| 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 | 43 | Very low | 45 | Very low | 247 Ų | 247 | 135.5 Ų | 135.5 | 100% | 1.217 | 79% | 0.792 | S | S | * | * | 0 | 139 | 0 | -64.1 | -176.5 | -72.5 | 0 | 0 | 107.3 | |||||
| 2 | S | 38.9 | Very low | 45.3 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -100.9 | 140.9 | -173.1 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | V | 42.2 | Very low | 45.7 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -129.2 | 112 | 168.9 | -178 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | A | 45 | Very low | 45.7 | Very low | 81 Ų | 81 | 133 Ų | 133 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | -82.4 | 139.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C6 | A4-C6 PolarHBondContact O-N 3.35Š| ||
| 5 | V | 46 | Very low | 45.9 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -91.5 | 99.7 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | V7 | V5-V7 HydrophobicContact CG1-CG2 4.07Å; V5-V7 PolarHBondContact O-N 3.3Å; V5-V7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | C | 39.3 | Very low | 45.9 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | trans | -81.8 | 87.8 | 178.4 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | A4 F8 | A4-C6 PolarHBondContact O-N 3.35Å; C6-F8 PolarHBondContact O-N 3.07Å | ||
| 7 | V | 48.2 | Very low | 45.7 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | trans | -82.2 | 106.1 | 167 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | V5 V9 | V5-V7 HydrophobicContact CG1-CG2 4.07Å; V5-V7 PolarHBondContact O-N 3.3Å; V5-V7 VanDerWaalsContact O-N 3.16Å; V7-V9 HydrophobicContact CG1-CG2 4Å; V7-V9 PolarHBondContact O-N 3.31Å | ||
| 8 | F | 47.6 | Very low | 45.5 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 101.2 | 169.9 | -91.5 | -91.8 | 0 | 0 | 0 | 110.3 | C6 L10 | C6-F8 PolarHBondContact O-N 3.07Å; F8-L10 PolarHBondContact O-N 3.03Å | ||
| 9 | V | 50.2 | Low | 45.3 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 97.6 | 171.6 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | V7 T11 | V7-V9 HydrophobicContact CG1-CG2 4Å; V7-V9 PolarHBondContact O-N 3.31Å; V9-T11 HydrophobicContact CG1-CG2 3.92Å; V9-T11 PolarHBondContact O-N 3.35Å; V9-T11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | L | 46.7 | Very low | 45.3 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -80.3 | 87.6 | 172.6 | -70.9 | 174.5 | 0 | 0 | 0 | 110.3 | F8 L12 | F8-L10 PolarHBondContact O-N 3.03Å; L10-L12 HydrophobicContact CB-CD1 4.47Å; L10-L12 PolarHBondContact O-N 2.81Å | ||
| 11 | T | 48.3 | Very low | 46 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | -74.4 | 89.7 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | V9 S13 | V9-T11 HydrophobicContact CG1-CG2 3.92Å; V9-T11 PolarHBondContact O-N 3.35Å; V9-T11 VanDerWaalsContact O-N 3.16Å; T11-S13 PolarHBondContact O-N 2.81Å | ||
| 12 | L | 47.9 | Very low | 47.6 | Very low | 152 Ų | 152 | 119 Ų | 119 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | -67.9 | 100.4 | 163.1 | -81.9 | 91.7 | 0 | 0 | 0 | 108.7 | L10 T14 | L10-L12 HydrophobicContact CB-CD1 4.47Å; L10-L12 PolarHBondContact O-N 2.81Å; L12-T14 PolarHBondContact O-N 3.06Å | ||
