDerWaalsContact O-N 3.13Å; D24-A26 WeakPolarHBondContact OD2-CB 3.28Å; A26-V28 PolarHBondContact O-N 3.18Å |
| 27 | P | 81.2 | Confident | 82.5 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.1 | 172.6 | 29.5 | -32.2 | 0 | 0 | 0 | 110.2 | A18 | A18-P27 CarbonylContact O-C 3.57Å; A18-P27 WeakPolarHBondContact O-CA 3.4Å |
| 28 | V | 85.5 | Confident | 81.8 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.4 | 174.4 | -164.2 | 0 | 0 | 0 | 0 | 109.1 | Y17 A18 A26 L56 | Y17-V28 CarbonylContact C-O 3.6Å; Y17-V28 WeakPolarHBondContact CA-O 3.22Å; A18-V28 PolarHBondContact N-O 2.89Å; A18-V28 PolarHBondContact O-N 3.19Å; A26-V28 PolarHBondContact O-N 3.18Å; V28-L56 HydrophobicContact CB-CD2 4.35Å; V28-L56 HydrophobicContact CG1-CB 4.44Å; V28-L56 HydrophobicContact CG1-CD1 4.22Å; V28-L56 HydrophobicContact CG1-CD2 3.85Å; V28-L56 HydrophobicContact CG1-CG 4.4Å |
| 29 | T | 90.9 | Very high | 80.7 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 19% | 0.19 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.2 | 177.3 | 89.4 | 0 | 0 | 0 | 0 | 111.6 | Y17 Q57 | Y17-T29 HydrophobicContact CD1-CG2 3.75Å; Y17-T29 HydrophobicContact CE1-CG2 3.65Å; T29-Q57 PolarHBondContact O-N 3.28Å; T29-Q57 PolarHBondContact OG1-OE1 2.89Å |
| 30 | G | 92.6 | Very high | 79.9 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.021 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -177.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R15 V16 L55 | R15-G30 CarbonylContact C-O 3.4Å; R15-G30 WeakPolarHBondContact CA-O 3.36Å; V16-G30 PolarHBondContact N-O 3.12Å; V16-G30 PolarHBondContact O-N 3.48Å; G30-L55 CarbonylContact C-O 3.5Å; G30-L55 WeakPolarHBondContact CA-O 3.32Å |
| 31 | V | 93.8 | Very high | 79.1 | Confident | 39 Ų | 39 | 79 Ų | 79 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.6 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | S14 Q33 V54 L55 | S14-V31 WeakPolarHBondContact O-CA 3.3Å; V31-Q33 PolarHBondContact O-N 3.16Å; V31-V54 CarbonylContact O-C 3.59Å; V31-V54 WeakPolarHBondContact O-CA 3.48Å; V31-L55 PolarHBondContact N-O 3.42Å; V31-L55 PolarHBondContact O-N 3.08Å |
| 32 | V | 94.3 | Very high | 78.7 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.012 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 116.5 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | L12 G13 S14 V16 V35 Y52 V54 | L12-V32 HydrophobicContact CD2-CG1 3.98Å; G13-V32 PolarHBondContact N-O 2.97Å; S14-V32 PolarHBondContact O-N 3.39Å; V16-V32 HydrophobicContact CB-CG2 4.47Å; V16-V32 HydrophobicContact CG1-CG2 3.57Å; V16-V32 HydrophobicContact CG2-CG2 4Å; V32-V35 HydrophobicContact CG1-CG2 3.69Å; V32-Y52 HydrophobicContact CG1-CD1 4.17Å; V32-Y52 HydrophobicContact CG2-CD1 4.36Å; V32-V54 HydrophobicContact CG2-CG2 4.44Å |
| 33 | Q | 94.4 | Very high | 78.3 | Confident | 104 Ų | 104 | 80.8 Ų | 80.8 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -37.2 | 178.8 | -68.1 | -70.7 | 82.6 | 0 | 0 | 112.5 | V31 T53 L55 L61 | V31-Q33 PolarHBondContact O-N 3.16Å; Q33-T53 PolarHBondContact N-O 3.08Å; Q33-L55 HydrophobicContact CG-CB 3.72Å; Q33-L61 HydrophobicContact CB-CD2 4.44Å; Q33-L61 HydrophobicContact CG-CD2 3.98Å |
| 34 | A | 92.2 | Very high | 78 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 35% | 0.347 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 157.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T53 | A34-T53 PolarHBondContact N-O 2.99Å; A34-T53 PolarHBondContact O-N 3.35Å |
| 35 | V | 90.4 | Very high | 77.3 | Confident | 55 Ų | 55 | 80 Ų | 80 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 117.9 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | I11 L12 V32 V51 Y52 | I11-V35 HydrophobicContact CD1-CB 4.41Å; I11-V35 HydrophobicContact CD1-CG1 4.22Å; I11-V35 HydrophobicContact CD1-CG2 3.53Å; I11-V35 HydrophobicContact CG1-CG2 4.02Å; L12-V35 HydrophobicContact CD2-CB 4.44Å; L12-V35 HydrophobicContact CD2-CG2 3.73Å; V32-V35 HydrophobicContact CG1-CG2 3.69Å; V35-V51 CarbonylContact C-O 3.51Å; V35-V51 WeakPolarHBondContact CA-O 3.32Å; V35-Y52 HydrophobicContact CG2-CD1 3.85Å; V35-Y52 HydrophobicContact CG2-CE1 4.26Å; V35-Y52 HydrophobicContact CG2-CG 4.46Å |
| 36 | K | 89.8 | Confident | 76.8 | Confident | 141 Ų | 141 | 79 Ų | 79 | 61% | 0.613 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105.4 | 177.7 | -178.6 | -178.5 | 177.2 | -174 | 0 | 107.9 | V51 | K36-V51 HydrophobicContact CB-CB 4.49Å; K36-V51 PolarHBondContact N-O 3.36Å; K36-V51 PolarHBondContact O-N 3.35Å |
| 37 | Q | 85.5 | Confident | 76 | Confident | 109 Ų | 109 | 83 Ų | 83 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.7 | 174 | -170.1 | 170.8 | 16.8 | 0 | 0 | 109.5 | N39 | Q37-N39 PolarHBondContact O-N 3.14Å; Q37-N39 VanDerWaalsContact O-N 3.13Å |
| 38 | E | 75.9 | Confident | 75.5 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 98.5 | 172.8 | -168.6 | -170 | 174.7 | 0 | 0 | 108.8 | R40 R49 | E38-R40 PolarHBondContact O-N 2.66Å; E38-R49 HydrophobicContact CB-CB 4.37Å; E38-R49 WeakPolarHBondContact CB-O 3.43Å; E38-R49 PolarHBondContact N-O 3.24Å |
| 39 | N | 60.5 | Low | 75.2 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | trans | -85 | 87.8 | 173.3 | -165.1 | 25 | 0 | 0 | 0 | 109.9 | Q37 R48 | Q37-N39 PolarHBondContact O-N 3.14Å; Q37-N39 VanDerWaalsContact O-N 3.13Å; N39-R48 VanDerWaalsContact CG-NH2 3.29Å; N39-R48 PolarHBondContact OD1-NH2 3.13Å | ||
| 40 | R | 64.5 | Low | 75 | Confident | 172 Ų | 172 | 90.4 Ų | 90.4 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | trans | -69.9 | 139.5 | 171.8 | -165.1 | 176.7 | -177.2 | -152 | -1.6 | 110 | E38 A44 | E38-R40 PolarHBondContact O-N 2.66Å; R40-A44 HydrophobicContact CG-CB 4.46Å | ||
| 41 | D | 56.1 | Low | 74.9 | Confident | 137 Ų | 137 | 92.2 Ų | 92.2 | 73% | 0.733 | 52% | 0.517 | S | S | * | . | trans | -51 | 140.8 | -176.1 | -60.4 | -76.2 | 0 | 0 | 0 | 113.2 | S43 A44 | D41-S43 PolarHBondContact O-N 3.43Å; D41-A44 PolarHBondContact O-N 3.03Å; D41-A44 VanDerWaalsContact O-N 3.16Å | ||
| 42 | A | 57 | Low | 74.8 | Confident | 113 Ų | 113 | 91.9 Ų | 91.9 | 93% | 0.934 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 4.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 43 | S | 59.2 | Low | 74.9 | Confident | 127 Ų | 127 | 93.2 Ų | 93.2 | 89% | 0.888 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.8 | 173.6 | -68.2 | 0 | 0 | 0 | 0 | 114.3 | D41 | D41-S43 PolarHBondContact O-N 3.43Š|
| 44 | A | 56.4 | Low | 74.8 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | trans | -104.2 | 109.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R40 D41 G46 | R40-A44 HydrophobicContact CG-CB 4.46Å; D41-A44 PolarHBondContact O-N 3.03Å; D41-A44 VanDerWaalsContact O-N 3.16Å; A44-G46 PolarHBondContact O-N 3.33Å | ||
| 45 | A | 56.5 | Low | 74.9 | Confident | 122 Ų | 122 | 89.1 Ų | 89.1 | 100% | 1.008 | 50% | 0.496 | S | S | * | . | trans | -73.1 | 59.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | G | 59.1 | Low | 75.1 | Confident | 43 Ų | 43 | 87.1 Ų | 87.1 | 44% | 0.443 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -117.4 | 159.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A44 R48 | A44-G46 PolarHBondContact O-N 3.33Å; G46-R48 PolarHBondContact O-N 3Å |
| 47 | P | 60.6 | Low | 75.1 | Confident | 125 Ų | 125 | 88 Ų | 88 | 81% | 0.812 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 137.5 | 171.8 | -21.6 | 33.1 | 0 | 0 | 0 | 111.2 | R49 | P47-R49 PolarHBondContact O-N 3.2Š|
| 48 | R | 69.4 | Low | 75.1 | Confident | 139 Ų | 139 | 88.7 Ų | 88.7 | 53% | 0.525 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 128.8 | 170.8 | -56.5 | -177.2 | 98.5 | 176.5 | 7.1 | 107.7 | N39 G46 | N39-R48 VanDerWaalsContact CG-NH2 3.29Å; N39-R48 PolarHBondContact OD1-NH2 3.13Å; G46-R48 PolarHBondContact O-N 3Å |
| 49 | R | 80.3 | Confident | 75.7 | Confident | 163 Ų | 163 | 86.7 Ų | 86.7 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.2 | 178.9 | -73.6 | 178.8 | 170.6 | 159.3 | -4.5 | 110.3 | E38 P47 | E38-R49 HydrophobicContact CB-CB 4.37Å; E38-R49 WeakPolarHBondContact CB-O 3.43Å; E38-R49 PolarHBondContact N-O 3.24Å; P47-R49 PolarHBondContact O-N 3.2Å |
| 50 | S | 87.1 | Confident | 77.2 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 12% | 0.119 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.5 | 175.4 | -48.2 | 0 | 0 | 0 | 0 | 108.2 | E66 | S50-E66 VanDerWaalsContact CB-OE2 3.26Å; S50-E66 WeakPolarHBondContact CB-OE2 3.47Å; S50-E66 PolarHBondContact O-N 3.42Å; S50-E66 VanDerWaalsContact O-N 3.17Å; S50-E66 PolarHBondContact OG-OE2 3.44Å |
| 51 | V | 91 | Very high | 78.5 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.6 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | V35 K36 E63 | V35-V51 CarbonylContact C-O 3.51Å; V35-V51 WeakPolarHBondContact CA-O 3.32Å; K36-V51 HydrophobicContact CB-CB 4.49Å; K36-V51 PolarHBondContact N-O 3.36Å; K36-V51 PolarHBondContact O-N 3.35Å; V51-E63 HydrophobicContact CG1-CB 3.91Å; V51-E63 HydrophobicContact CG1-CG 4.32Å |
| 52 | Y | 91.9 | Very high | 80.1 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 13% | 0.125 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.5 | -175.1 | -57.6 | -119.1 | 0 | 0 | 0 | 108.6 | I11 V32 V35 E63 F64 E66 I69 | I11-Y52 HydrophobicContact CD1-CD1 4.19Å; I11-Y52 HydrophobicContact CD1-CE1 3.5Å; V32-Y52 HydrophobicContact CG1-CD1 4.17Å; V32-Y52 HydrophobicContact CG2-CD1 4.36Å; V35-Y52 HydrophobicContact CG2-CD1 3.85Å; V35-Y52 HydrophobicContact CG2-CE1 4.26Å; V35-Y52 HydrophobicContact CG2-CG 4.46Å; Y52-E63 WeakPolarHBondContact O-CA 3.29Å; Y52-F64 PolarHBondContact N-O 3.1Å; Y52-F64 PolarHBondContact O-N 3.19Å; Y52-E66 HydrophobicContact CE2-CB 3.91Å; Y52-E66 HydrophobicContact CE2-CG 4.16Å; Y52-I69 HydrophobicContact CD1-CD1 4.01Å; Y52-I69 HydrophobicContact CD2-CD1 3.4Å; Y52-I69 VanDerWaalsContact CD2-CD1 3.4Å; Y52-I69 HydrophobicContact CE2-CD1 4.17Å; Y52-I69 HydrophobicContact CG-CD1 3.35Å |
| 53 | T | 94.3 | Very high | 81.8 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 19% | 0.19 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 113.6 | 169.4 | -43.7 | 0 | 0 | 0 | 0 | 108 | Q33 A34 L61 | Q33-T53 PolarHBondContact N-O 3.08Å; A34-T53 PolarHBondContact N-O 2.99Å; A34-T53 PolarHBondContact O-N 3.35Å; T53-L61 HydrophobicContact CG2-CB 4.41Å; T53-L61 HydrophobicContact CG2-CD2 4.3Å |
| 54 | V | 94 | Very high | 83.3 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.5 | -176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | V16 V31 V32 L56 L61 K62 F64 | V16-V54 HydrophobicContact CG2-CG1 3.76Å; V16-V54 HydrophobicContact CG2-CG2 3.96Å; V31-V54 CarbonylContact O-C 3.59Å; V31-V54 WeakPolarHBondContact O-CA 3.48Å; V32-V54 HydrophobicContact CG2-CG2 4.44Å; V54-L56 HydrophobicContact CG1-CD2 4.01Å; V54-L56 PolarHBondContact O-N 2.92Å; V54-L61 WeakPolarHBondContact O-CA 3.46Å; V54-K62 PolarHBondContact N-O 3.28Å; V54-K62 PolarHBondContact O-N 2.88Å; V54-F64 HydrophobicContact CB-CD2 3.94Å; V54-F64 HydrophobicContact CB-CE2 4.04Å; V54-F64 HydrophobicContact CG2-CD2 3.83Å; V54-F64 HydrophobicContact CG2-CE2 4.39Å |
| 55 | L | 94.5 | Very high | 84.8 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 31% | 0.314 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109.7 | 166.7 | -179.9 | 63.5 | 0 | 0 | 0 | 108.6 | G30 V31 Q33 G59 L61 | G30-L55 CarbonylContact C-O 3.5Å; G30-L55 WeakPolarHBondContact CA-O 3.32Å; V31-L55 PolarHBondContact N-O 3.42Å; V31-L55 PolarHBondContact O-N 3.08Å; Q33-L55 HydrophobicContact CG-CB 3.72Å; L55-G59 WeakPolarHBondContact CD1-O 3.41Å; L55-L61 HydrophobicContact CB-CD2 3.8Å; L55-L61 HydrophobicContact CD1-CD2 3.9Å; L55-L61 HydrophobicContact CD1-CG 4.18Å; L55-L61 HydrophobicContact CG-CD2 4.44Å |
| 56 | L | 92.8 | Very high | 86.1 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 162.5 | 179.2 | -61.6 | -177.9 | 0 | 0 | 0 | 111.1 | V28 V54 D58 G59 S60 K62 F64 | V28-L56 HydrophobicContact CB-CD2 4.35Å; V28-L56 HydrophobicContact CG1-CB 4.44Å; V28-L56 HydrophobicContact CG1-CD1 4.22Å; V28-L56 HydrophobicContact CG1-CD2 3.85Å; V28-L56 HydrophobicContact CG1-CG 4.4Å; V54-L56 HydrophobicContact CG1-CD2 4.01Å; V54-L56 PolarHBondContact O-N 2.92Å; L56-D58 VanDerWaalsContact CB-OD1 3.28Å; L56-D58 WeakPolarHBondContact CB-OD1 3.45Å; L56-D58 PolarHBondContact O-N 2.76Å; L56-G59 PolarHBondContact O-N 3.37Å; L56-S60 PolarHBondContact N-O 3.47Å; L56-K62 HydrophobicContact CD1-CB 4.01Å; L56-K62 HydrophobicContact CD1-CD 4.25Å; L56-K62 HydrophobicContact CG-CB 4.5Å; L56-F64 HydrophobicContact CD1-CE2 4.41Å; L56-F64 HydrophobicContact CD1-CZ 4.24Å; L56-F64 HydrophobicContact CD2-CE2 3.91Å; L56-F64 HydrophobicContact CD2-CZ 4.11Å; L56-F64 HydrophobicContact CG-CE2 4.45Å |
| 57 | Q | 89.7 | Confident | 87.2 | Confident | 161 Ų | 161 | 75.1 Ų | 75.1 | 75% | 0.752 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.8 | -177.4 | -170.8 | 170.3 | 7 | 0 | 0 | 114.1 | T29 G59 | T29-Q57 PolarHBondContact O-N 3.28Å; T29-Q57 PolarHBondContact OG1-OE1 2.89Å; Q57-G59 PolarHBondContact O-N 2.73Å |
| 58 | D | 87.1 | Confident | 88.3 | Confident | 122 Ų | 122 | 73 Ų | 73 | 65% | 0.652 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.2 | 172.1 | 64.6 | 1.2 | 0 | 0 | 0 | 113.5 | L56 S60 | L56-D58 VanDerWaalsContact CB-OD1 3.28Å; L56-D58 WeakPolarHBondContact CB-OD1 3.45Å; L56-D58 PolarHBondContact O-N 2.76Å; D58-S60 VanDerWaalsContact C-N 3.33Å; D58-S60 VanDerWaalsContact CG-OG 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.27Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.47Å; D58-S60 PolarHBondContact OD2-OG 2.82Å |
| 59 | G | 88.1 | Confident | 89 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 84.6 | -0.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L55 L56 Q57 | L55-G59 WeakPolarHBondContact CD1-O 3.41Å; L56-G59 PolarHBondContact O-N 3.37Å; Q57-G59 PolarHBondContact O-N 2.73Å |
| 60 | S | 91.1 | Very high | 89 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | trans | -78.6 | 146.1 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | L56 D58 | L56-S60 PolarHBondContact N-O 3.47Å; D58-S60 VanDerWaalsContact C-N 3.33Å; D58-S60 VanDerWaalsContact CG-OG 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.27Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.47Å; D58-S60 PolarHBondContact OD2-OG 2.82Å | ||
| 61 | L | 92.5 | Very high | 88.1 | Confident | 111 Ų | 111 | 65 Ų | 65 | 58% | 0.581 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.5 | 169.4 | -71.9 | 167.9 | 0 | 0 | 0 | 108.5 | Q33 T53 V54 L55 | Q33-L61 HydrophobicContact CB-CD2 4.44Å; Q33-L61 HydrophobicContact CG-CD2 3.98Å; T53-L61 HydrophobicContact CG2-CB 4.41Å; T53-L61 HydrophobicContact CG2-CD2 4.3Å; V54-L61 WeakPolarHBondContact O-CA 3.46Å; L55-L61 HydrophobicContact CB-CD2 3.8Å; L55-L61 HydrophobicContact CD1-CD2 3.9Å; L55-L61 HydrophobicContact CD1-CG 4.18Å; L55-L61 HydrophobicContact CG-CD2 4.44Å |