| 13 | S | 50.9 | Low | 50 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | trans | -67.9 | 96.1 | 167.3 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | T11 L15 | T11-S13 PolarHBondContact O-N 2.81Å; S13-L15 PolarHBondContact O-N 3Å | ||
| 14 | T | 45.5 | Very low | 52.4 | Low | 117 Ų | 117 | 111 Ų | 111 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | trans | -63.5 | 101.9 | 170.7 | 49.6 | 0 | 0 | 0 | 0 | 108.8 | L12 N16 | L12-T14 PolarHBondContact O-N 3.06Å; T14-N16 PolarHBondContact O-N 3.05Å | ||
| 15 | L | 49.1 | Very low | 54.8 | Low | 157 Ų | 157 | 108.7 Ų | 108.7 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | trans | -61.5 | 106.7 | 161.3 | -108.1 | 71.7 | 0 | 0 | 0 | 106.8 | S13 G17 | S13-L15 PolarHBondContact O-N 3Å; L15-G17 PolarHBondContact O-N 3.39Å | ||
| 16 | N | 45.1 | Very low | 57.2 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 78% | 0.775 | 62% | 0.623 | S | S | * | * | trans | -68.1 | 79.2 | 157.7 | -78.6 | -0.4 | 0 | 0 | 0 | 106.9 | T14 V18 | T14-N16 PolarHBondContact O-N 3.05Å; N16-V18 PolarHBondContact O-N 3.19Å | ||
| 17 | G | 42.3 | Very low | 60 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | trans | -60.4 | 104.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | L15 V19 | L15-G17 PolarHBondContact O-N 3.39Å; G17-V19 PolarHBondContact O-N 2.89Å | ||
| 18 | V | 42.6 | Very low | 62.3 | Low | 131 Ų | 131 | 100 Ų | 100 | 79% | 0.794 | 60% | 0.601 | S | S | * | * | trans | -64.2 | 97.5 | 166.6 | 177.6 | 0 | 0 | 0 | 0 | 105.8 | N16 S20 | N16-V18 PolarHBondContact O-N 3.19Å; V18-S20 PolarHBondContact O-N 3.34Å | ||
| 19 | V | 41.1 | Very low | 64.8 | Low | 127 Ų | 127 | 92 Ų | 92 | 77% | 0.77 | 57% | 0.567 | S | S | * | * | trans | -68 | 94 | 164 | 179.7 | 0 | 0 | 0 | 0 | 105.1 | G17 G21 | G17-V19 PolarHBondContact O-N 2.89Å; V19-G21 PolarHBondContact O-N 3.47Å | ||
| 20 | S | 45.9 | Very low | 67.1 | Low | 88 Ų | 88 | 90.6 Ų | 90.6 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | trans | -59 | 94.2 | 155.8 | -80.5 | 0 | 0 | 0 | 0 | 106 | V18 V22 | V18-S20 PolarHBondContact O-N 3.34Å; S20-V22 PolarHBondContact O-N 2.81Å; S20-V22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | G | 59.6 | Low | 69.5 | Low | 50 Ų | 50 | 84.7 Ų | 84.7 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | trans | -61.5 | 114.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | V19 L23 | V19-G21 PolarHBondContact O-N 3.47Å; G21-L23 PolarHBondContact O-N 2.91Å | ||
| 22 | V | 77.1 | Confident | 71.9 | Confident | 130 Ų | 130 | 82.3 Ų | 82.3 | 79% | 0.788 | 51% | 0.507 | S | S | * | . | trans | -57.5 | 110.4 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 107.3 | S20 S24 | S20-V22 PolarHBondContact O-N 2.81Å; S20-V22 VanDerWaalsContact O-N 3.1Å; V22-S24 PolarHBondContact O-N 3.48Å; V22-S24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | L | 89.4 | Confident | 74.2 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 