| 62 | K | 90.4 | Very high | 86.4 | Confident | 72 Ų | 72 | 66 Ų | 66 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.3 | 179.1 | -174.9 | 170.8 | 169.5 | 82.5 | 0 | 111.2 | P21 V54 L56 F64 | P21-K62 HydrophobicContact CG-CD 4.28Å; V54-K62 PolarHBondContact N-O 3.28Å; V54-K62 PolarHBondContact O-N 2.88Å; L56-K62 HydrophobicContact CD1-CB 4.01Å; L56-K62 HydrophobicContact CD1-CD 4.25Å; L56-K62 HydrophobicContact CG-CB 4.5Å; K62-F64 HydrophobicContact CB-CD2 4.42Å; K62-F64 HydrophobicContact CB-CE2 3.72Å; K62-F64 HydrophobicContact CB-CZ 4.13Å; K62-F64 HydrophobicContact CD-CE1 4Å; K62-F64 HydrophobicContact CD-CE2 4.01Å; K62-F64 HydrophobicContact CD-CZ 3.53Å; K62-F64 HydrophobicContact CG-CD2 4.32Å; K62-F64 HydrophobicContact CG-CE1 4.37Å; K62-F64 HydrophobicContact CG-CE2 3.76Å; K62-F64 HydrophobicContact CG-CZ 3.82Å |
| 63 | E | 92.6 | Very high | 84.1 | Confident | 115 Ų | 115 | 66.3 Ų | 66.3 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 138.5 | 173.6 | -63.1 | -170.6 | 143.4 | 0 | 0 | 110.3 | V51 Y52 | V51-E63 HydrophobicContact CG1-CB 3.91Å; V51-E63 HydrophobicContact CG1-CG 4.32Å; Y52-E63 WeakPolarHBondContact O-CA 3.29Å |
| 64 | F | 89.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.018 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.8 | 177.8 | -64.3 | -85.3 | 0 | 0 | 0 | 109.6 | A18 Y52 V54 L56 K62 E68 I69 | A18-F64 HydrophobicContact CB-CD1 3.68Å; A18-F64 HydrophobicContact CB-CD2 4.06Å; A18-F64 HydrophobicContact CB-CE1 3.52Å; A18-F64 HydrophobicContact CB-CE2 3.92Å; A18-F64 HydrophobicContact CB-CG 3.93Å; A18-F64 HydrophobicContact CB-CZ 3.63Å; Y52-F64 PolarHBondContact N-O 3.1Å; Y52-F64 PolarHBondContact O-N 3.19Å; V54-F64 HydrophobicContact CB-CD2 3.94Å; V54-F64 HydrophobicContact CB-CE2 4.04Å; V54-F64 HydrophobicContact CG2-CD2 3.83Å; V54-F64 HydrophobicContact CG2-CE2 4.39Å; L56-F64 HydrophobicContact CD1-CE2 4.41Å; L56-F64 HydrophobicContact CD1-CZ 4.24Å; L56-F64 HydrophobicContact CD2-CE2 3.91Å; L56-F64 HydrophobicContact CD2-CZ 4.11Å; L56-F64 HydrophobicContact CG-CE2 4.45Å; K62-F64 HydrophobicContact CB-CD2 4.42Å; K62-F64 HydrophobicContact CB-CE2 3.72Å; K62-F64 HydrophobicContact CB-CZ 4.13Å; K62-F64 HydrophobicContact CD-CE1 4Å; K62-F64 HydrophobicContact CD-CE2 4.01Å; K62-F64 HydrophobicContact CD-CZ 3.53Å; K62-F64 HydrophobicContact CG-CD2 4.32Å; K62-F64 HydrophobicContact CG-CE1 4.37Å; K62-F64 HydrophobicContact CG-CE2 3.76Å; K62-F64 HydrophobicContact CG-CZ 3.82Å; F64-E68 WeakPolarHBondContact CA-OE2 3.47Å; F64-E68 HydrophobicContact CB-CB 4.27Å; F64-E68 HydrophobicContact CD1-CB 4.3Å; F64-I69 HydrophobicContact CB-CD1 3.61Å; F64-I69 HydrophobicContact CB-CG1 3.59Å; F64-I69 HydrophobicContact CG-CG1 4.4Å |
| 65 | S | 87.8 | Confident | 79.4 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 17% | 0.168 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 166.1 | 173.7 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | E67 E68 I69 | S65-E67 VanDerWaalsContact CB-CD 3.49Å; S65-E67 WeakPolarHBondContact CB-OE2 3.44Å; S65-E67 PolarHBondContact O-N 3.48Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-OE1 2.95Å; S65-E67 VanDerWaalsContact OG-OE1 3.07Å; S65-E67 PolarHBondContact OG-OE2 3.33Å; S65-E68 PolarHBondContact N-OE2 3.23Å; S65-E68 PolarHBondContact O-N 3.31Å; S65-E68 VanDerWaalsContact O-N 3.08Å; S65-E68 WeakPolarHBondContact OG-CG 3.31Å; S65-E68 PolarHBondContact OG-OE2 3.24Å; S65-I69 WeakPolarHBondContact O-CD1 3.31Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.49Å |
| 66 | E | 84.2 | Confident | 76.7 | Confident | 100 Ų | 100 | 82.3 Ų | 82.3 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -58 | -34.9 | -179.8 | -166.1 | 165.5 | 160.7 | 0 | 0 | 112.6 | S50 Y52 | S50-E66 VanDerWaalsContact CB-OE2 3.26Å; S50-E66 WeakPolarHBondContact CB-OE2 3.47Å; S50-E66 PolarHBondContact O-N 3.42Å; S50-E66 VanDerWaalsContact O-N 3.17Å; S50-E66 PolarHBondContact OG-OE2 3.44Å; Y52-E66 HydrophobicContact CE2-CB 3.91Å; Y52-E66 HydrophobicContact CE2-CG 4.16Å |
| 67 | E | 82.4 | Confident | 74.1 | Confident | 148 Ų | 148 | 87.4 Ų | 87.4 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -73.4 | -19.2 | 176.9 | 61.8 | -88.6 | -158.5 | 0 | 0 | 114.9 | S65 | S65-E67 VanDerWaalsContact CB-CD 3.49Å; S65-E67 WeakPolarHBondContact CB-OE2 3.44Å; S65-E67 PolarHBondContact O-N 3.48Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-OE1 2.95Å; S65-E67 VanDerWaalsContact OG-OE1 3.07Å; S65-E67 PolarHBondContact OG-OE2 3.33Å |
| 68 | E | 83.8 | Confident | 71.6 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -88.1 | -7.8 | 179.5 | -70.3 | 176.1 | 129.4 | 0 | 0 | 113.3 | A18 T19 F64 S65 | A18-E68 VanDerWaalsContact CA-O 3.3Å; A18-E68 WeakPolarHBondContact CA-O 3.47Å; T19-E68 PolarHBondContact N-O 3.42Å; F64-E68 WeakPolarHBondContact CA-OE2 3.47Å; F64-E68 HydrophobicContact CB-CB 4.27Å; F64-E68 HydrophobicContact CD1-CB 4.3Å; S65-E68 PolarHBondContact N-OE2 3.23Å; S65-E68 PolarHBondContact O-N 3.31Å; S65-E68 VanDerWaalsContact O-N 3.08Å; S65-E68 WeakPolarHBondContact OG-CG 3.31Å; S65-E68 PolarHBondContact OG-OE2 3.24Å |
| 69 | I | 83.3 | Confident | 69.5 | Low | 24 Ų | 24 | 88.6 Ų | 88.6 | 12% | 0.123 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 111.6 | -166.4 | -53.7 | 168 | 0 | 0 | 0 | 112.2 | V16 Y17 A18 Y52 F64 S65 A71 | V16-I69 HydrophobicContact CB-CG2 3.51Å; V16-I69 HydrophobicContact CG1-CG2 3.82Å; V16-I69 HydrophobicContact CG2-CG2 3.85Å; Y17-I69 CarbonylContact O-C 3.59Å; Y17-I69 WeakPolarHBondContact O-CA 3.49Å; A18-I69 HydrophobicContact CB-CG1 4.49Å; Y52-I69 HydrophobicContact CD1-CD1 4.01Å; Y52-I69 HydrophobicContact CD2-CD1 3.4Å; Y52-I69 VanDerWaalsContact CD2-CD1 3.4Å; Y52-I69 HydrophobicContact CE2-CD1 4.17Å; Y52-I69 HydrophobicContact CG-CD1 3.35Å; F64-I69 HydrophobicContact CB-CD1 3.61Å; F64-I69 HydrophobicContact CB-CG1 3.59Å; F64-I69 HydrophobicContact CG-CG1 4.4Å; S65-I69 WeakPolarHBondContact O-CD1 3.31Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.49Å; I69-A71 PolarHBondContact O-N 3.25Å |
| 70 | A | 80.3 | Confident | 66.9 | Low | 63 Ų | 63 | 88.7 Ų | 88.7 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 105.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y17 G72 | Y17-A70 PolarHBondContact N-O 2.77Å; Y17-A70 PolarHBondContact O-N 3.39Å; A70-G72 PolarHBondContact O-N 3.44Å |
| 71 | A | 69.1 | Low | 64.4 | Low | 65 Ų | 65 | 92.8 Ų | 92.8 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V16 I69 S73 | V16-A71 HydrophobicContact CG1-CB 4.38Å; I69-A71 PolarHBondContact O-N 3.25Å; A71-S73 PolarHBondContact O-N 2.83Å |
| 72 | G | 56.4 | Low | 61.8 | Low | 58 Ų | 58 | 95.7 Ų | 95.7 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -71.6 | 32.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R15 A70 | R15-G72 PolarHBondContact O-N 2.7Å; A70-G72 PolarHBondContact O-N 3.44Å |
| 73 | S | 43 | Very low | 59.3 | Low | 39 Ų | 39 | 102.1 Ų | 102.1 | 27% | 0.273 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -113.9 | 119.1 | -179.6 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | R9 A71 H75 | R9-S73 PolarHBondContact NH2-OG 2.94Å; A71-S73 PolarHBondContact O-N 2.83Å; S73-H75 PolarHBondContact O-CD2 3.2Å; S73-H75 PolarHBondContact O-N 3.08Å; S73-H75 PolarHBondContact OG-CD2 3.15Å; S73-H75 PolarHBondContact OG-NE2 3.07Å |
| 74 | N | 43.1 | Very low | 56.3 | Low | 161 Ų | 161 | 102.6 Ų | 102.6 | 86% | 0.861 | 61% | 0.612 | S | S | * | * | trans | -51.9 | 86.6 | -174.1 | -59.3 | -76 | 0 | 0 | 0 | 114.3 | ||||
| 75 | H | 45.8 | Very low | 53.7 | Low | 135 Ų | 135 | 107.7 Ų | 107.7 | 63% | 0.625 | 65% | 0.648 | S | S | * | * | trans | -142.6 | 53.5 | 178.1 | -64.9 | -70 | 0 | 0 | 0 | 112.4 | R9 S73 | R9-H75 PolarHBondContact NH2-NE2 2.91Å; S73-H75 PolarHBondContact O-CD2 3.2Å; S73-H75 PolarHBondContact O-N 3.08Å; S73-H75 PolarHBondContact OG-CD2 3.15Å; S73-H75 PolarHBondContact OG-NE2 3.07Å | ||
| 76 | T | 37.3 | Very low | 51.1 | Low | 132 Ų | 132 | 114 Ų | 114 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | trans | -125.2 | 87.6 | 163.3 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | A78 | T76-A78 PolarHBondContact O-N 3.1Š| ||
| 77 | A | 38.9 | Very low | 48.8 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 98% | 0.975 | 69% | 0.694 | S | S | * | * | trans | -76.7 | 70.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 78 | A | 38 | Very low | 46.4 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | -125.3 | 120.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T76 G80 | T76-A78 PolarHBondContact O-N 3.1Å; A78-G80 PolarHBondContact O-N 3.11Å | ||
| 79 | K | 42 | Very low | 43.8 | Very low | 224 Ų | 224 | 120.4 Ų | 120.4 | 97% | 0.974 | 72% | 0.717 | S | S | * | * | trans | -53.1 | 122.8 | -169.1 | -59.8 | -100.3 | -174.6 | 168.3 | 0 | 113.8 | ||||
| 80 | G | 33.7 | Very low | 41.3 | Very low | 58 Ų | 58 | 125.5 Ų | 125.5 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | trans | -172.8 | 123.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A78 L82 | A78-G80 PolarHBondContact O-N 3.11Å; G80-L82 PolarHBondContact O-N 3.1Å | ||
| 81 | P | 38.6 | Very low | 39.1 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -85.1 | 89.8 | -176.6 | 33 | -33 | 0 | 0 | 0 | 111.3 | ||||
| 82 | L | 38.7 | Very low | 37.2 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -108.6 | 132.2 | 171.4 | -64.5 | 179.4 | 0 | 0 | 0 | 110.9 | G80 | G80-L82 PolarHBondContact O-N 3.1Š| ||
| 83 | K | 37 | Very low | 36 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -81.6 | 139.8 | -165.4 | -61.1 | 176.8 | 179.2 | 178.9 | 0 | 111.2 | ||||
| 84 | S | 30.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -72.5 | 123.9 | 173.3 | 55.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 85 | S | 34.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -126 | 101.7 | 160.2 | -167.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 86 | L | 32.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | 81.5 | 126.7 | 86.5 | -164.6 | 70 | 0 | 0 | 0 | 112.8 | |||||
| 87 | K | 36.3 | Very low | 33.8 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | trans | -61.2 | 148.1 | -170.2 | -56.6 | 129 | 77.6 | 175.6 | 0 | 114.4 | ||||
| 88 | Q | 32.5 | Very low | 33.4 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -179.5 | 120.9 | 131.5 | -94.8 | 153.4 | 12.2 | 0 | 0 | 106.5 | ||||
| 89 | S | 29.3 | Very low | 33.1 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | 54.2 | 105.8 | 57.6 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 90 | S | 30.6 | Very low | 32.6 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | -179.1 | 168 | 126.1 | -95.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 91 | S | 33.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -97.6 | 168.3 | -163.8 | 50.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 92 | N | 30.8 | Very low | 31.9 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -21 | 145.5 | 167.7 | -52 | 3.3 | 0 | 0 | 0 | 118.9 | ||||
| 93 | G | 29.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 174 | 127.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 94 | V | 29.9 | Very low | 30.9 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -93.1 | 147.6 | 179 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 95 | S | 31.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 173.3 | 151.7 | 140 | -77 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 96 | D | 32.6 | Very low | 30.3 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -66.5 | 166 | 179.6 | -76.4 | -76.9 | 0 | 0 | 0 | 116.2 | ||||
| 97 | G | 30.1 | Very low | 30.8 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 136.6 | 71.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 98 | H | 30.8 | Very low | 30.3 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | 41.6 | 126.7 | 137.8 | -82.4 | -136.1 | 0 | 0 | 0 | 122.8 | ||||
| 99 | K | 30.5 | Very low | 30 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | 99.2 | 102.8 | 128.9 | -165.9 | 177.9 | 176.3 | -168.3 | 0 | 121.3 | |||||
| 100 | L | 31.1 | Very low | 30 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | 88.3 | 131.8 | 125.2 | -171 | 140.4 | 0 | 0 | 0 | 122.6 | |||||
| 101 | E | 28.6 | Very low | 30 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 63.7 | 122.6 | 158.6 | -77.7 | -132.9 | 93.2 | 0 | 0 | 123.9 | ||||
| 102 | S | 29.2 | Very low | 29.7 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 46 | 127.3 | 116.9 | -48.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 103 | G | 27 | Very low | 29.7 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | 164.9 | 130.6 | 160 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 104 | C | 27.5 | Very low | 29.7 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -104.7 | 166.4 | -178.3 | -148.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 105 | W | 26.2 | Very low | 30.5 | Very low | 246 Ų | 246 | 141.9 Ų | 141.9 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | 99.2 | 146.6 | 160.1 | -55.9 | -10.8 | 0 | 0 | 0 | 120.1 | ||||
| 106 | S | 26.8 | Very low | 30.5 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -112.5 | -168.9 | 174.1 | -145.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 107 | P | 42.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -139.8 | -160.4 | -0.4 | 37.8 | -14.1 | 0 | 0 | 0 | 114.7 | ||||
| 108 | E | 24.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 71.2 | 152.9 | 158.9 | -61.1 | -98.4 | 83.6 | 0 | 0 | 117.6 | ||||
| 109 | A | 27.1 | Very low | 31.1 | Very low | 70 Ų | 70 | 141 Ų | 141 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | cis | -169.2 | -175.9 | -17 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 110 | V | 29.8 | Very low | 31.4 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 71 | 151.8 | 158.6 | 145.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 111 | E | 29.7 | Very low | 31.6 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | cis | -175.4 | 153.9 | -24.4 | -171.9 | 178 | 85.6 | 0 | 0 | 108.3 | ||||
| 112 | E | 27.3 | Very low | 31.9 | Very low | 145 Ų | 145 | 140 Ų | 140 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 50.1 | 164.5 | 162.9 | -83.4 | -170.6 | 57.6 | 0 | 0 | 119.1 | ||||
| 113 | Q | 30.1 | Very low | 32.3 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -157.6 | 167.7 | 27.3 | -145 | 143.8 | 50.3 | 0 | 0 | 113.5 | ||||
| 114 | R | 31.4 | Very low | 32.8 | Very low | 230 Ų | 230 | 149.7 Ų | 149.7 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -63.3 | -179.2 | -169.6 | -83.1 | -76.3 | -170.6 | 119.9 | 0.5 | 118.5 | ||||
| 115 | P | 45.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -110.3 | -170.9 | -153 | 44.9 | -39.1 | 0 | 0 | 0 | 115.5 | ||||