10% | 0.099 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 119.3 | -175.1 | 179.6 | 60.5 | 0 | 0 | 0 | 108.6 | G21 S25 L52 A96 L98 S103 | G21-L23 PolarHBondContact O-N 2.91Å; L23-S25 PolarHBondContact O-N 3.04Å; L23-L52 HydrophobicContact CD1-CD1 4.2Å; L23-A96 HydrophobicContact CD2-CB 4.06Å; L23-A96 HydrophobicContact CG-CB 4.36Å; L23-L98 HydrophobicContact CD1-CB 4.36Å; L23-L98 HydrophobicContact CD1-CD2 4.49Å; L23-L98 HydrophobicContact CD2-CB 3.93Å; L23-S103 VanDerWaalsContact O-CA 3.3Å; L23-S103 WeakPolarHBondContact O-CA 3.29Å; L23-S103 WeakPolarHBondContact O-CB 3.29Å |
| 24 | S | 93.3 | Very high | 76.4 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 135.3 | -175.1 | -59 | 0 | 0 | 0 | 0 | 110.5 | V22 P45 | V22-S24 PolarHBondContact O-N 3.48Å; V22-S24 VanDerWaalsContact O-N 3.08Å; S24-P45 WeakPolarHBondContact O-CG 3.25Å |
| 25 | S | 95.3 | Very high | 78.8 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 24% | 0.238 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 153.8 | -178.5 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | L23 A104 | L23-S25 PolarHBondContact O-N 3.04Å; S25-A104 PolarHBondContact OG-N 2.88Å; S25-A104 PolarHBondContact OG-O 2.81Å |
| 26 | P | 96.9 | Very high | 81 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.032 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 153.5 | 168.7 | -24.6 | 34.7 | 0 | 0 | 0 | 112.3 | V29 W42 Y54 V94 A96 | P26-V29 HydrophobicContact CB-CG2 4.37Å; P26-W42 HydrophobicContact CB-CB 4.12Å; P26-W42 HydrophobicContact CB-CG 4.13Å; P26-Y54 HydrophobicContact CG-CD1 4.08Å; P26-Y54 HydrophobicContact CG-CE1 4.03Å; P26-V94 HydrophobicContact CB-CG1 3.98Å; P26-V94 HydrophobicContact CG-CG1 4.02Å; P26-V94 HydrophobicContact CG-CG2 4.24Å; P26-A96 HydrophobicContact CG-CB 4.41Å |
| 27 | T | 96.9 | Very high | 83.5 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 171.6 | 179 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | V29 D43 | T27-V29 VanDerWaalsContact C-N 3.27Å; T27-V29 PolarHBondContact O-N 2.86Å; T27-V29 VanDerWaalsContact O-N 3.12Å; T27-D43 PolarHBondContact N-O 3.42Å; T27-D43 PolarHBondContact O-N 3.3Å |
| 28 | N | 97.5 | Very high | 86.2 | Confident | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.8 | 45 | 177.4 | -167.8 | 23.1 | 0 | 0 | 0 | 114 | Q30 D43 | N28-Q30 PolarHBondContact O-N 3.48Å; N28-Q30 VanDerWaalsContact O-N 3.16Å; N28-Q30 PolarHBondContact OD1-NE2 3.38Å; N28-D43 HydrophobicContact CB-CB 4.12Å; N28-D43 WeakPolarHBondContact CB-OD2 3.15Å; N28-D43 PolarHBondContact ND2-OD2 3.21Å |
| 29 | V | 98.5 | Very high | 88.8 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 107.8 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | P26 T27 L40 S41 W42 V94 V106 | P26-V29 HydrophobicContact CB-CG2 4.37Å; T27-V29 VanDerWaalsContact C-N 3.27Å; T27-V29 PolarHBondContact O-N 2.86Å; T27-V29 VanDerWaalsContact O-N 3.12Å; V29-L40 HydrophobicContact CG1-CD1 3.64Å; V29-S41 CarbonylContact C-O 3.59Å; V29-S41 WeakPolarHBondContact CA-O 3.33Å; V29-W42 HydrophobicContact CG2-CB 3.93Å; V29-V94 HydrophobicContact CG1-CG1 4.01Å; V29-V94 HydrophobicContact CG2-CG1 3.7Å; V29-V106 HydrophobicContact CB-CG1 4.02Å; V29-V106 HydrophobicContact CG2-CB 3.89Å; V29-V106 HydrophobicContact CG2-CG1 3.5Å; V29-V106 VanDerWaalsContact CG2-CG1 3.5Å |