| 116 | V | 32.4 | Very low | 35 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -139.6 | 152.7 | 163.8 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 117 | D | 34 | Very low | 35.3 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -90.4 | 163.3 | -166.6 | -170.8 | -88.9 | 0 | 0 | 0 | 114.9 | K119 | D117-K119 PolarHBondContact OD1-N 2.74Š| ||
| 118 | G | 31.7 | Very low | 35.3 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -162 | 42.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 119 | K | 39.3 | Very low | 36.1 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 73% | 0.726 | 76% | 0.757 | S | S | * | * | trans | -22.3 | 137.4 | 160.3 | -108.4 | 164.6 | 177.8 | 165.6 | 0 | 114.4 | D117 | D117-K119 PolarHBondContact OD1-N 2.74Š| ||
| 120 | R | 38.1 | Very low | 36.9 | Very low | 221 Ų | 221 | 147.2 Ų | 147.2 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | cis | -160.5 | -173.8 | 49.6 | -59.4 | 167.7 | -76.5 | -69.8 | 0.9 | 108.4 | ||||
| 121 | V | 34.8 | Very low | 37.4 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | cis | -144 | -117.6 | 12 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 122 | S | 34.3 | Very low | 38.1 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -173.3 | 135.1 | -159 | 171.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 123 | R | 37.3 | Very low | 38.8 | Very low | 246 Ų | 246 | 147.8 Ų | 147.8 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | 179.7 | 159.2 | 121.7 | -103.2 | -177.8 | 176.4 | 171.9 | -0.5 | 113.7 | |||||
| 124 | D | 38.6 | Very low | 39.3 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -143.7 | -169.9 | -164.7 | -166.1 | -129.9 | 0 | 0 | 0 | 108.2 | ||||
| 125 | P | 60.9 | Low | 39.7 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | -117.7 | -164.4 | -74 | 41.2 | -29.1 | 0 | 0 | 0 | 115.5 | |||||
| 126 | D | 37.3 | Very low | 39.6 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 114 | 154.2 | 138.6 | -126.5 | -51.7 | 0 | 0 | 0 | 122.6 | R128 | D126-R128 IonicContact OD1-NH1 3.2Š| ||
| 127 | A | 34.8 | Very low | 40.3 | Very low | 73 Ų | 73 | 153 Ų | 153 | 60% | 0.603 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 124.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 128 | R | 42.8 | Very low | 41 | Very low | 219 Ų | 219 | 156.1 Ų | 156.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 58.8 | 136.4 | 70.6 | -65.6 | -177.9 | 179.7 | 95.5 | -4.7 | 112.5 | D126 | D126-R128 IonicContact OD1-NH1 3.2Š| |||
| 129 | S | 39.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 159 Ų | 159 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | cis | -168.1 | 174.5 | 11.7 | 36.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 130 | V | 43.8 | Very low | 41.4 | Very low | 144 Ų | 144 | 157 Ų | 157 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -36.8 | 151.9 | 177.1 | -71.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 131 | S | 41.1 | Very low | 42.4 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -134.4 | 141.3 | 150.6 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 132 | L | 45.6 | Very low | 43.2 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -121.7 | 167.9 | 175.1 | -144.2 | -170.6 | 0 | 0 | 0 | 107.1 | ||||
| 133 | L | 41.8 | Very low | 44.2 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 73 | 137.6 | -176.4 | -117.5 | 77.4 | 0 | 0 | 0 | 112.2 | ||||
| 134 | E | 39.7 | Very low | 45.1 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | cis | -133.1 | 155.9 | 7.4 | -67.4 | 170.2 | 102.7 | 0 | 0 | 108 | ||||
| 135 | Q | 39.2 | Very low | 45.7 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | -173.2 | 122.9 | 73.6 | -179.2 | 173.6 | -53.3 | 0 | 0 | 112.3 | |||||
| 136 | K | 45 | Very low | 45.4 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -51.5 | 125.9 | 170.4 | 161.2 | -164.8 | 167.4 | -174.4 | 0 | 114.5 | ||||
| 137 | R | 47.4 | Very low | 45.8 | Very low | 230 Ų | 230 | 146 Ų | 146 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | -176.3 | 130 | 128 | -96.7 | 157 | -139.8 | -135.8 | 7.6 | 113.3 | |||||
| 138 | K | 48.5 | Very low | 46.3 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -46.2 | 144.3 | -179.6 | -54 | 158.6 | 178.9 | -178.4 | 0 | 115.2 | ||||
| 139 | V | 38.7 | Very low | 46.6 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | 174.3 | 129 | 120.8 | 148.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 140 | V | 40.2 | Very low | 47.1 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 61.5 | 130.8 | 163.4 | 172.4 | 0 | 0 | 0 | 0 | 119.7 | S142 | V140-S142 PolarHBondContact O-N 2.87Š| ||
| 141 | S | 59 | Low | 47.1 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 102.2 | 173.7 | -46.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 142 | S | 51.7 | Low | 47.5 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -154.9 | 131.5 | 156.8 | 59.1 | 0 | 0 | 0 | 0 | 106.8 | V140 | V140-S142 PolarHBondContact O-N 2.87Š| ||
| 143 | S | 54.7 | Low | 47.9 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | cis | -156.3 | 177.7 | 40.7 | 44.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 144 | I | 57.3 | Low | 48.7 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 148.4 | -166.1 | -151.8 | 155.8 | 0 | 0 | 0 | 113.2 | V146 | I144-V146 HydrophobicContact CG2-CG2 3.65Å; I144-V146 PolarHBondContact O-N 2.98Å; I144-V146 VanDerWaalsContact O-N 3.13Å | ||
| 145 | D | 50 | Low | 49.6 | Very low | 150 Ų | 150 | 155.7 Ų | 155.7 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -68.4 | 107.5 | 165.2 | -177.3 | 21.3 | 0 | 0 | 0 | 108.5 | ||||
| 146 | V | 54.1 | Low | 50.9 | Low | 96 Ų | 96 | 152.3 Ų | 152.3 | 58% | 0.582 | 79% | 0.791 | S | S | * | * | trans | -92 | 114.4 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | I144 H148 | I144-V146 HydrophobicContact CG2-CG2 3.65Å; I144-V146 PolarHBondContact O-N 2.98Å; I144-V146 VanDerWaalsContact O-N 3.13Å; V146-H148 PolarHBondContact O-N 2.77Å | ||
| 147 | P | 46.6 | Very low | 52.4 | Low | 109 Ų | 109 | 146.5 Ų | 146.5 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -60.3 | 112.3 | 175 | 24.3 | -32.5 | 0 | 0 | 0 | 108.6 | A149 | P147-A149 PolarHBondContact O-N 3.05Š| ||
| 148 | H | 45.6 | Very low | 54.2 | Low | 173 Ų | 173 | 141.8 Ų | 141.8 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | -53.9 | 109 | 179.2 | -91.2 | -86.5 | 0 | 0 | 0 | 109.5 | V146 R150 | V146-H148 PolarHBondContact O-N 2.77Å; H148-R150 HydrophobicContact CB-CG 4.18Å; H148-R150 PolarHBondContact O-N 3.05Å | ||
| 149 | A | 49.4 | Very low | 55.9 | Low | 89 Ų | 89 | 137.9 Ų | 137.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -70.6 | 69.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P147 R151 | P147-A149 PolarHBondContact O-N 3.05Å; A149-R151 PolarHBondContact O-N 2.9Å | ||
| 150 | R | 49.4 | Very low | 58 | Low | 231 Ų | 231 | 137.9 Ų | 137.9 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 70.8 | 164.6 | -65.2 | -142.9 | -78.9 | -167.3 | -4.7 | 108.4 | H148 | H148-R150 HydrophobicContact CB-CG 4.18Å; H148-R150 PolarHBondContact O-N 3.05Å | ||
| 151 | R | 43.8 | Very low | 60.2 | Low | 229 Ų | 229 | 134.9 Ų | 134.9 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -74 | 122.2 | 162 | -73 | -167.9 | 163.9 | 145.3 | 1.4 | 106.7 | A149 | A149-R151 PolarHBondContact O-N 2.9Š|
| 152 | S | 50.7 | Low | 61.8 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 136.5 | 179.1 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 153 | E | 52.8 | Low | 63.7 | Low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -52.4 | 147.5 | 166 | 178.6 | 172.5 | -170.8 | 0 | 0 | 112.2 | ||
| 154 | E | 58.7 | Low | 65.3 | Low | 178 Ų | 178 | 126.3 Ų | 126.3 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | trans | 56.1 | 68.3 | 158.1 | -152.7 | 168.7 | 137.6 | 0 | 0 | 119.5 | ||||
| 155 | E | 59.2 | Low | 66.8 | Low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | -136.5 | 113.4 | 128 | -167.5 | 173 | -172.2 | 0 | 0 | 108.2 | D157 | E155-D157 PolarHBondContact O-N 2.81Š| |||
| 156 | V | 65.8 | Low | 68.8 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 70% | 0.697 | 64% | 0.639 | S | S | * | * | trans | -76.3 | 77.9 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | M158 V161 | V156-M158 PolarHBondContact O-N 2.93Å; V156-V161 HydrophobicContact CG1-CG2 3.51Å | ||
| 157 | D | 76.3 | Confident | 70.3 | Confident | 57 Ų | 57 | 122.9 Ų | 122.9 | 31% | 0.305 | 64% | 0.64 | S | S | . | * | trans | -51.6 | 110.9 | 169.8 | -179.6 | 3.7 | 0 | 0 | 0 | 109.2 | E155 D159 K160 V161 | E155-D157 PolarHBondContact O-N 2.81Å; D157-D159 PolarHBondContact O-N 3.25Å; D157-D159 VanDerWaalsContact O-N 3.11Å; D157-D159 WeakPolarHBondContact OD1-CB 3.34Å; D157-D159 PolarHBondContact OD1-N 2.86Å; D157-K160 HydrophobicContact CB-CB 4.29Å; D157-K160 HydrophobicContact CB-CD 3.96Å; D157-K160 HydrophobicContact CB-CG 3.89Å; D157-K160 WeakPolarHBondContact O-CB 3.3Å; D157-K160 PolarHBondContact O-N 3.16Å; D157-K160 WeakPolarHBondContact OD2-CG 3.07Å; D157-K160 IonicContact OD2-NZ 3.78Å; D157-K160 PolarHBondContact OD2-NZ 2.9Å; D157-V161 PolarHBondContact O-N 3.49Å | ||
| 158 | M | 86.3 | Confident | 71.9 | Confident | 131 Ų | 131 | 121.5 Ų | 121.5 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -56.6 | -30 | -176.4 | -170.1 | 61.6 | 62.6 | 0 | 0 | 111.1 | V156 V161 T162 | V156-M158 PolarHBondContact O-N 2.93Å; M158-V161 PolarHBondContact O-N 3.32Å; M158-T162 WeakPolarHBondContact O-CB 3.15Å; M158-T162 PolarHBondContact O-N 3.17Å; M158-T162 PolarHBondContact O-OG1 2.8Å |
| 159 | D | 83.6 | Confident | 73.6 | Confident | 119 Ų | 119 | 117.4 Ų | 117.4 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.9 | -30.7 | 178.1 | -63.9 | -16.1 | 0 | 0 | 0 | 111.5 | D157 A163 | D157-D159 PolarHBondContact O-N 3.25Å; D157-D159 VanDerWaalsContact O-N 3.11Å; D157-D159 WeakPolarHBondContact OD1-CB 3.34Å; D157-D159 PolarHBondContact OD1-N 2.86Å; D159-A163 WeakPolarHBondContact O-CB 3.26Å; D159-A163 PolarHBondContact O-N 2.8Å |
| 160 | K | 82.1 | Confident | 75 | Confident | 133 Ų | 133 | 119.4 Ų | 119.4 | 58% | 0.578 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.1 | -39.8 | 173.1 | -66.6 | -177.8 | -171.4 | 84.3 | 0 | 112.1 | D157 A164 | D157-K160 HydrophobicContact CB-CB 4.29Å; D157-K160 HydrophobicContact CB-CD 3.96Å; D157-K160 HydrophobicContact CB-CG 3.89Å; D157-K160 WeakPolarHBondContact O-CB 3.3Å; D157-K160 PolarHBondContact O-N 3.16Å; D157-K160 WeakPolarHBondContact OD2-CG 3.07Å; D157-K160 IonicContact OD2-NZ 3.78Å; D157-K160 PolarHBondContact OD2-NZ 2.9Å; K160-A164 VanDerWaalsContact O-CB 3.3Å; K160-A164 WeakPolarHBondContact O-CB 3.45Å; K160-A164 PolarHBondContact O-N 2.75Å |
| 161 | V | 87.8 | Confident | 76 | Confident | 62 Ų | 62 | 112.9 Ų | 112.9 | 38% | 0.376 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.6 | -44.1 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | V156 D157 M158 A164 M165 | V156-V161 HydrophobicContact CG1-CG2 3.51Å; D157-V161 PolarHBondContact O-N 3.49Å; M158-V161 PolarHBondContact O-N 3.32Å; V161-A164 PolarHBondContact O-N 2.76Å; V161-M165 HydrophobicContact CG1-SD 4.46Å; V161-M165 PolarHBondContact O-N 2.78Å |
| 162 | T | 92.3 | Very high | 76.5 | Confident | 71 Ų | 71 | 106.3 Ų | 106.3 | 44% | 0.436 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61 | -46.5 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | M158 A164 M165 V166 | M158-T162 WeakPolarHBondContact O-CB 3.15Å; M158-T162 PolarHBondContact O-N 3.17Å; M158-T162 PolarHBondContact O-OG1 2.8Å; T162-A164 PolarHBondContact O-N 3.36Å; T162-M165 PolarHBondContact O-N 2.68Å; T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 2.81Å |
| 163 | A | 91.6 | Very high | 76.5 | Confident | 48 Ų | 48 | 104.7 Ų | 104.7 | 40% | 0.397 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | D159 V166 L167 | D159-A163 WeakPolarHBondContact O-CB 3.26Å; D159-A163 PolarHBondContact O-N 2.8Å; A163-V166 PolarHBondContact O-N 3.2Å; A163-L167 WeakPolarHBondContact O-CB 3.35Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 2.73Å |
| 164 | A | 87.6 | Confident | 76.5 | Confident | 52 Ų | 52 | 102.4 Ų | 102.4 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.7 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K160 V161 T162 T168 | K160-A164 VanDerWaalsContact O-CB 3.3Å; K160-A164 WeakPolarHBondContact O-CB 3.45Å; K160-A164 PolarHBondContact O-N 2.75Å; V161-A164 PolarHBondContact O-N 2.76Å; T162-A164 PolarHBondContact O-N 3.36Å; A164-T168 WeakPolarHBondContact O-CB 3.39Å; A164-T168 PolarHBondContact O-N 3.37Å; A164-T168 PolarHBondContact O-OG1 2.77Å |
| 165 | M | 89.4 | Confident | 76.1 | Confident | 124 Ų | 124 | 101.1 Ų | 101.1 | 61% | 0.611 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.9 | -48.1 | 173 | -79.3 | 174 | 46.7 | 0 | 0 | 111.9 | V161 T162 L167 T168 S169 | V161-M165 HydrophobicContact CG1-SD 4.46Å; V161-M165 PolarHBondContact O-N 2.78Å; T162-M165 PolarHBondContact O-N 2.68Å; M165-L167 PolarHBondContact O-N 3.23Å; M165-T168 WeakPolarHBondContact O-CA 3.15Å; M165-T168 WeakPolarHBondContact O-CB 3.34Å; M165-T168 PolarHBondContact O-N 3.5Å; M165-T168 VanDerWaalsContact O-N 3.11Å; M165-S169 PolarHBondContact O-N 3.39Å; M165-S169 PolarHBondContact O-OG 2.95Å |
| 166 | V | 90.9 | Very high | 75.7 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 47% | 0.467 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.5 | -45.8 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | T162 A163 T168 S169 L170 | T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 2.81Å; A163-V166 PolarHBondContact O-N 3.2Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 PolarHBondContact O-N 3.05Å; V166-S169 PolarHBondContact O-N 3.17Å; V166-L170 HydrophobicContact CG1-CD1 3.89Å; V166-L170 HydrophobicContact CG1-CG 4.37Å; V166-L170 WeakPolarHBondContact O-CB 3.14Å; V166-L170 VanDerWaalsContact O-CG 3.28Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 3.21Å |
| 167 | L | 86.3 | Confident | 74.9 | Confident | 116 Ų | 116 | 104.8 Ų | 104.8 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.3 | -33.3 | 175.1 | -71.9 | 169.4 | 0 | 0 | 0 | 112.3 | A163 M165 S171 | A163-L167 WeakPolarHBondContact O-CB 3.35Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 2.73Å; M165-L167 PolarHBondContact O-N 3.23Å; L167-S171 WeakPolarHBondContact O-CB 3.32Å; L167-S171 PolarHBondContact O-N 3.22Å; L167-S171 PolarHBondContact O-OG 3.47Å |
| 168 | T | 81.4 | Confident | 73.5 | Confident | 80 Ų | 80 | 106.6 Ų | 106.6 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -45.1 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | A164 M165 V166 L170 S171 T172 | A164-T168 WeakPolarHBondContact O-CB 3.39Å; A164-T168 PolarHBondContact O-N 3.37Å; A164-T168 PolarHBondContact O-OG1 2.77Å; M165-T168 WeakPolarHBondContact O-CA 3.15Å; M165-T168 WeakPolarHBondContact O-CB 3.34Å; M165-T168 PolarHBondContact O-N 3.5Å; M165-T168 VanDerWaalsContact O-N 3.11Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 PolarHBondContact O-N 3.05Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 3.13Å; T168-S171 WeakPolarHBondContact CA-OG 3.44Å; T168-S171 PolarHBondContact O-N 3.42Å; T168-S171 PolarHBondContact O-OG 2.77Å; T168-S171 VanDerWaalsContact O-OG 3.14Å; T168-T172 WeakPolarHBondContact O-CB 3.44Å; T168-T172 PolarHBondContact O-N 2.88Å; T168-T172 PolarHBondContact O-OG1 2.92Å |
| 169 | S | 81.1 | Confident | 71.5 | Confident | 88 Ų | 88 | 106 Ų | 106 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.5 | -36.4 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | M165 V166 | M165-S169 PolarHBondContact O-N 3.39Å; M165-S169 PolarHBondContact O-OG 2.95Å; V166-S169 PolarHBondContact O-N 3.17Å |
| 170 | L | 78.4 | Confident | 69.6 | Low | 130 Ų | 130 | 105.1 Ų | 105.1 | 68% | 0.681 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.5 | -33.1 | 176.7 | -69.1 | 173 | 0 | 0 | 0 | 112.9 | V166 T168 | V166-L170 HydrophobicContact CG1-CD1 3.89Å; V166-L170 HydrophobicContact CG1-CG 4.37Å; V166-L170 WeakPolarHBondContact O-CB 3.14Å; V166-L170 VanDerWaalsContact O-CG 3.28Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 3.21Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 3.13Å |
| 171 | S | 70.7 | Confident | 67.8 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.5 | -20.2 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | L167 T168 | L167-S171 WeakPolarHBondContact O-CB 3.32Å; L167-S171 PolarHBondContact O-N 3.22Å; L167-S171 PolarHBondContact O-OG 3.47Å; T168-S171 WeakPolarHBondContact CA-OG 3.44Å; T168-S171 PolarHBondContact O-N 3.42Å; T168-S171 PolarHBondContact O-OG 2.77Å; T168-S171 VanDerWaalsContact O-OG 3.14Å |
| 172 | T | 53.8 | Low | 65.6 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | trans | -101.9 | 52.5 | 176.1 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | T168 P174 | T168-T172 WeakPolarHBondContact O-CB 3.44Å; T168-T172 PolarHBondContact O-N 2.88Å; T168-T172 PolarHBondContact O-OG1 2.92Å; T172-P174 WeakPolarHBondContact O-CD 3.35Å | ||
| 173 | S | 50.9 | Low | 62.9 | Low | 83 Ų | 83 | 113.1 Ų | 113.1 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | trans | -58.1 | 121 | 167.2 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | L175 | S173-L175 PolarHBondContact O-N 3.21Š| ||
| 174 | P | 52.6 | Low | 60.4 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | trans | -73.2 | 92 | -177.6 | 28.8 | -33.7 | 0 | 0 | 0 | 110.2 | T172 V176 | T172-P174 WeakPolarHBondContact O-CD 3.35Å; P174-V176 PolarHBondContact O-N 2.92Å | ||
| 175 | L | 50.2 | Low | 57.9 | Low | 152 Ų | 152 | 122.9 Ų | 122.9 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | trans | -63.5 | 109.3 | 168 | -103 | 69.4 | 0 | 0 | 0 | 109.7 | S173 | S173-L175 PolarHBondContact O-N 3.21Š| ||
| 176 | V | 51.6 | Low | 55.3 | Low | 125 Ų | 125 | 120.2 Ų | 120.2 | 76% | 0.758 | 70% | 0.703 | S | S | * | * | trans | 64.8 | 95.9 | 157.7 | -167.3 | 0 | 0 | 0 | 0 | 116.3 | P174 | P174-V176 PolarHBondContact O-N 2.92Š| ||
| 177 | R | 47.1 | Very low | 52.9 | Low | 244 Ų | 244 | 124.4 Ų | 124.4 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -144.1 | 97.8 | 135.5 | -139.8 | 165.7 | 179.5 | 86.7 | -3.8 | 110.9 | ||||
| 178 | S | 48.6 | Very low | 50.5 | Low | 95 Ų | 95 | 124.9 Ų | 124.9 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 139.6 | 174.2 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 179 | P | 43.6 | Very low | 48.1 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.8 | 165.1 | -18.2 | 31.5 | 0 | 0 | 0 | 110.6 | ||
| 180 | P | 43.5 | Very low | 46 | Very low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 139.6 | 178.7 | 29.4 | -34.2 | 0 | 0 | 0 | 111.5 | K182 | P180-K182 PolarHBondContact O-N 2.98Š|
| 181 | V | 45.3 | Very low | 44 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.2 | 166.2 | 166.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 182 | K | 41.4 | Very low | 42.5 | Very low | 169 Ų | 169 | 133 Ų | 133 | 74% | 0.735 | 76% | 0.762 | S | S | * | * | trans | -143 | 108.2 | 168.5 | -68.3 | -164.9 | 179.2 | -174.1 | 0 | 111.3 | P180 | P180-K182 PolarHBondContact O-N 2.98Š| ||
| 183 | V | 35.8 | Very low | 41.8 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | 38.7 | 120 | 146.1 | 46.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 184 | S | 38.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -79.9 | 121.5 | 160.2 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 185 | E | 35.1 | Very low | 40.4 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -159.4 | 125.8 | 159.5 | -161.1 | 172.5 | 156 | 0 | 0 | 112 | ||||
| 186 | G | 34.5 | Very low | 39.8 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 68.9 | 154.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 187 | L | 39.3 | Very low | 39 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | cis | -152.4 | 149 | 1.7 | -53.2 | 163.7 | 0 | 0 | 0 | 107.8 | ||||
| 188 | S | 36.1 | Very low | 38.4 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | 43.4 | 127.9 | 157.1 | 61 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 189 | G | 30.8 | Very low | 38.4 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | 163.1 | -175 | 3.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 190 | S | 38.3 | Very low | 37.9 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 70.3 | 128.8 | 179.3 | -113.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 191 | W | 36.4 | Very low | 37.7 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -165.8 | 130.3 | -10 | 38.3 | 19.8 | 0 | 0 | 0 | 111.1 | ||||
| 192 | K | 38.9 | Very low | 38.2 | Very low | 186 Ų | 186 | 131 Ų | 131 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | 44.4 | 94.8 | 157 | 22.2 | 176.9 | 165.7 | -75.5 | 0 | 118.2 | ||||
| 193 | D | 39.8 | Very low | 37.7 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -68 | 142.9 | 138.8 | -163.2 | -63.7 | 0 | 0 | 0 | 109 | G195 | D193-G195 PolarHBondContact OD1-N 3.04Š| ||
| 194 | N | 38.1 | Very low | 37.6 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -151.1 | 87 | 165.9 | -167.1 | 104.1 | 0 | 0 | 0 | 112 | ||||
| 195 | G | 34.6 | Very low | 37.4 | Very low | 48 Ų | 48 | 129.2 Ų | 129.2 | 50% | 0.495 | 79% | 0.786 | S | S | . | * | 90.6 | 93.2 | 121.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | D193 | D193-G195 PolarHBondContact OD1-N 3.04Š| |||
| 196 | S | 37.8 | Very low | 37.2 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | 46.4 | 115.8 | 123.6 | -55.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 197 | A | 34.8 | Very low | 37.1 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | 178.3 | 149 | 104 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 198 | G | 34.2 | Very low | 36.8 | Very low | 60 Ų | 60 | 124.9 Ų | 124.9 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | trans | 107.1 | 108.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 199 | P | 48.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -97.1 | 122.8 | 174.7 | 34.6 | -28.3 | 0 | 0 | 0 | 112.1 | ||||
| 200 | F | 33.3 | Very low | 36.9 | Very low | 201 Ų | 201 | 122.8 Ų | 122.8 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -142.1 | 124.2 | 169.3 | -67.7 | -73.8 | 0 | 0 | 0 | 112.7 | ||||
| 201 | T | 39.2 | Very low | 37.2 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -112.6 | 168.8 | 167.3 | 57.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 202 | P | 56.2 | Low | 37.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -109.5 | 161 | -131 | 40.1 | -37.6 | 0 | 0 | 0 | 116.5 | ||||
| 203 | S | 30.9 | Very low | 37.4 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 178.1 | 160.7 | 159.7 | -87.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 204 | S | 33.3 | Very low | 37 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -174.6 | 168 | -21.7 | -88.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 205 | N | 34.5 | Very low | 36.9 | Very low | 158 Ų | 158 | 124.8 Ų | 124.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 68.4 | 150.4 | 172.9 | -78.6 | 15.9 | 0 | 0 | 0 | 117 | ||||
| 206 | S | 31.5 | Very low | 37.3 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -165.6 | 172.9 | 4.1 | -112.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 207 | S | 33.2 | Very low | 37.2 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -168 | 175.6 | -7.6 | -108.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 208 | S | 33 | Very low | 37.4 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | trans | 78.1 | 136.6 | 168.7 | -157.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 209 | G | 37.3 | Very low | 38 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | 148.9 | 106.6 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 210 | G | 32.3 | Very low | 37.4 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -158.7 | 98.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 211 | Y | 43.4 | Very low | 37.4 | Very low | 206 Ų | 206 | 129 Ų | 129 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -88.2 | 132 | -177.3 | 175.5 | -92 | 0 | 0 | 0 | 111.3 | S213 | Y211-S213 VanDerWaalsContact CZ-CB 3.43Å; Y211-S213 VanDerWaalsContact OH-CB 3.3Å; Y211-S213 WeakPolarHBondContact OH-CB 3.33Å | ||
| 212 | W | 45.4 | Very low | 37.6 | Very low | 246 Ų | 246 | 129.5 Ų | 129.5 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -139.2 | 90.9 | 163.6 | 58.6 | -41.3 | 0 | 0 | 0 | 109.9 | ||||
| 213 | S | 33.5 | Very low | 36.9 | Very low | 62 Ų | 62 | 129 Ų | 129 | 43% | 0.434 | 77% | 0.765 | S | S | . | * | trans | -75.1 | 138.8 | 168.6 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | Y211 S215 | Y211-S213 VanDerWaalsContact CZ-CB 3.43Å; Y211-S213 VanDerWaalsContact OH-CB 3.3Å; Y211-S213 WeakPolarHBondContact OH-CB 3.33Å; S213-S215 PolarHBondContact OG-N 3.1Å; S213-S215 PolarHBondContact OG-OG 3.15Å | ||
| 214 | W | 33.2 | Very low | 37 | Very low | 233 Ų | 233 | 128 Ų | 128 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -108.7 | 105.4 | 147.8 | 80.9 | -57.3 | 0 | 0 | 0 | 107.1 | ||||
| 215 | S | 35.2 | Very low | 37.2 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -83.6 | 120.7 | 167.4 | -65.1 | 0 | 0 | 0 | 0 | 108 | S213 | S213-S215 PolarHBondContact OG-N 3.1Å; S213-S215 PolarHBondContact OG-OG 3.15Å | ||
| 216 | A | 42 | Very low | 37.5 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 58% | 0.579 | 76% | 0.762 | S | S | * | * | trans | -71.3 | 159.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 217 | P | 37.3 | Very low | 37.8 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -86.7 | 102.2 | 152.4 | 11.5 | 7.3 | 0 | 0 | 0 | 109.6 | ||||
| 218 | S | 37.4 | Very low | 38.4 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -73.5 | 152 | 141.3 | -113.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 219 | D | 46.7 | Very low | 39.4 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | cis | -142.4 | 165.6 | 7.1 | -76 | -55.8 | 0 | 0 | 0 | 109 | ||||
| 220 | Q | 37.3 | Very low | 39.3 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | 179.6 | 134.2 | 108.1 | -158.7 | 157.1 | 37.8 | 0 | 0 | 112.5 | |||||
| 221 | S | 33.1 | Very low | 39.6 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 70.1 | 120.5 | 168.9 | 72.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 222 | N | 42.5 | Very low | 39.3 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -103.9 | 141.3 | 149.9 | -164.7 | 4.6 | 0 | 0 | 0 | 105 | S224 | N222-S224 PolarHBondContact OD1-N 3.07Š| ||
| 223 | P | 42.6 | Very low | 38.8 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | -148.6 | 157.4 | 93 | 39.4 | -22.9 | 0 | 0 | 0 | 116.2 | |||||
| 224 | S | 32.9 | Very low | 38.9 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 78.6 | 119.6 | 145.7 | -61.7 | 0 | 0 | 0 | 0 | 121.5 | N222 | N222-S224 PolarHBondContact OD1-N 3.07Š| ||
| 225 | T | 37.2 | Very low | 39.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 49.1 | 109.8 | 134.4 | 62 | 0 | 0 | 0 | 0 | 120.3 | S227 | T225-S227 PolarHBondContact O-N 3.34Š| ||
| 226 | P | 40.7 | Very low | 39.5 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 108.1 | 158.9 | 31.4 | -30.5 | 0 | 0 | 0 | 110.8 | ||||
| 227 | S | 38.1 | Very low | 39.6 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 150 | 161.9 | -70 | 0 | 0 | 0 | 0 | 110.2 | T225 | T225-S227 PolarHBondContact O-N 3.34Š|
| 228 | P | 46 | Very low | 39.5 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 146 | -171.8 | 32.4 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 229 | P | 53.3 | Low | 39.6 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 148.1 | 167.3 | 30.9 | -33.3 | 0 | 0 | 0 | 111 | ||
| 230 | L | 35.3 | Very low | 39.1 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 159.7 | -170.7 | -50 | 180 | 0 | 0 | 0 | 112 | ||
| 231 | S | 37.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 158.9 | 172.9 | -57 | 0 | 0 | 0 | 0 | 113 | ||
| 232 | A | 38.2 | Very low | 39.6 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 71.3 | 102.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 233 | D | 35.7 | Very low | 39.3 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | -160.7 | 141.7 | 87.7 | -169.5 | -108.2 | 0 | 0 | 0 | 109.5 | |||||
| 234 | S | 34.9 | Very low | 38.7 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -135.2 | 90.6 | -167.2 | -162.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 235 | F | 36 | Very low | 38.7 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 61.4 | 113.3 | 165.4 | -41.4 | -72.1 | 0 | 0 | 0 | 117.7 | ||||
| 236 | K | 44.6 | Very low | 38.5 | Very low | 204 Ų | 204 | 132.5 Ų | 132.5 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | -154.2 | 125.8 | 115 | -62.2 | -162.4 | -177.3 | 172.2 | 0 | 111.5 | |||||
| 237 | P | 44.3 | Very low | 38.3 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -93.4 | 131 | 163.6 | 34.5 | -28.7 | 0 | 0 | 0 | 110.8 | ||||
| 238 | F | 34.2 | Very low | 38 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | 165.1 | 124.9 | 128.5 | -107.8 | -112.5 | 0 | 0 | 0 | 113.6 | |||||
| 239 | R | 39.4 | Very low | 37.4 | Very low | 214 Ų | 214 | 132.6 Ų | 132.6 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 39.7 | 121.3 | 136.2 | -150.3 | -171.5 | -59.1 | -135.2 | 4.9 | 121.2 | ||||
| 240 | V | 36.8 | Very low | 37.9 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -112.3 | 157.8 | 158.6 | 141.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 241 | P | 45.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -138.5 | 173.8 | 27.9 | 32.6 | -9.6 | 0 | 0 | 0 | 119.4 | ||||