| 30 | Q | 98.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136 | -178.5 | -56 | -60.8 | -14.2 | 0 | 0 | 110.6 | N28 T32 L40 S41 | N28-Q30 PolarHBondContact O-N 3.48Å; N28-Q30 VanDerWaalsContact O-N 3.16Å; N28-Q30 PolarHBondContact OD1-NE2 3.38Å; Q30-T32 HydrophobicContact CB-CG2 4.27Å; Q30-L40 WeakPolarHBondContact O-CA 3.41Å; Q30-S41 PolarHBondContact N-O 3.01Å; Q30-S41 PolarHBondContact O-N 2.86Å |
| 31 | L | 98.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.5 | 170 | -175 | 62.8 | 0 | 0 | 0 | 107.8 | L38 L40 L79 Y90 A92 S108 I111 | L31-L38 HydrophobicContact CD1-CD1 3.59Å; L31-L38 HydrophobicContact CD1-CD2 4.31Å; L31-L38 HydrophobicContact CD1-CG 3.82Å; L31-L38 HydrophobicContact CD2-CD1 4.24Å; L31-L38 HydrophobicContact CG-CD1 3.75Å; L31-L38 HydrophobicContact CG-CG 4.5Å; L31-L40 HydrophobicContact CB-CD1 4.33Å; L31-L40 HydrophobicContact CD1-CB 4.07Å; L31-L40 HydrophobicContact CD1-CD1 4.33Å; L31-L79 HydrophobicContact CD1-CD1 3.84Å; L31-Y90 WeakPolarHBondContact CD2-O 3.31Å; L31-A92 HydrophobicContact CD1-CB 4.17Å; L31-A92 HydrophobicContact CD2-CB 4.29Å; L31-S108 WeakPolarHBondContact CB-OG 3.44Å; L31-I111 HydrophobicContact CD2-CG2 3.72Å; L31-I111 HydrophobicContact CG-CG2 3.8Å |
| 32 | T | 98 | Very high | 95.9 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.8 | -169.7 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | Q30 L38 V39 | Q30-T32 HydrophobicContact CB-CG2 4.27Å; T32-L38 WeakPolarHBondContact O-CA 3.47Å; T32-V39 PolarHBondContact N-O 3.48Å; T32-V39 PolarHBondContact O-N 2.68Å; T32-V39 PolarHBondContact OG1-O 2.9Å |
| 33 | S | 97.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.7 | 172.2 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | N37 L113 T117 L118 | S33-N37 WeakPolarHBondContact CA-O 3.5Å; S33-L113 VanDerWaalsContact OG-CD2 3.31Å; S33-L113 WeakPolarHBondContact OG-CD2 3.33Å; S33-T117 PolarHBondContact O-OG1 3.5Å; S33-T117 WeakPolarHBondContact OG-CB 3.48Å; S33-T117 PolarHBondContact OG-OG1 2.94Å; S33-L118 PolarHBondContact O-N 2.89Å |
| 34 | R | 95.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 38 Ų | 38 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130 | 165.7 | 174.7 | 173.7 | -75.8 | -93 | 4.4 | 107.9 | L36 N37 L118 S120 E205 | R34-L36 PolarHBondContact O-N 2.9Å; R34-N37 PolarHBondContact N-O 2.98Å; R34-N37 VanDerWaalsContact O-CB 3.27Å; R34-N37 WeakPolarHBondContact O-CB 3.38Å; R34-N37 PolarHBondContact O-N 3.44Å; R34-L118 CarbonylContact C-O 3.53Å; R34-L118 WeakPolarHBondContact CA-O 3.48Å; R34-L118 HydrophobicContact CB-CB 4.28Å; R34-L118 HydrophobicContact CG-CB 4.38Å; R34-S120 WeakPolarHBondContact CD-OG 3.35Å; R34-S120 PolarHBondContact NH1-OG 2.85Å; R34-E205 IonicContact CZ-OE1 3.77Å; R34-E205 IonicContact CZ-OE2 2.68Å; R34-E205 IonicContact NH1-OE1 3.89Å; R34-E205 IonicContact NH1-OE2 3.53Å; R34-E205 PolarHBondContact NH1-OE2 2.99Å; R34-E205 VanDerWaalsContact NH2-CD 3.35Å; R34-E205 IonicContact NH2-OE1 2.65Å; R34-E205 PolarHBondContact NH2-OE1 3.36Å; R34-E205 IonicContact NH2-OE2 2.75Å; R34-E205 PolarHBondContact NH2-OE2 3.45Å |