| 242 | S | 35.6 | Very low | 37.4 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 60.1 | 117.8 | 149 | -67.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 243 | V | 35.4 | Very low | 37.5 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | 159.2 | 138.1 | 104.5 | 73.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 244 | G | 30.6 | Very low | 37.6 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 151.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 245 | G | 32.3 | Very low | 37.8 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | 140 | 125.1 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 246 | V | 33.8 | Very low | 38.5 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 92% | 0.915 | 78% | 0.78 | S | S | * | * | trans | 68.3 | 137.4 | -171.7 | 119.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 247 | G | 35.6 | Very low | 38 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 113.5 | 84.6 | 1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 248 | S | 33.2 | Very low | 38.1 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -167.9 | 134.8 | 160.7 | -80.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 249 | N | 33.8 | Very low | 38.6 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -153.2 | 178.8 | 176.3 | -153.7 | 22.7 | 0 | 0 | 0 | 105.5 | ||||
| 250 | P | 62.3 | Low | 39.1 | Very low | 108 Ų | 108 | 120 Ų | 120 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | -111.1 | -170.6 | -66.9 | 32.4 | -15.3 | 0 | 0 | 0 | 111.7 | |||||
| 251 | A | 33.1 | Very low | 39.4 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 160.9 | 148.4 | 130.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 252 | G | 30.9 | Very low | 39.1 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 93.8 | 96.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 253 | A | 39.5 | Very low | 39.3 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 72.3 | 145.8 | 64.6 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 254 | E | 38.3 | Very low | 39.4 | Very low | 171 Ų | 171 | 119.4 Ų | 119.4 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | cis | -155.4 | 126.9 | 1.1 | 34.4 | -96.2 | 104.6 | 0 | 0 | 113.4 | ||||
| 255 | D | 39.5 | Very low | 40.1 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 47 | -170.2 | 143.2 | -142.4 | 32.6 | 0 | 0 | 0 | 121.8 | ||||
| 256 | P | 49.5 | Very low | 40.4 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | -112.2 | 156.4 | -102.4 | 36.8 | -24.1 | 0 | 0 | 0 | 116.2 | |||||
| 257 | S | 35.2 | Very low | 41.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -131.3 | 92.2 | 154 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 258 | L | 45.4 | Very low | 41.2 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -79 | 118.7 | 161.8 | -79.9 | 163.3 | 0 | 0 | 0 | 107.9 | ||||
| 259 | D | 46 | Very low | 41.7 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -126.7 | 113 | 151.5 | -166.6 | -122.9 | 0 | 0 | 0 | 107.5 | ||||
| 260 | E | 48.1 | Very low | 42.3 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -90.9 | 101.8 | -176.7 | -70.1 | 175.8 | 71.1 | 0 | 0 | 110.4 | ||||
| 261 | Q | 45 | Very low | 41.6 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -138.2 | 106.6 | 145.7 | -75.1 | -153.5 | -106.2 | 0 | 0 | 108.3 | ||||
| 262 | D | 38.6 | Very low | 42.3 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | 56.3 | 92.9 | 89.7 | -168.8 | 47.8 | 0 | 0 | 0 | 111.6 | |||||
| 263 | G | 40.3 | Very low | 43.4 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | trans | -173.7 | 53.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 264 | S | 35.7 | Very low | 44.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | -14.6 | 128 | 169.5 | -175.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 265 | S | 47.2 | Very low | 45.1 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | 8 | 146.5 | 118.5 | -57.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 266 | L | 38.4 | Very low | 46.1 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 89.2 | 82.7 | -169.9 | -49.4 | -176 | 0 | 0 | 0 | 110.9 | ||||
| 267 | L | 48.4 | Very low | 46.3 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | S | Bend | 29.5 | 99.9 | 77.3 | -71.9 | 172.8 | 0 | 0 | 0 | 111 | |||
| 268 | F | 36.6 | Very low | 47.1 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 34.9 | 106.2 | 162 | -61.1 | -94 | 0 | 0 | 0 | 115.5 | E270 | F268-E270 HydrophobicContact CB-CB 3.97Å; F268-E270 PolarHBondContact O-N 3.17Å | ||
| 269 | D | 44.7 | Very low | 47.9 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | -70.5 | 48.3 | 150.5 | -162.9 | -122.3 | 0 | 0 | 0 | 110.5 | P271 | D269-P271 WeakPolarHBondContact O-CD 3.17Š| ||
| 270 | E | 44.9 | Very low | 49.5 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | trans | -57.2 | 116.1 | 144.6 | 176.7 | 86.5 | 113.2 | 0 | 0 | 104.8 | F268 I272 | F268-E270 HydrophobicContact CB-CB 3.97Å; F268-E270 PolarHBondContact O-N 3.17Å; E270-I272 VanDerWaalsContact C-N 3.27Å; E270-I272 PolarHBondContact O-N 3.24Å | ||
| 271 | P | 48.5 | Very low | 51.4 | Low | 84 Ų | 84 | 134.4 Ų | 134.4 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | trans | -70.2 | 86 | -169.1 | 25.8 | -34.3 | 0 | 0 | 0 | 111.1 | D269 P273 K277 | D269-P271 WeakPolarHBondContact O-CD 3.17Å; P271-P273 WeakPolarHBondContact O-CD 3.12Å; P271-K277 PolarHBondContact O-NZ 2.79Å | ||
| 272 | I | 47.1 | Very low | 53.7 | Low | 114 Ų | 114 | 129 Ų | 129 | 59% | 0.585 | 66% | 0.664 | S | S | * | * | trans | -43.6 | 121.1 | -175.1 | -67.1 | 176.7 | 0 | 0 | 0 | 108.2 | E270 R274 | E270-I272 VanDerWaalsContact C-N 3.27Å; E270-I272 PolarHBondContact O-N 3.24Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 2.85Å | ||
| 273 | P | 55 | Low | 56.3 | Low | 80 Ų | 80 | 123.9 Ų | 123.9 | 52% | 0.519 | 64% | 0.636 | S | S | . | * | trans | -60 | 87.8 | 176.4 | -26.6 | 36.1 | 0 | 0 | 0 | 112.5 | P271 K275 K277 | P271-P273 WeakPolarHBondContact O-CD 3.12Å; P273-K275 PolarHBondContact O-N 2.87Å; P273-K277 HydrophobicContact CB-CB 3.88Å; P273-K277 HydrophobicContact CB-CD 3.68Å; P273-K277 HydrophobicContact CB-CG 3.9Å; P273-K277 HydrophobicContact CG-CD 4.3Å | ||
| 274 | R | 58.6 | Low | 59 | Low | 215 Ų | 215 | 121.2 Ų | 121.2 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | trans | -66.9 | 84 | 172 | -57.8 | -171.1 | -158.5 | 112.7 | 5.8 | 109.7 | I272 R276 | I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 2.85Å; R274-R276 PolarHBondContact O-N 2.77Å | ||
| 275 | K | 53.7 | Low | 61.9 | Low | 206 Ų | 206 | 119.3 Ų | 119.3 | 90% | 0.896 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -2.2 | 108 | 151 | -163.7 | 173.3 | -175.2 | 177.3 | 0 | 112.9 | P273 | P273-K275 PolarHBondContact O-N 2.87Š|
| 276 | R | 60.6 | Low | 64.2 | Low | 246 Ų | 246 | 114.4 Ų | 114.4 | 93% | 0.928 | 55% | 0.55 | S | S | * | . | S | Bend | cis | -85.5 | 124.3 | 5 | 72.8 | -171.5 | -168.8 | 160.6 | 4.3 | 112.7 | R274 | R274-R276 PolarHBondContact O-N 2.77Š|
| 277 | K | 53.3 | Low | 67 | Low | 121 Ų | 121 | 112.3 Ų | 112.3 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | trans | -103.4 | 98.2 | 170 | -170.3 | 103.8 | 141.8 | -163.5 | 0 | 107.7 | P271 P273 S279 | P271-K277 PolarHBondContact O-NZ 2.79Å; P273-K277 HydrophobicContact CB-CB 3.88Å; P273-K277 HydrophobicContact CB-CD 3.68Å; P273-K277 HydrophobicContact CB-CG 3.9Å; P273-K277 HydrophobicContact CG-CD 4.3Å; K277-S279 VanDerWaalsContact C-N 3.29Å; K277-S279 PolarHBondContact O-N 2.79Å | ||
| 278 | N | 52.1 | Low | 69.2 | Low | 88 Ų | 88 | 109 Ų | 109 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | trans | -60.4 | 100.4 | 161 | 175.5 | -37.1 | 0 | 0 | 0 | 106.2 | M280 N333 | N278-M280 PolarHBondContact O-N 3.26Å; N278-N333 WeakPolarHBondContact ND2-CB 3.45Å; N278-N333 WeakPolarHBondContact OD1-CB 3.4Å | ||
| 279 | S | 63.7 | Low | 72 | Confident | 66 Ų | 66 | 109.4 Ų | 109.4 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | trans | -75 | 94.4 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 107.2 | K277 T334 | K277-S279 VanDerWaalsContact C-N 3.29Å; K277-S279 PolarHBondContact O-N 2.79Å; S279-T334 VanDerWaalsContact CB-OG1 3.31Å; S279-T334 WeakPolarHBondContact CB-OG1 3.45Å; S279-T334 PolarHBondContact O-N 3.08Å; S279-T334 PolarHBondContact O-OG1 3.23Å; S279-T334 PolarHBondContact OG-OG1 2.82Å | ||
| 280 | M | 78.8 | Confident | 74.2 | Confident | 134 Ų | 134 | 109.9 Ų | 109.9 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.4 | 171.6 | 63.3 | 178.4 | 72.2 | 0 | 0 | 109.5 | N278 L332 | N278-M280 PolarHBondContact O-N 3.26Å; M280-L332 CarbonylContact C-O 3.59Å; M280-L332 WeakPolarHBondContact CA-O 3.2Å |
| 281 | K | 88.2 | Confident | 76.6 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.6 | 172.2 | -169.9 | -177 | -177.2 | 72.1 | 0 | 108.1 | L332 | K281-L332 PolarHBondContact N-O 3.43Å; K281-L332 PolarHBondContact O-N 2.86Å |
| 282 | V | 92.2 | Very high | 78.7 | Confident | 52 Ų | 52 | 102.2 Ų | 102.2 | 32% | 0.315 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.1 | 170.5 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | F284 E329 K331 | V282-F284 HydrophobicContact CG1-CE1 4.31Å; V282-F284 HydrophobicContact CG1-CE2 4.01Å; V282-F284 HydrophobicContact CG1-CZ 3.82Å; V282-E329 HydrophobicContact CG1-CB 4.27Å; V282-K331 HydrophobicContact CG2-CG 4.37Å |
| 283 | M | 94.6 | Very high | 81 | Confident | 51 Ų | 51 | 101.6 Ų | 101.6 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 159.4 | 166.8 | -57.2 | -141 | -66.2 | 0 | 0 | 109 | V294 L295 I330 L332 | M283-V294 HydrophobicContact CB-CG1 3.68Å; M283-V294 HydrophobicContact CE-CG1 3.6Å; M283-V294 HydrophobicContact SD-CG1 4.13Å; M283-L295 CarbonylContact C-O 3.56Å; M283-L295 WeakPolarHBondContact CA-O 3.45Å; M283-I330 PolarHBondContact N-O 3.33Å; M283-I330 PolarHBondContact O-N 3.32Å; M283-L332 HydrophobicContact CE-CD1 3.36Å; M283-L332 HydrophobicContact CG-CD1 4.1Å; M283-L332 HydrophobicContact SD-CD1 4.31Å |
| 284 | F | 96.3 | Very high | 83 | Confident | 14 Ų | 14 | 100.6 Ų | 100.6 | 6% | 0.061 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.9 | -174.6 | -57 | -96.3 | 0 | 0 | 0 | 108.6 | V282 V294 L295 T298 I301 Y327 T328 E329 | V282-F284 HydrophobicContact CG1-CE1 4.31Å; V282-F284 HydrophobicContact CG1-CE2 4.01Å; V282-F284 HydrophobicContact CG1-CZ 3.82Å; F284-V294 CarbonylContact O-C 3.58Å; F284-V294 VanDerWaalsContact O-CA 3.29Å; F284-V294 WeakPolarHBondContact O-CA 3.46Å; F284-L295 PolarHBondContact N-O 3.24Å; F284-L295 PolarHBondContact O-N 3.06Å; F284-T298 HydrophobicContact CE1-CG2 4.22Å; F284-T298 WeakPolarHBondContact CE1-OG1 3.42Å; F284-T298 WeakPolarHBondContact CZ-OG1 3.26Å; F284-I301 HydrophobicContact CB-CB 3.92Å; F284-I301 HydrophobicContact CB-CG1 4.23Å; F284-I301 HydrophobicContact CB-CG2 3.71Å; F284-I301 HydrophobicContact CG-CG2 4.28Å; F284-I301 WeakPolarHBondContact O-CD1 3.36Å; F284-Y327 HydrophobicContact CB-CD2 4.4Å; F284-Y327 AromaticContact CD1-CD2 3.92Å; F284-Y327 HydrophobicContact CD1-CD2 3.92Å; F284-Y327 AromaticContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CE1-CE2 4.33Å; F284-T328 WeakPolarHBondContact CA-O 3.08Å; F284-E329 HydrophobicContact CD1-CG 3.89Å; F284-E329 HydrophobicContact CE1-CG 3.71Å; F284-E329 WeakPolarHBondContact CE1-OE1 3.49Å |
| 285 | K | 96.5 | Very high | 84.7 | Confident | 57 Ų | 57 | 93.4 Ų | 93.4 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.5 | -177.5 | 175.5 | 178.1 | 176.7 | -176.9 | 0 | 110.7 | L287 K293 V294 Y327 T328 I330 | K285-L287 PolarHBondContact O-N 3.1Å; K285-K293 CarbonylContact C-O 3.57Å; K285-K293 WeakPolarHBondContact CA-O 3.39Å; K285-V294 HydrophobicContact CB-CG2 4.04Å; K285-V294 HydrophobicContact CG-CG2 4.08Å; K285-Y327 CarbonylContact O-C 3.6Å; K285-Y327 WeakPolarHBondContact O-CA 3.28Å; K285-Y327 WeakPolarHBondContact O-CB 3.15Å; K285-T328 HydrophobicContact CB-CG2 4.25Å; K285-T328 PolarHBondContact N-O 3.32Å; K285-T328 PolarHBondContact O-N 3.01Å; K285-I330 HydrophobicContact CB-CD1 3.59Å; K285-I330 HydrophobicContact CB-CG1 4.23Å; K285-I330 HydrophobicContact CD-CD1 3.89Å; K285-I330 HydrophobicContact CG-CD1 4.35Å |
| 286 | C | 96.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 87 Ų | 87 | 1% | 0.007 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 129.6 | 171 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | W288 K293 I301 Y326 | C286-W288 VanDerWaalsContact SG-CB 3.55Å; C286-W288 PolarHBondContact SG-N 3.03Å; C286-K293 PolarHBondContact N-O 2.8Å; C286-I301 HydrophobicContact CB-CD1 4.01Å; C286-I301 HydrophobicContact CB-CG1 4.42Å; C286-Y326 WeakPolarHBondContact CA-O 3.36Å |
| 287 | L | 96.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | trans | -93.7 | -1.2 | 178.9 | -60.7 | 179.1 | 0 | 0 | 0 | 112.9 | K285 K289 Y326 T328 | K285-L287 PolarHBondContact O-N 3.1Å; L287-K289 PolarHBondContact O-N 2.99Å; L287-Y326 PolarHBondContact N-O 3.41Å; L287-T328 HydrophobicContact CD2-CG2 3.91Å | ||
| 288 | W | 95.4 | Very high | 90.2 | Very high | 79 Ų | 79 | 75.4 Ų | 75.4 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -58.9 | 136.3 | 177.8 | -153.9 | -85.7 | 0 | 0 | 0 | 110.8 | C286 N290 C291 H309 L310 Y326 | C286-W288 VanDerWaalsContact SG-CB 3.55Å; C286-W288 PolarHBondContact SG-N 3.03Å; W288-N290 PolarHBondContact O-N 2.84Å; W288-C291 HydrophobicContact CB-CB 3.91Å; W288-C291 WeakPolarHBondContact O-CB 3.46Å; W288-C291 PolarHBondContact O-N 3.33Å; W288-H309 AromaticContact CD1-CE1 3.59Å; W288-H309 AromaticContact CD1-CG 3.79Å; W288-H309 AromaticContact CD1-ND1 3.36Å; W288-H309 HydrophobicContact CD2-CB 3.47Å; W288-H309 VanDerWaalsContact CD2-CB 3.47Å; W288-H309 AromaticContact CD2-CD2 3.93Å; W288-H309 AromaticContact CD2-CG 3.46Å; W288-H309 VanDerWaalsContact CD2-CG 3.46Å; W288-H309 AromaticContact CD2-ND1 3.85Å; W288-H309 AromaticContact CE2-CG 3.77Å; W288-H309 AromaticContact CE2-ND1 3.86Å; W288-H309 HydrophobicContact CE3-CB 3.56Å; W288-H309 AromaticContact CE3-CG 3.91Å; W288-H309 HydrophobicContact CG-CB 4.08Å; W288-H309 AromaticContact CG-CD2 3.66Å; W288-H309 AromaticContact CG-CE1 3.72Å; W288-H309 AromaticContact CG-CG 3.49Å; W288-H309 VanDerWaalsContact CG-CG 3.49Å; W288-H309 AromaticContact CG-ND1 3.54Å; W288-H309 AromaticContact CG-NE2 3.83Å; W288-H309 HydrophobicContact CH2-CB 3.82Å; W288-H309 HydrophobicContact CZ2-CB 3.74Å; W288-H309 HydrophobicContact CZ3-CB 3.73Å; W288-H309 AromaticContact NE1-CG 3.93Å; W288-H309 AromaticContact NE1-ND1 3.55Å; W288-L310 HydrophobicContact CH2-CD1 3.79Å; W288-L310 HydrophobicContact CZ3-CD1 3.53Å; W288-Y326 AromaticContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD2 4.47Å; W288-Y326 AromaticContact CE3-CE1 3.98Å; W288-Y326 HydrophobicContact CE3-CE1 3.98Å; W288-Y326 AromaticContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CH2-CE1 4.48Å; W288-Y326 AromaticContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD2 4.06Å; W288-Y326 AromaticContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE2 4.05Å; W288-Y326 AromaticContact CZ3-CG 3.87Å; W288-Y326 HydrophobicContact CZ3-CG 3.87Å; W288-Y326 AromaticContact CZ3-CZ 3.84Å |
| 289 | K | 93.9 | Very high | 92.2 | Very high | 182 Ų | 182 | 73.8 Ų | 73.8 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 128.1 | -179.6 | -177.6 | 167.9 | 64 | -179 | 0 | 109.5 | L287 C291 | L287-K289 PolarHBondContact O-N 2.99Å; K289-C291 VanDerWaalsContact C-N 3.25Å; K289-C291 PolarHBondContact O-N 2.82Å |
| 290 | N | 91.5 | Very high | 93.7 | Very high | 162 Ų | 162 | 71 Ų | 71 | 87% | 0.866 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 1.3 | -175.9 | 82.6 | 24.9 | 0 | 0 | 0 | 118.5 | W288 | W288-N290 PolarHBondContact O-N 2.84Š|
| 291 | C | 95.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -60.9 | -178.3 | -176 | 0 | 0 | 0 | 0 | 113.9 | W288 K289 K293 H304 H309 | W288-C291 HydrophobicContact CB-CB 3.91Å; W288-C291 WeakPolarHBondContact O-CB 3.46Å; W288-C291 PolarHBondContact O-N 3.33Å; K289-C291 VanDerWaalsContact C-N 3.25Å; K289-C291 PolarHBondContact O-N 2.82Å; C291-K293 PolarHBondContact O-N 3.27Å; C291-H304 PolarHBondContact SG-CE1 3.45Å; C291-H304 PolarHBondContact SG-NE2 2.87Å; C291-H309 VanDerWaalsContact CB-NE2 3.31Å; C291-H309 WeakPolarHBondContact CB-NE2 3.47Å; C291-H309 PolarHBondContact SG-NE2 2.85Å |
| 292 | G | 92.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 60.7 Ų | 60.7 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | trans | 61 | 3.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | V294 | G292-V294 PolarHBondContact O-N 2.89Š| ||
| 293 | K | 95.5 | Very high | 94.8 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | trans | -56.9 | 137.2 | -176.6 | -71.7 | -172.9 | -156.9 | 177.1 | 0 | 111.6 | K285 C286 C291 I301 | K285-K293 CarbonylContact C-O 3.57Å; K285-K293 WeakPolarHBondContact CA-O 3.39Å; C286-K293 PolarHBondContact N-O 2.8Å; C291-K293 PolarHBondContact O-N 3.27Å; K293-I301 WeakPolarHBondContact O-CD1 3.12Å | ||
| 294 | V | 96.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.6 | 177.8 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | M283 F284 K285 G292 | M283-V294 HydrophobicContact CB-CG1 3.68Å; M283-V294 HydrophobicContact CE-CG1 3.6Å; M283-V294 HydrophobicContact SD-CG1 4.13Å; F284-V294 CarbonylContact O-C 3.58Å; F284-V294 VanDerWaalsContact O-CA 3.29Å; F284-V294 WeakPolarHBondContact O-CA 3.46Å; K285-V294 HydrophobicContact CB-CG2 4.04Å; K285-V294 HydrophobicContact CG-CG2 4.08Å; G292-V294 PolarHBondContact O-N 2.89Å |
| 295 | L | 95.5 | Very high | 94.7 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 34% | 0.335 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.8 | 178.6 | -67.2 | 176 | 0 | 0 | 0 | 110.8 | M283 F284 G300 I301 H304 | M283-L295 CarbonylContact C-O 3.56Å; M283-L295 WeakPolarHBondContact CA-O 3.45Å; F284-L295 PolarHBondContact N-O 3.24Å; F284-L295 PolarHBondContact O-N 3.06Å; L295-G300 WeakPolarHBondContact CD1-O 3.41Å; L295-I301 HydrophobicContact CB-CD1 4.19Å; L295-I301 HydrophobicContact CD1-CD1 4.06Å; L295-I301 HydrophobicContact CG-CD1 4.13Å; L295-H304 HydrophobicContact CD1-CB 4.16Å |
| 296 | S | 94.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -85.8 | -3.9 | -177.1 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 297 | T | 94.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 67 Ų | 67 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -139.6 | 142 | -174.2 | 55.9 | 0 | 0 | 0 | 0 | 112 | G300 I301 | T297-G300 WeakPolarHBondContact O-CA 3.47Å; T297-G300 PolarHBondContact O-N 3.37Å; T297-G300 VanDerWaalsContact O-N 3.1Å; T297-G300 PolarHBondContact OG1-N 2.95Å; T297-I301 PolarHBondContact O-N 2.86Å; T297-I301 VanDerWaalsContact O-N 3.1Å |
| 298 | T | 95 | Very high | 94.1 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.6 | -52.3 | 176.1 | -35.6 | 0 | 0 | 0 | 0 | 111.4 | F284 G300 I301 Q302 Y327 | F284-T298 HydrophobicContact CE1-CG2 4.22Å; F284-T298 WeakPolarHBondContact CE1-OG1 3.42Å; F284-T298 WeakPolarHBondContact CZ-OG1 3.26Å; T298-G300 PolarHBondContact O-N 2.78Å; T298-G300 VanDerWaalsContact O-N 3.11Å; T298-I301 VanDerWaalsContact O-CG2 3.3Å; T298-I301 WeakPolarHBondContact O-CG2 3.44Å; T298-I301 PolarHBondContact O-N 2.6Å; T298-I301 VanDerWaalsContact O-N 3.07Å; T298-Q302 HydrophobicContact CG2-CG 4.44Å; T298-Q302 VanDerWaalsContact O-CB 3.26Å; T298-Q302 WeakPolarHBondContact O-CB 3.35Å; T298-Q302 WeakPolarHBondContact O-CG 3.3Å; T298-Q302 PolarHBondContact O-N 3.42Å; T298-Y327 HydrophobicContact CG2-CE1 4.35Å; T298-Y327 HydrophobicContact CG2-CE2 4.33Å; T298-Y327 WeakPolarHBondContact CG2-OH 3.35Å |
| 299 | A | 93.5 | Very high | 94 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.1 | -26.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R303 | A299-R303 WeakPolarHBondContact O-CB 3.48Å; A299-R303 PolarHBondContact O-N 2.96Å; A299-R303 VanDerWaalsContact O-N 3.15Å |
| 300 | G | 94.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.6 | -49 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L295 T297 T298 H304 | L295-G300 WeakPolarHBondContact CD1-O 3.41Å; T297-G300 WeakPolarHBondContact O-CA 3.47Å; T297-G300 PolarHBondContact O-N 3.37Å; T297-G300 VanDerWaalsContact O-N 3.1Å; T297-G300 PolarHBondContact OG1-N 2.95Å; T298-G300 PolarHBondContact O-N 2.78Å; T298-G300 VanDerWaalsContact O-N 3.11Å; G300-H304 WeakPolarHBondContact O-CB 3.31Å; G300-H304 PolarHBondContact O-N 3.5Å |
| 301 | I | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.2 | -40.1 | -178.8 | -154.4 | 72 | 0 | 0 | 0 | 111.9 | F284 C286 K293 L295 T297 T298 H304 I305 Y327 | F284-I301 HydrophobicContact CB-CB 3.92Å; F284-I301 HydrophobicContact CB-CG1 4.23Å; F284-I301 HydrophobicContact CB-CG2 3.71Å; F284-I301 HydrophobicContact CG-CG2 4.28Å; F284-I301 WeakPolarHBondContact O-CD1 3.36Å; C286-I301 HydrophobicContact CB-CD1 4.01Å; C286-I301 HydrophobicContact CB-CG1 4.42Å; K293-I301 WeakPolarHBondContact O-CD1 3.12Å; L295-I301 HydrophobicContact CB-CD1 4.19Å; L295-I301 HydrophobicContact CD1-CD1 4.06Å; L295-I301 HydrophobicContact CG-CD1 4.13Å; T297-I301 PolarHBondContact O-N 2.86Å; T297-I301 VanDerWaalsContact O-N 3.1Å; T298-I301 VanDerWaalsContact O-CG2 3.3Å; T298-I301 WeakPolarHBondContact O-CG2 3.44Å; T298-I301 PolarHBondContact O-N 2.6Å; T298-I301 VanDerWaalsContact O-N 3.07Å; I301-H304 WeakPolarHBondContact O-CB 3.44Å; I301-H304 PolarHBondContact O-N 2.8Å; I301-I305 HydrophobicContact CG1-CD1 4.17Å; I301-I305 WeakPolarHBondContact O-CD1 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.48Å; I301-I305 PolarHBondContact O-N 2.88Å; I301-Y327 HydrophobicContact CG1-CG 4.35Å; I301-Y327 HydrophobicContact CG2-CD1 3.41Å; I301-Y327 VanDerWaalsContact CG2-CD1 3.41Å; I301-Y327 HydrophobicContact CG2-CD2 3.99Å; I301-Y327 HydrophobicContact CG2-CE1 3.81Å; I301-Y327 HydrophobicContact CG2-CE2 4.39Å; I301-Y327 HydrophobicContact CG2-CG 3.51Å |
| 302 | Q | 93.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.5 | -55.6 | 171.4 | -80.2 | 179.2 | -25.4 | 0 | 0 | 111.4 | T298 H304 I305 R306 E323 D324 Y327 | T298-Q302 HydrophobicContact CG2-CG 4.44Å; T298-Q302 VanDerWaalsContact O-CB 3.26Å; T298-Q302 WeakPolarHBondContact O-CB 3.35Å; T298-Q302 WeakPolarHBondContact O-CG 3.3Å; T298-Q302 PolarHBondContact O-N 3.42Å; Q302-H304 VanDerWaalsContact C-N 3.27Å; Q302-H304 PolarHBondContact O-N 2.81Å; Q302-I305 PolarHBondContact O-N 3.19Å; Q302-I305 VanDerWaalsContact O-N 3.08Å; Q302-R306 PolarHBondContact O-N 3.25Å; Q302-E323 WeakPolarHBondContact CA-OE2 3.49Å; Q302-E323 VanDerWaalsContact CB-CD 3.5Å; Q302-E323 HydrophobicContact CB-CG 4.28Å; Q302-E323 WeakPolarHBondContact CB-OE2 3.33Å; Q302-E323 HydrophobicContact CG-CB 4.33Å; Q302-E323 HydrophobicContact CG-CG 3.86Å; Q302-D324 PolarHBondContact NE2-OD1 3.42Å; Q302-Y327 HydrophobicContact CG-CE1 3.83Å |
| 303 | R | 93.4 | Very high | 90.5 | Very high | 156 Ų | 156 | 62.8 Ų | 62.8 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.2 | -42.6 | 174.6 | -175.7 | -173.3 | -61.3 | 113.7 | 0.2 | 112.1 | A299 T307 | A299-R303 WeakPolarHBondContact O-CB 3.48Å; A299-R303 PolarHBondContact O-N 2.96Å; A299-R303 VanDerWaalsContact O-N 3.15Å; R303-T307 HydrophobicContact CG-CG2 4.33Å; R303-T307 WeakPolarHBondContact O-CB 3.27Å; R303-T307 WeakPolarHBondContact O-CG2 3.46Å; R303-T307 PolarHBondContact O-N 2.84Å; R303-T307 PolarHBondContact O-OG1 3.5Å |
| 304 | H | 95.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.06 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.4 | 161 | 37.4 | 0 | 0 | 0 | 111.9 | C291 L295 G300 I301 Q302 T307 I308 H309 | C291-H304 PolarHBondContact SG-CE1 3.45Å; C291-H304 PolarHBondContact SG-NE2 2.87Å; L295-H304 HydrophobicContact CD1-CB 4.16Å; G300-H304 WeakPolarHBondContact O-CB 3.31Å; G300-H304 PolarHBondContact O-N 3.5Å; I301-H304 WeakPolarHBondContact O-CB 3.44Å; I301-H304 PolarHBondContact O-N 2.8Å; Q302-H304 VanDerWaalsContact C-N 3.27Å; Q302-H304 PolarHBondContact O-N 2.81Å; H304-T307 PolarHBondContact O-OG1 2.96Å; H304-I308 VanDerWaalsContact ND1-CG1 3.28Å; H304-I308 WeakPolarHBondContact ND1-CG1 3.47Å; H304-I308 VanDerWaalsContact O-CB 3.28Å; H304-I308 WeakPolarHBondContact O-CB 3.25Å; H304-I308 WeakPolarHBondContact O-CG1 3.28Å; H304-I308 PolarHBondContact O-N 3.26Å; H304-H309 AromaticContact CE1-CD2 3.68Å; H304-H309 AromaticContact CE1-NE2 3.28Å; H304-H309 PolarHBondContact CE1-NE2 3.25Å; H304-H309 VanDerWaalsContact CE1-NE2 3.28Å; H304-H309 AromaticContact NE2-CD2 3.91Å; H304-H309 AromaticContact NE2-NE2 3.53Å |
| 305 | I | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 178.2 | -72.5 | 155.9 | 0 | 0 | 0 | 110.3 | I301 Q302 T307 H309 L310 E323 Y326 Y327 | I301-I305 HydrophobicContact CG1-CD1 4.17Å; I301-I305 WeakPolarHBondContact O-CD1 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.48Å; I301-I305 PolarHBondContact O-N 2.88Å; Q302-I305 PolarHBondContact O-N 3.19Å; Q302-I305 VanDerWaalsContact O-N 3.08Å; I305-T307 PolarHBondContact O-N 2.83Å; I305-H309 WeakPolarHBondContact O-CA 3.32Å; I305-H309 WeakPolarHBondContact O-CB 3.01Å; I305-H309 PolarHBondContact O-N 2.66Å; I305-L310 HydrophobicContact CG2-CD1 3.58Å; I305-L310 PolarHBondContact O-N 2.87Å; I305-L310 VanDerWaalsContact O-N 3.08Å; I305-E323 HydrophobicContact CG2-CB 4.06Å; I305-Y326 HydrophobicContact CG2-CD2 4.07Å; I305-Y326 HydrophobicContact CG2-CG 4.37Å; I305-Y327 HydrophobicContact CD1-CD1 3.88Å; I305-Y327 HydrophobicContact CD1-CG 4.46Å |
| 306 | R | 91.1 | Very high | 84.7 | Confident | 57 Ų | 57 | 68 Ų | 68 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 177.1 | -86.9 | -177.9 | -78.8 | 170.7 | -22.9 | 113.7 | Q302 G311 R312 C318 E323 | Q302-R306 PolarHBondContact O-N 3.25Å; R306-G311 PolarHBondContact O-N 2.89Å; R306-G311 VanDerWaalsContact O-N 3.1Å; R306-R312 PolarHBondContact O-N 3.39Å; R306-R312 VanDerWaalsContact O-N 3.14Å; R306-C318 PolarHBondContact NH1-SG 2.97Å; R306-C318 VanDerWaalsContact NH1-SG 3.44Å; R306-E323 WeakPolarHBondContact CG-OE2 3.41Å; R306-E323 IonicContact CZ-OE1 3.5Å; R306-E323 VanDerWaalsContact CZ-OE1 3.28Å; R306-E323 IonicContact CZ-OE2 3.55Å; R306-E323 VanDerWaalsContact NE-CD 3.3Å; R306-E323 IonicContact NE-OE1 3.25Å; R306-E323 PolarHBondContact NE-OE1 3.02Å; R306-E323 IonicContact NE-OE2 2.72Å; R306-E323 PolarHBondContact NE-OE2 3.35Å; R306-E323 IonicContact NH2-OE1 3.42Å; R306-E323 PolarHBondContact NH2-OE1 3.22Å; R306-E323 IonicContact NH2-OE2 2.77Å; R306-E323 PolarHBondContact NH2-OE2 3.12Å |
| 307 | T | 91.7 | Very high | 82.8 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -82.5 | -35.7 | -172.2 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | R303 H304 I305 | R303-T307 HydrophobicContact CG-CG2 4.33Å; R303-T307 WeakPolarHBondContact O-CB 3.27Å; R303-T307 WeakPolarHBondContact O-CG2 3.46Å; R303-T307 PolarHBondContact O-N 2.84Å; R303-T307 PolarHBondContact O-OG1 3.5Å; H304-T307 PolarHBondContact O-OG1 2.96Å; I305-T307 PolarHBondContact O-N 2.83Å |
| 308 | I | 93.3 | Very high | 81.1 | Confident | 95 Ų | 95 | 70.7 Ų | 70.7 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -97.9 | -25.1 | -174 | -54.5 | -57.2 | 0 | 0 | 0 | 112.4 | H304 | H304-I308 VanDerWaalsContact ND1-CG1 3.28Å; H304-I308 WeakPolarHBondContact ND1-CG1 3.47Å; H304-I308 VanDerWaalsContact O-CB 3.28Å; H304-I308 WeakPolarHBondContact O-CB 3.25Å; H304-I308 WeakPolarHBondContact O-CG1 3.28Å; H304-I308 PolarHBondContact O-N 3.26Å |
| 309 | H | 93.3 | Very high | 79.4 | Confident | 37 Ų | 37 | 73.5 Ų | 73.5 | 17% | 0.171 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -40.4 | -168.8 | -66.6 | -42.7 | 0 | 0 | 0 | 114.2 | W288 C291 H304 I305 | W288-H309 AromaticContact CD1-CE1 3.59Å; W288-H309 AromaticContact CD1-CG 3.79Å; W288-H309 AromaticContact CD1-ND1 3.36Å; W288-H309 HydrophobicContact CD2-CB 3.47Å; W288-H309 VanDerWaalsContact CD2-CB 3.47Å; W288-H309 AromaticContact CD2-CD2 3.93Å; W288-H309 AromaticContact CD2-CG 3.46Å; W288-H309 VanDerWaalsContact CD2-CG 3.46Å; W288-H309 AromaticContact CD2-ND1 3.85Å; W288-H309 AromaticContact CE2-CG 3.77Å; W288-H309 AromaticContact CE2-ND1 3.86Å; W288-H309 HydrophobicContact CE3-CB 3.56Å; W288-H309 AromaticContact CE3-CG 3.91Å; W288-H309 HydrophobicContact CG-CB 4.08Å; W288-H309 AromaticContact CG-CD2 3.66Å; W288-H309 AromaticContact CG-CE1 3.72Å; W288-H309 AromaticContact CG-CG 3.49Å; W288-H309 VanDerWaalsContact CG-CG 3.49Å; W288-H309 AromaticContact CG-ND1 3.54Å; W288-H309 AromaticContact CG-NE2 3.83Å; W288-H309 HydrophobicContact CH2-CB 3.82Å; W288-H309 HydrophobicContact CZ2-CB 3.74Å; W288-H309 HydrophobicContact CZ3-CB 3.73Å; W288-H309 AromaticContact NE1-CG 3.93Å; W288-H309 AromaticContact NE1-ND1 3.55Å; C291-H309 VanDerWaalsContact CB-NE2 3.31Å; C291-H309 WeakPolarHBondContact CB-NE2 3.47Å; C291-H309 PolarHBondContact SG-NE2 2.85Å; H304-H309 AromaticContact CE1-CD2 3.68Å; H304-H309 AromaticContact CE1-NE2 3.28Å; H304-H309 PolarHBondContact CE1-NE2 3.25Å; H304-H309 VanDerWaalsContact CE1-NE2 3.28Å; H304-H309 AromaticContact NE2-CD2 3.91Å; H304-H309 AromaticContact NE2-NE2 3.53Å; I305-H309 WeakPolarHBondContact O-CA 3.32Å; I305-H309 WeakPolarHBondContact O-CB 3.01Å; I305-H309 PolarHBondContact O-N 2.66Å |
| 310 | L | 88.9 | Confident | 78.1 | Confident | 35 Ų | 35 | 77 Ų | 77 | 18% | 0.183 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -88.1 | -16.6 | 175.4 | -77.2 | 59.6 | 0 | 0 | 0 | 112.1 | W288 I305 R312 E322 Y326 | W288-L310 HydrophobicContact CH2-CD1 3.79Å; W288-L310 HydrophobicContact CZ3-CD1 3.53Å; I305-L310 HydrophobicContact CG2-CD1 3.58Å; I305-L310 PolarHBondContact O-N 2.87Å; I305-L310 VanDerWaalsContact O-N 3.08Å; L310-R312 HydrophobicContact CB-CG 4.36Å; L310-R312 PolarHBondContact O-N 3.26Å; L310-R312 VanDerWaalsContact O-N 3.13Å; L310-E322 VanDerWaalsContact CD2-CD 3.44Å; L310-E322 HydrophobicContact CD2-CG 3.94Å; L310-E322 WeakPolarHBondContact CD2-OE2 3.38Å; L310-Y326 HydrophobicContact CD1-CE2 4.49Å |
| 311 | G | 80.3 | Confident | 77.3 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | trans | 64.7 | 11.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R306 S313 | R306-G311 PolarHBondContact O-N 2.89Å; R306-G311 VanDerWaalsContact O-N 3.1Å; G311-S313 PolarHBondContact O-N 3.45Å | ||
| 312 | R | 72.6 | Confident | 76.6 | Confident | 149 Ų | 149 | 80.5 Ų | 80.5 | 56% | 0.562 | 46% | 0.458 | S | S | * | . | trans | -89.3 | 98.5 | -175.5 | -71.9 | 178.8 | 176.9 | -177.6 | -5.9 | 110 | R306 L310 C314 E322 | R306-R312 PolarHBondContact O-N 3.39Å; R306-R312 VanDerWaalsContact O-N 3.14Å; L310-R312 HydrophobicContact CB-CG 4.36Å; L310-R312 PolarHBondContact O-N 3.26Å; L310-R312 VanDerWaalsContact O-N 3.13Å; R312-C314 PolarHBondContact O-N 2.67Å; R312-E322 IonicContact CZ-OE1 2.7Å; R312-E322 IonicContact NH1-OE1 2.83Å; R312-E322 PolarHBondContact NH1-OE1 2.72Å; R312-E322 IonicContact NH1-OE2 3.28Å | ||
| 313 | S | 59 | Low | 76.3 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | trans | -65.6 | 118.4 | 160.3 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | G311 D315 | G311-S313 PolarHBondContact O-N 3.45Å; S313-D315 PolarHBondContact O-N 2.96Å; S313-D315 VanDerWaalsContact O-N 3.16Å | ||
| 314 | C | 61.2 | Low | 76.3 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -56.7 | 113.4 | -171.7 | 174.4 | 0 | 0 | 0 | 0 | 113.2 | R312 | R312-C314 PolarHBondContact O-N 2.67Š|
| 315 | D | 47 | Very low | 76.2 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 81% | 0.813 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -141.1 | -25.5 | 160.7 | -168 | -113.4 | 0 | 0 | 0 | 113.1 | S313 | S313-D315 PolarHBondContact O-N 2.96Å; S313-D315 VanDerWaalsContact O-N 3.16Å |
| 316 | S | 56.3 | Low | 76.2 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 66% | 0.657 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -125 | 128.6 | 179.5 | -39.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 317 | D | 54.8 | Low | 76.4 | Confident | 136 Ų | 136 | 85.8 Ų | 85.8 | 73% | 0.727 | 49% | 0.488 | S | S | * | . | trans | 48.3 | 62.4 | 159.7 | -59 | -43.3 | 0 | 0 | 0 | 118.1 | S319 | D317-S319 PolarHBondContact O-N 3.35Š| ||
| 318 | C | 57.9 | Low | 76.6 | Confident | 68 Ų | 68 | 85 Ų | 85 | 46% | 0.459 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 40.1 | 164.6 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | R306 | R306-C318 PolarHBondContact NH1-SG 2.97Å; R306-C318 VanDerWaalsContact NH1-SG 3.44Å |
| 319 | S | 59.3 | Low | 76.7 | Confident | 107 Ų | 107 | 85.2 Ų | 85.2 | 75% | 0.748 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -6.2 | -171.1 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | D317 | D317-S319 PolarHBondContact O-N 3.35Š|
| 320 | D | 66.6 | Low | 76.7 | Confident | 128 Ų | 128 | 85.9 Ų | 85.9 | 68% | 0.684 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -80.7 | -15.5 | -172.3 | -161.9 | 41.3 | 0 | 0 | 0 | 113.9 | E322 | D320-E322 PolarHBondContact O-N 3.14Š|
| 321 | G | 77.7 | Confident | 76.8 | Confident | 31 Ų | 31 | 91.2 Ų | 91.2 | 32% | 0.32 | 51% | 0.508 | S | S | . | . | trans | 67.5 | 8.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E323 D324 | G321-E323 PolarHBondContact O-N 3.43Å; G321-D324 WeakPolarHBondContact O-CB 3.1Å; G321-D324 PolarHBondContact O-N 3.42Å | ||
| 322 | E | 82.4 | Confident | 77 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 23% | 0.234 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -52.5 | -31.9 | 179.9 | 61.5 | 174.4 | 154.2 | 0 | 0 | 112.8 | L310 R312 D320 D324 Y326 | L310-E322 VanDerWaalsContact CD2-CD 3.44Å; L310-E322 HydrophobicContact CD2-CG 3.94Å; L310-E322 WeakPolarHBondContact CD2-OE2 3.38Å; R312-E322 IonicContact CZ-OE1 2.7Å; R312-E322 IonicContact NH1-OE1 2.83Å; R312-E322 PolarHBondContact NH1-OE1 2.72Å; R312-E322 IonicContact NH1-OE2 3.28Å; D320-E322 PolarHBondContact O-N 3.14Å; E322-D324 VanDerWaalsContact C-N 3.31Å; E322-D324 PolarHBondContact O-N 3.13Å; E322-Y326 WeakPolarHBondContact O-CD2 3.02Å; E322-Y326 WeakPolarHBondContact O-CE2 3.4Å |
| 323 | E | 87.4 | Confident | 77.2 | Confident | 15 Ų | 15 | 85 Ų | 85 | 7% | 0.07 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -67.6 | -23.8 | 178.6 | 47.3 | -174 | 170.5 | 0 | 0 | 114.7 | Q302 I305 R306 G321 F325 Y326 Y327 | Q302-E323 WeakPolarHBondContact CA-OE2 3.49Å; Q302-E323 VanDerWaalsContact CB-CD 3.5Å; Q302-E323 HydrophobicContact CB-CG 4.28Å; Q302-E323 WeakPolarHBondContact CB-OE2 3.33Å; Q302-E323 HydrophobicContact CG-CB 4.33Å; Q302-E323 HydrophobicContact CG-CG 3.86Å; I305-E323 HydrophobicContact CG2-CB 4.06Å; R306-E323 WeakPolarHBondContact CG-OE2 3.41Å; R306-E323 IonicContact CZ-OE1 3.5Å; R306-E323 VanDerWaalsContact CZ-OE1 3.28Å; R306-E323 IonicContact CZ-OE2 3.55Å; R306-E323 VanDerWaalsContact NE-CD 3.3Å; R306-E323 IonicContact NE-OE1 3.25Å; R306-E323 PolarHBondContact NE-OE1 3.02Å; R306-E323 IonicContact NE-OE2 2.72Å; R306-E323 PolarHBondContact NE-OE2 3.35Å; R306-E323 IonicContact NH2-OE1 3.42Å; R306-E323 PolarHBondContact NH2-OE1 3.22Å; R306-E323 IonicContact NH2-OE2 2.77Å; R306-E323 PolarHBondContact NH2-OE2 3.12Å; G321-E323 PolarHBondContact O-N 3.43Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.43Å; E323-Y326 PolarHBondContact O-N 3.36Å; E323-Y327 WeakPolarHBondContact O-CD1 3.34Å |
| 324 | D | 91.6 | Very high | 77.5 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -75.5 | -24 | -176.8 | -63.9 | -3.5 | 0 | 0 | 0 | 112.4 | Q302 G321 E322 Y326 Y327 | Q302-D324 PolarHBondContact NE2-OD1 3.42Å; G321-D324 WeakPolarHBondContact O-CB 3.1Å; G321-D324 PolarHBondContact O-N 3.42Å; E322-D324 VanDerWaalsContact C-N 3.31Å; E322-D324 PolarHBondContact O-N 3.13Å; D324-Y326 PolarHBondContact O-N 2.59Å; D324-Y327 HydrophobicContact CB-CE1 4.18Å; D324-Y327 WeakPolarHBondContact OD1-CE1 3.35Å; D324-Y327 PolarHBondContact OD1-OH 2.8Å |
| 325 | F | 93.4 | Very high | 77.5 | Confident | 169 Ų | 169 | 85.7 Ų | 85.7 | 74% | 0.741 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -70 | -18.4 | 172.4 | -65.7 | -89.2 | 0 | 0 | 0 | 113.2 | E323 | E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.43Å |
| 326 | Y | 94.1 | Very high | 78.1 | Confident | 88 Ų | 88 | 81 Ų | 81 | 35% | 0.345 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -104 | 11.1 | -174.4 | -58.2 | -70.3 | 0 | 0 | 0 | 114 | C286 L287 W288 I305 L310 E322 E323 D324 | C286-Y326 WeakPolarHBondContact CA-O 3.36Å; L287-Y326 PolarHBondContact N-O 3.41Å; W288-Y326 AromaticContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD2 4.47Å; W288-Y326 AromaticContact CE3-CE1 3.98Å; W288-Y326 HydrophobicContact CE3-CE1 3.98Å; W288-Y326 AromaticContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CH2-CE1 4.48Å; W288-Y326 AromaticContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD2 4.06Å; W288-Y326 AromaticContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE2 4.05Å; W288-Y326 AromaticContact CZ3-CG 3.87Å; W288-Y326 HydrophobicContact CZ3-CG 3.87Å; W288-Y326 AromaticContact CZ3-CZ 3.84Å; I305-Y326 HydrophobicContact CG2-CD2 4.07Å; I305-Y326 HydrophobicContact CG2-CG 4.37Å; L310-Y326 HydrophobicContact CD1-CE2 4.49Å; E322-Y326 WeakPolarHBondContact O-CD2 3.02Å; E322-Y326 WeakPolarHBondContact O-CE2 3.4Å; E323-Y326 PolarHBondContact O-N 3.36Å; D324-Y326 PolarHBondContact O-N 2.59Å |
| 327 | Y | 95.8 | Very high | 78 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 11% | 0.114 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 166.4 | 166.7 | 70 | -98.9 | 0 | 0 | 0 | 113.2 | F284 K285 T298 I301 Q302 I305 E323 D324 | F284-Y327 HydrophobicContact CB-CD2 4.4Å; F284-Y327 AromaticContact CD1-CD2 3.92Å; F284-Y327 HydrophobicContact CD1-CD2 3.92Å; F284-Y327 AromaticContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CE1-CE2 4.33Å; K285-Y327 CarbonylContact O-C 3.6Å; K285-Y327 WeakPolarHBondContact O-CA 3.28Å; K285-Y327 WeakPolarHBondContact O-CB 3.15Å; T298-Y327 HydrophobicContact CG2-CE1 4.35Å; T298-Y327 HydrophobicContact CG2-CE2 4.33Å; T298-Y327 WeakPolarHBondContact CG2-OH 3.35Å; I301-Y327 HydrophobicContact CG1-CG 4.35Å; I301-Y327 HydrophobicContact CG2-CD1 3.41Å; I301-Y327 VanDerWaalsContact CG2-CD1 3.41Å; I301-Y327 HydrophobicContact CG2-CD2 3.99Å; I301-Y327 HydrophobicContact CG2-CE1 3.81Å; I301-Y327 HydrophobicContact CG2-CE2 4.39Å; I301-Y327 HydrophobicContact CG2-CG 3.51Å; Q302-Y327 HydrophobicContact CG-CE1 3.83Å; I305-Y327 HydrophobicContact CD1-CD1 3.88Å; I305-Y327 HydrophobicContact CD1-CG 4.46Å; E323-Y327 WeakPolarHBondContact O-CD1 3.34Å; D324-Y327 HydrophobicContact CB-CE1 4.18Å; D324-Y327 WeakPolarHBondContact OD1-CE1 3.35Å; D324-Y327 PolarHBondContact OD1-OH 2.8Å |
| 328 | T | 96.1 | Very high | 78.1 | Confident | 63 Ų | 63 | 76.7 Ų | 76.7 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.1 | 169.7 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | F284 K285 L287 I330 | F284-T328 WeakPolarHBondContact CA-O 3.08Å; K285-T328 HydrophobicContact CB-CG2 4.25Å; K285-T328 PolarHBondContact N-O 3.32Å; K285-T328 PolarHBondContact O-N 3.01Å; L287-T328 HydrophobicContact CD2-CG2 3.91Å; T328-I330 HydrophobicContact CG2-CG1 4.33Å |
| 329 | E | 96.2 | Very high | 78.1 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.9 | 175.9 | -56.2 | -165.8 | 164.7 | 0 | 0 | 111.1 | V282 F284 | V282-E329 HydrophobicContact CG1-CB 4.27Å; F284-E329 HydrophobicContact CD1-CG 3.89Å; F284-E329 HydrophobicContact CE1-CG 3.71Å; F284-E329 WeakPolarHBondContact CE1-OE1 3.49Å |
| 330 | I | 93.3 | Very high | 78 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 26% | 0.256 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.5 | 175.4 | -52.9 | -178 | 0 | 0 | 0 | 108.3 | M283 K285 T328 L332 | M283-I330 PolarHBondContact N-O 3.33Å; M283-I330 PolarHBondContact O-N 3.32Å; K285-I330 HydrophobicContact CB-CD1 3.59Å; K285-I330 HydrophobicContact CB-CG1 4.23Å; K285-I330 HydrophobicContact CD-CD1 3.89Å; K285-I330 HydrophobicContact CG-CD1 4.35Å; T328-I330 HydrophobicContact CG2-CG1 4.33Å; I330-L332 HydrophobicContact CG2-CD2 3.61Å; I330-L332 HydrophobicContact CG2-CG 3.88Å; I330-L332 PolarHBondContact O-N 3.19Å |
| 331 | K | 91 | Very high | 77.3 | Confident | 147 Ų | 147 | 76 Ų | 76 | 64% | 0.639 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 93 | 175.5 | -65.9 | 176 | -178.3 | 172.9 | 0 | 109.1 | V282 | V282-K331 HydrophobicContact CG2-CG 4.37Å |
| 332 | L | 83.3 | Confident | 75.9 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 23% | 0.225 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.9 | 177 | -63.3 | 178.1 | 0 | 0 | 0 | 109.7 | M280 K281 M283 I330 V337 | M280-L332 CarbonylContact C-O 3.59Å; M280-L332 WeakPolarHBondContact CA-O 3.2Å; K281-L332 PolarHBondContact N-O 3.43Å; K281-L332 PolarHBondContact O-N 2.86Å; M283-L332 HydrophobicContact CE-CD1 3.36Å; M283-L332 HydrophobicContact CG-CD1 4.1Å; M283-L332 HydrophobicContact SD-CD1 4.31Å; I330-L332 HydrophobicContact CG2-CD2 3.61Å; I330-L332 HydrophobicContact CG2-CG 3.88Å; I330-L332 PolarHBondContact O-N 3.19Å; L332-V337 HydrophobicContact CB-CG1 4.16Å; L332-V337 HydrophobicContact CD1-CG1 3.97Å; L332-V337 HydrophobicContact CD2-CG1 4.45Å; L332-V337 HydrophobicContact CG-CG1 4.43Å |
| 333 | N | 77.7 | Confident | 74.5 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 22% | 0.219 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 147.2 | 160.4 | 69.9 | 81.3 | 0 | 0 | 0 | 109.2 | N278 D335 S336 | N278-N333 WeakPolarHBondContact ND2-CB 3.45Å; N278-N333 WeakPolarHBondContact OD1-CB 3.4Å; N333-D335 PolarHBondContact O-N 3.48Å; N333-D335 WeakPolarHBondContact OD1-CB 3.36Å; N333-D335 PolarHBondContact OD1-N 3.29Å; N333-S336 VanDerWaalsContact ND2-CB 3.35Å; N333-S336 WeakPolarHBondContact ND2-CB 3.33Å; N333-S336 PolarHBondContact ND2-OG 2.9Å; N333-S336 PolarHBondContact O-N 3.13Å; N333-S336 WeakPolarHBondContact OD1-CB 3.35Å; N333-S336 PolarHBondContact OD1-N 2.98Å; N333-S336 PolarHBondContact OD1-OG 3.46Å |
| 334 | T | 64.3 | Low | 72.5 | Confident | 83 Ų | 83 | 86.2 Ų | 86.2 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.5 | -174.3 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | S279 V337 | S279-T334 VanDerWaalsContact CB-OG1 3.31Å; S279-T334 WeakPolarHBondContact CB-OG1 3.45Å; S279-T334 PolarHBondContact O-N 3.08Å; S279-T334 PolarHBondContact O-OG1 3.23Å; S279-T334 PolarHBondContact OG-OG1 2.82Å; T334-V337 WeakPolarHBondContact O-CG2 3.4Å |
| 335 | D | 60.8 | Low | 70 | Confident | 132 Ų | 132 | 86.6 Ų | 86.6 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -43.3 | 172.4 | -80.8 | -109.5 | 0 | 0 | 0 | 112.7 | N333 V337 A338 | N333-D335 PolarHBondContact O-N 3.48Å; N333-D335 WeakPolarHBondContact OD1-CB 3.36Å; N333-D335 PolarHBondContact OD1-N 3.29Å; D335-V337 VanDerWaalsContact C-N 3.29Å; D335-V337 PolarHBondContact O-N 2.88Å; D335-A338 PolarHBondContact O-N 3.39Å |
| 336 | S | 59.7 | Low | 67.4 | Low | 53 Ų | 53 | 83.6 Ų | 83.6 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.9 | -172.9 | -71.1 | 0 | 0 | 0 | 0 | 115.6 | N333 A338 D339 G340 | N333-S336 VanDerWaalsContact ND2-CB 3.35Å; N333-S336 WeakPolarHBondContact ND2-CB 3.33Å; N333-S336 PolarHBondContact ND2-OG 2.9Å; N333-S336 PolarHBondContact O-N 3.13Å; N333-S336 WeakPolarHBondContact OD1-CB 3.35Å; N333-S336 PolarHBondContact OD1-N 2.98Å; N333-S336 PolarHBondContact OD1-OG 3.46Å; S336-A338 PolarHBondContact O-N 2.91Å; S336-D339 PolarHBondContact O-N 3.31Å; S336-G340 PolarHBondContact O-N 3.35Å |
| 337 | V | 55.6 | Low | 64.6 | Low | 59 Ų | 59 | 85.8 Ų | 85.8 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -15.5 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | L332 T334 D335 | L332-V337 HydrophobicContact CB-CG1 4.16Å; L332-V337 HydrophobicContact CD1-CG1 3.97Å; L332-V337 HydrophobicContact CD2-CG1 4.45Å; L332-V337 HydrophobicContact CG-CG1 4.43Å; T334-V337 WeakPolarHBondContact O-CG2 3.4Å; D335-V337 VanDerWaalsContact C-N 3.29Å; D335-V337 PolarHBondContact O-N 2.88Å |
| 338 | A | 57.1 | Low | 61.7 | Low | 81 Ų | 81 | 89.1 Ų | 89.1 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.6 | -40.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D335 S336 | D335-A338 PolarHBondContact O-N 3.39Å; S336-A338 PolarHBondContact O-N 2.91Å |
| 339 | D | 57.8 | Low | 59 | Low | 135 Ų | 135 | 91.8 Ų | 91.8 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -93.6 | -34.7 | -178.5 | -69.1 | -61.5 | 0 | 0 | 0 | 113.4 | S336 L341 | S336-D339 PolarHBondContact O-N 3.31Å; D339-L341 PolarHBondContact O-N 2.91Å |
| 340 | G | 55.4 | Low | 56.2 | Low | 39 Ų | 39 | 91.8 Ų | 91.8 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.5 | -22.1 | -166 | 0 | 0 | 0 | 0 | 0 | 116.1 | S336 S343 | S336-G340 PolarHBondContact O-N 3.35Å; G340-S343 PolarHBondContact O-N 3.11Å |
| 341 | L | 51.8 | Low | 53.7 | Low | 115 Ų | 115 | 96.3 Ų | 96.3 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -79.2 | -24.6 | -175.9 | -63.7 | -179.7 | 0 | 0 | 0 | 113.1 | D339 S343 L344 | D339-L341 PolarHBondContact O-N 2.91Å; L341-S343 PolarHBondContact O-N 3.47Å; L341-L344 PolarHBondContact O-N 2.86Å |
| 342 | S | 50.2 | Low | 51.3 | Low | 101 Ų | 101 | 97.5 Ų | 97.5 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -62.6 | -20.2 | 172.9 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 343 | S | 51.3 | Low | 49.7 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -87.1 | -13.5 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 113.9 | G340 L341 | G340-S343 PolarHBondContact O-N 3.11Å; L341-S343 PolarHBondContact O-N 3.47Å |
| 344 | L | 46 | Very low | 48.4 | Very low | 107 Ų | 107 | 104.4 Ų | 104.4 | 56% | 0.56 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -103.1 | 10.1 | 177.1 | -65.5 | -178.2 | 0 | 0 | 0 | 113.6 | L341 | L341-L344 PolarHBondContact O-N 2.86Š|
| 345 | S | 39 | Very low | 48.2 | Very low | 80 Ų | 80 | 105.9 Ų | 105.9 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -58.3 | 136.2 | 159.5 | -166.2 | 0 | 0 | 0 | 0 | 108.6 | V347 | S345-V347 PolarHBondContact O-N 3.3Š|
| 346 | P | 38.4 | Very low | 48.4 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 69% | 0.688 | 68% | 0.677 | S | S | * | * | trans | -55.8 | 132.9 | 171 | 25.5 | -33.7 | 0 | 0 | 0 | 108.3 | S348 | P346-S348 VanDerWaalsContact C-N 3.33Å; P346-S348 PolarHBondContact O-N 3.18Å | ||
| 347 | V | 36.7 | Very low | 48.7 | Very low | 135 Ų | 135 | 108.3 Ų | 108.3 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -63.1 | 98.3 | 176.2 | 58.9 | 0 | 0 | 0 | 0 | 108.7 | S345 S349 | S345-V347 PolarHBondContact O-N 3.3Å; V347-S349 PolarHBondContact O-N 2.69Å | ||
| 348 | S | 35 | Very low | 48.8 | Very low | 99 Ų | 99 | 110.9 Ų | 110.9 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -58 | 109.3 | 172.3 | -69.5 | 0 | 0 | 0 | 0 | 108 | P346 S350 | P346-S348 VanDerWaalsContact C-N 3.33Å; P346-S348 PolarHBondContact O-N 3.18Å; S348-S350 PolarHBondContact O-N 3.4Å | ||
| 349 | S | 37.8 | Very low | 48.5 | Very low | 118 Ų | 118 | 113 Ų | 113 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -64.3 | 100.2 | 168.3 | -66.2 | 0 | 0 | 0 | 0 | 107.9 | V347 | V347-S349 PolarHBondContact O-N 2.69Š| ||
| 350 | S | 37.6 | Very low | 48.1 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -155.7 | 82.7 | 178.3 | -83 | 0 | 0 | 0 | 0 | 111.5 | S348 | S348-S350 PolarHBondContact O-N 3.4Š| ||
| 351 | V | 41.8 | Very low | 47.9 | Very low | 146 Ų | 146 | 116.1 Ų | 116.1 | 89% | 0.885 | 74% | 0.744 | S | S | * | * | trans | -140.6 | 91.5 | 135.8 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 352 | L | 40.1 | Very low | 47.4 | Very low | 171 Ų | 171 | 118.9 Ų | 118.9 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -175 | 100.9 | 150.8 | -103.8 | 161.6 | 0 | 0 | 0 | 107.1 | ||||
| 353 | S | 49.6 | Very low | 46.9 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 144 | 179.4 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 354 | P | 51.2 | Low | 46.5 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 143.5 | 163.5 | 29.8 | -33.2 | 0 | 0 | 0 | 109.7 | ||
| 355 | P | 58.3 | Low | 46.2 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 153.2 | 174.3 | 29.2 | -34.5 | 0 | 0 | 0 | 111.3 | ||
| 356 | P | 66.3 | Low | 45.8 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67 | 150.5 | 177 | 28.9 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 357 | P | 66.1 | Low | 45.5 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 150.3 | 177.5 | 29.8 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 358 | P | 58.3 | Low | 45.5 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150 | 175.9 | 29.8 | -34.9 | 0 | 0 | 0 | 111.8 | S360 | P358-S360 PolarHBondContact O-N 2.72Š|
| 359 | P | 49.7 | Very low | 45.8 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 128.1 | 179.2 | 28.5 | -34 | 0 | 0 | 0 | 111.3 | ||
| 360 | S | 50.6 | Low | 45.4 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 128.7 | 169.2 | -64.1 | 0 | 0 | 0 | 0 | 110 | P358 | P358-S360 PolarHBondContact O-N 2.72Š|
| 361 | P | 49.6 | Very low | 45 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 148.6 | 176 | 30 | -33.6 | 0 | 0 | 0 | 111.4 | ||
| 362 | L | 41.2 | Very low | 44.5 | Very low | 173 Ų | 173 | 128 Ų | 128 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 160.5 | -178.4 | -70.1 | 166 | 0 | 0 | 0 | 112.7 | ||
| 363 | A | 40.8 | Very low | 44 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 364 | P | 43.3 | Very low | 43.1 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -133.9 | 149.4 | 116.4 | 33.5 | -22.5 | 0 | 0 | 0 | 115.7 | |||||
| 365 | L | 38.3 | Very low | 42 | Very low | 152 Ų | 152 | 131 Ų | 131 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -10.9 | 134.9 | 154.2 | -68.7 | 122.3 | 0 | 0 | 0 | 117.5 | ||||
| 366 | N | 31.9 | Very low | 40.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | -173.2 | 142.4 | 106.3 | -100.1 | -17.8 | 0 | 0 | 0 | 116.8 | |||||
| 367 | H | 31.6 | Very low | 39.7 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 55.3 | 105.9 | 145.8 | -51.1 | -38 | 0 | 0 | 0 | 122.1 | ||||
| 368 | Q | 36.5 | Very low | 38 | Very low | 164 Ų | 164 | 132 Ų | 132 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | -63 | 161.9 | 128.3 | -128.9 | -136 | -48.3 | 0 | 0 | 108.7 | |||||
| 369 | P | 40.8 | Very low | 36.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -150.5 | 177.5 | 41.3 | 44.1 | -23 | 0 | 0 | 0 | 119 | ||||
| 370 | D | 30.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | trans | 70.1 | 155.8 | 142 | -113.3 | -69.2 | 0 | 0 | 0 | 126.9 | ||||
| 371 | S | 29.1 | Very low | 34.9 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | trans | 84.4 | 105 | 146.6 | -73.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 372 | H | 31.2 | Very low | 34.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | 62.3 | 118.5 | 122.4 | -55.5 | -37.4 | 0 | 0 | 0 | 120.1 | |||||
| 373 | R | 29.7 | Very low | 34.4 | Very low | 215 Ų | 215 | 133.7 Ų | 133.7 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | 101.9 | 145 | 63.2 | -178.6 | -170.6 | 161.9 | -165 | -5.6 | 111.3 | |||||
| 374 | L | 30.3 | Very low | 34 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | 111.5 | 135.3 | 165.6 | -62 | 170.2 | 0 | 0 | 0 | 113 | ||||
| 375 | A | 28.6 | Very low | 33.9 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | cis | -155.1 | 168.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 376 | H | 32.3 | Very low | 33.5 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | trans | -71.4 | -179.1 | 176.5 | -136.7 | -126.1 | 0 | 0 | 0 | 111.9 | ||||
| 377 | P | 44.5 | Very low | 33.4 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | cis | -149.9 | 179.2 | 17.7 | 44.2 | -23.2 | 0 | 0 | 0 | 121.4 | ||||
| 378 | S | 29.1 | Very low | 33.6 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | 79.4 | 144.4 | 148.2 | -79.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 379 | D | 30.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | -144.6 | 172.6 | 6 | -151.7 | -100.3 | 0 | 0 | 0 | 114.7 | ||||
| 380 | S | 30 | Very low | 33.8 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -39.2 | 166.6 | -175.1 | 66.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 381 | K | 33.5 | Very low | 34.1 | Very low | 195 Ų | 195 | 129.9 Ų | 129.9 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | cis | -167.2 | 139.2 | 30.4 | -165 | 177.2 | 179.8 | -177.9 | 0 | 112.6 | ||||
| 382 | E | 33.7 | Very low | 34.6 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | -94.5 | 160 | 171.6 | -95.7 | -77.1 | 114.8 | 0 | 0 | 112 | H384 | E382-H384 IonicContact OE2-CE1 3.85Å; E382-H384 PolarHBondContact OE2-CE1 2.91Å; E382-H384 IonicContact OE2-CG 3.9Å; E382-H384 PolarHBondContact OE2-N 2.75Å; E382-H384 IonicContact OE2-ND1 2.89Å; E382-H384 PolarHBondContact OE2-ND1 2.92Å | ||
| 383 | P | 46.4 | Very low | 35.2 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -146.2 | 143.9 | 96.4 | 36.4 | -18.7 | 0 | 0 | 0 | 117.9 | |||||
| 384 | H | 32.6 | Very low | 35.8 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -40.1 | 168 | 159.4 | -73 | -2.6 | 0 | 0 | 0 | 117.2 | E382 | E382-H384 IonicContact OE2-CE1 3.85Å; E382-H384 PolarHBondContact OE2-CE1 2.91Å; E382-H384 IonicContact OE2-CG 3.9Å; E382-H384 PolarHBondContact OE2-N 2.75Å; E382-H384 IonicContact OE2-ND1 2.89Å; E382-H384 PolarHBondContact OE2-ND1 2.92Å | ||
| 385 | P | 41.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | cis | -144.8 | 165.3 | 24 | 41.1 | -21.6 | 0 | 0 | 0 | 119.9 | ||||
| 386 | G | 31 | Very low | 37.2 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 104.1 | 138.1 | 132.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 387 | G | 29.5 | Very low | 37.7 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 100.9 | 95.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 388 | T | 36 | Very low | 37.7 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | trans | 38.8 | 114 | 136.2 | 58.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 389 | T | 38.2 | Very low | 38.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 58.9 | 100.8 | 133.3 | -36.5 | 0 | 0 | 0 | 0 | 119.3 | L391 | T389-L391 HydrophobicContact CG2-CG 4.33Å; T389-L391 PolarHBondContact O-N 3.23Å | ||
| 390 | P | 42.6 | Very low | 39.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -80.1 | 96.9 | 162 | 32 | -31 | 0 | 0 | 0 | 111 | ||||
| 391 | L | 37.6 | Very low | 40.6 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 131.4 | 161.3 | -78.9 | 169.8 | 0 | 0 | 0 | 110.2 | T389 | T389-L391 HydrophobicContact CG2-CG 4.33Å; T389-L391 PolarHBondContact O-N 3.23Å | ||
| 392 | S | 38 | Very low | 41.2 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 44.7 | 114.1 | 147.5 | -57.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 393 | R | 45 | Very low | 41.9 | Very low | 255 Ų | 255 | 133.2 Ų | 133.2 | 96% | 0.962 | 79% | 0.785 | S | S | * | * | -171.9 | 97.2 | 128.6 | -108.3 | 161 | 157.8 | -124.5 | -7.1 | 113.7 | |||||
| 394 | S | 41.4 | Very low | 42 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -85.9 | 107.1 | 166.7 | -51.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 395 | A | 42.8 | Very low | 43 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -152.9 | 117.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S397 | A395-S397 PolarHBondContact O-N 3.11Š| ||
| 396 | P | 45.7 | Very low | 43.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | trans | -75.9 | 124.6 | 179.7 | 29.5 | -32.5 | 0 | 0 | 0 | 110.9 | A398 | P396-A398 PolarHBondContact O-N 2.77Š| ||
| 397 | S | 43.5 | Very low | 44.5 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -80.3 | 111.3 | 168.6 | -174 | 0 | 0 | 0 | 0 | 109.4 | A395 | A395-S397 PolarHBondContact O-N 3.11Š| ||
| 398 | A | 44.2 | Very low | 45.4 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 54% | 0.537 | 77% | 0.771 | S | S | . | * | trans | -135.4 | 76.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P396 Y400 | P396-A398 PolarHBondContact O-N 2.77Å; A398-Y400 HydrophobicContact CB-CE2 4.17Å; A398-Y400 PolarHBondContact O-N 3.39Å | ||
| 399 | L | 47.2 | Very low | 46.2 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -75.6 | 97.4 | 167.9 | -67.8 | 176.1 | 0 | 0 | 0 | 108.9 | L401 | L399-L401 PolarHBondContact O-N 2.9Å; L399-L401 VanDerWaalsContact O-N 3.13Å | ||
| 400 | Y | 49.8 | Very low | 46.6 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -70.8 | 104.5 | 168.3 | -72.6 | -83.5 | 0 | 0 | 0 | 109.3 | A398 I402 | A398-Y400 HydrophobicContact CB-CE2 4.17Å; A398-Y400 PolarHBondContact O-N 3.39Å; Y400-I402 PolarHBondContact O-N 2.89Å; Y400-I402 VanDerWaalsContact O-N 3.12Å | ||
| 401 | L | 51.8 | Low | 46.8 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -76 | 96.1 | 176 | -169.3 | 66.2 | 0 | 0 | 0 | 109.2 | L399 H403 | L399-L401 PolarHBondContact O-N 2.9Å; L399-L401 VanDerWaalsContact O-N 3.13Å; L401-H403 VanDerWaalsContact CD2-NE2 3.33Å; L401-H403 WeakPolarHBondContact CD2-NE2 3.44Å; L401-H403 PolarHBondContact O-N 2.92Å | ||
| 402 | I | 47.1 | Very low | 47.4 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 107.9 | 176.2 | -59.7 | 172.8 | 0 | 0 | 0 | 108.3 | Y400 T404 | Y400-I402 PolarHBondContact O-N 2.89Å; Y400-I402 VanDerWaalsContact O-N 3.12Å; I402-T404 PolarHBondContact O-N 3.32Å | ||
| 403 | H | 47.5 | Very low | 48 | Very low | 157 Ų | 157 | 158.1 Ų | 158.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -81.7 | 105.9 | 169.8 | -74.3 | -169.8 | 0 | 0 | 0 | 109.6 | L401 D405 | L401-H403 VanDerWaalsContact CD2-NE2 3.33Å; L401-H403 WeakPolarHBondContact CD2-NE2 3.44Å; L401-H403 PolarHBondContact O-N 2.92Å; H403-D405 PolarHBondContact O-N 2.82Å | ||
| 404 | T | 48.5 | Very low | 48.1 | Very low | 95 Ų | 95 | 153.3 Ų | 153.3 | 58% | 0.583 | 80% | 0.799 | S | S | * | * | trans | -84.4 | 101.1 | 170.2 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | I402 H406 | I402-T404 PolarHBondContact O-N 3.32Å; T404-H406 WeakPolarHBondContact CG2-NE2 3.3Å; T404-H406 PolarHBondContact O-N 3.05Å | ||
| 405 | D | 54.8 | Low | 48.5 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -76.3 | 119.8 | 171.5 | -170.9 | -102.7 | 0 | 0 | 0 | 110.4 | H403 | H403-D405 PolarHBondContact O-N 2.82Š| ||
| 406 | H | 50.4 | Low | 48.8 | Very low | 150 Ų | 150 | 158.2 Ų | 158.2 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -119.7 | 78.8 | 175.2 | -78.2 | -51.5 | 0 | 0 | 0 | 109.8 | T404 Y408 | T404-H406 WeakPolarHBondContact CG2-NE2 3.3Å; T404-H406 PolarHBondContact O-N 3.05Å; H406-Y408 VanDerWaalsContact C-N 3.34Å; H406-Y408 PolarHBondContact O-N 2.84Å | ||
| 407 | A | 53.4 | Low | 49 | Very low | 87 Ų | 87 | 159.8 Ų | 159.8 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 84.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q409 | A407-Q409 PolarHBondContact O-N 3.37Š| ||
| 408 | Y | 47.5 | Very low | 49.3 | Very low | 220 Ų | 220 | 162.6 Ų | 162.6 | 86% | 0.863 | 79% | 0.794 | S | S | * | * | trans | -69.7 | 109.1 | 160.8 | -94.4 | -92.9 | 0 | 0 | 0 | 109.9 | H406 | H406-Y408 VanDerWaalsContact C-N 3.34Å; H406-Y408 PolarHBondContact O-N 2.84Å | ||
| 409 | Q | 52.6 | Low | 49.7 | Very low | 185 Ų | 185 | 169.1 Ų | 169.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -127.3 | 98.9 | 153 | -74 | -161.9 | 15.3 | 0 | 0 | 110.6 | A407 | A407-Q409 PolarHBondContact O-N 3.37Š| ||
| 410 | A | 46.9 | Very low | 49.8 | Very low | 102 Ų | 102 | 169.4 Ų | 169.4 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -71.4 | 124.7 | 162 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 411 | R | 47.9 | Very low | 49.8 | Very low | 237 Ų | 237 | 166.2 Ų | 166.2 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -121.7 | 99.6 | 167.1 | -157.4 | 173.7 | -164.2 | 169.1 | 5 | 109.4 | ||||
| 412 | K | 50.2 | Low | 49.7 | Very low | 191 Ų | 191 | 167.8 Ų | 167.8 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -72.6 | 134.2 | 156.6 | -70 | -177.8 | 176.1 | -178.7 | 0 | 107.9 | ||||
| 413 | Y | 49.3 | Very low | 49.9 | Very low | 305 Ų | 305 | 169.9 Ų | 169.9 | 100% | 1.196 | 82% | 0.815 | S | S | * | * | -159.8 | 0 | 122.9 | -100 | -68.1 | 0 | 0 | 0 | 108.3 |
Retrieved 413 of 413 residues in 495.9 ms
(Link to these results)