| 35 | D | 95.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 39.6 | -178.1 | -53.5 | -48.6 | 0 | 0 | 0 | 113 | N37 T117 L118 S120 F142 K143 | D35-N37 PolarHBondContact O-N 3.44Å; D35-N37 VanDerWaalsContact O-N 3.16Å; D35-T117 PolarHBondContact N-OG1 3.24Å; D35-L118 PolarHBondContact N-O 3.18Å; D35-S120 PolarHBondContact OD1-N 2.83Å; D35-S120 WeakPolarHBondContact OD2-CB 3.32Å; D35-S120 PolarHBondContact OD2-OG 3.42Å; D35-F142 HydrophobicContact CB-CD1 3.62Å; D35-F142 HydrophobicContact CB-CE1 3.95Å; D35-F142 HydrophobicContact CB-CG 4.49Å; D35-F142 CarbonylContact O-C 3.6Å; D35-F142 VanDerWaalsContact O-CA 3.26Å; D35-F142 WeakPolarHBondContact O-CA 3.46Å; D35-F142 WeakPolarHBondContact OD1-CE1 3.47Å; D35-K143 PolarHBondContact O-N 2.62Å |
| 36 | L | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 15.3 | -172.3 | -54.9 | 175 | 0 | 0 | 0 | 115.4 | R34 L38 S80 C86 L113 T117 F142 I144 C145 V150 | R34-L36 PolarHBondContact O-N 2.9Å; L36-L38 PolarHBondContact O-N 3.39Å; L36-S80 PolarHBondContact O-OG 3.1Å; L36-C86 HydrophobicContact CD1-CB 3.8Å; L36-C86 HydrophobicContact CD2-CB 4.45Å; L36-L113 HydrophobicContact CD2-CB 4.05Å; L36-L113 WeakPolarHBondContact CD2-O 3.19Å; L36-T117 HydrophobicContact CD2-CG2 3.96Å; L36-T117 PolarHBondContact N-OG1 3.43Å; L36-F142 HydrophobicContact CD1-CB 4.25Å; L36-F142 HydrophobicContact CD1-CD2 3.45Å; L36-F142 VanDerWaalsContact CD1-CD2 3.45Å; L36-F142 HydrophobicContact CD1-CE2 4.09Å; L36-F142 HydrophobicContact CD1-CG 4.2Å; L36-F142 HydrophobicContact CG-CD2 3.71Å; L36-F142 HydrophobicContact CG-CE2 4.08Å; L36-F142 HydrophobicContact CG-CG 4.28Å; L36-I144 HydrophobicContact CB-CB 4.36Å; L36-I144 HydrophobicContact CB-CD1 4.26Å; L36-I144 HydrophobicContact CB-CG1 4.31Å; L36-I144 WeakPolarHBondContact O-CD1 3.44Å; L36-I144 WeakPolarHBondContact O-CG1 3.43Å; L36-C145 HydrophobicContact CD1-CB 4.03Å; L36-C145 WeakPolarHBondContact CD1-O 3.45Å; L36-V150 HydrophobicContact CD1-CG2 4.02Å |
| 37 | N | 97.5 | Very high | 95.9 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 97.1 | 168.3 | -161.6 | 29 | 0 | 0 | 0 | 109.9 | S33 R34 D35 V39 E78 K143 | S33-N37 WeakPolarHBondContact CA-O 3.5Å; R34-N37 PolarHBondContact N-O 2.98Å; R34-N37 VanDerWaalsContact O-CB 3.27Å; R34-N37 WeakPolarHBondContact O-CB 3.38Å; R34-N37 PolarHBondContact O-N 3.44Å; D35-N37 PolarHBondContact O-N 3.44Å; D35-N37 VanDerWaalsContact O-N 3.16Å; N37-V39 PolarHBondContact O-N 3.45Å; N37-E78 PolarHBondContact ND2-OE2 2.81Å; N37-E78 WeakPolarHBondContact OD1-CG 3.39Å; N37-E78 PolarHBondContact OD1-OE2 3.12Å; N37-K143 HydrophobicContact CB-CB 3.94Å; N37-K143 HydrophobicContact CB-CG 4.16Å; N37-K143 WeakPolarHBondContact OD1-CG 3.37Å |
| 38 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117 | 178.5 | -173.7 | 67.4 | 0 | 0 | 0 | 109.7 | L31 T32 L36 L79 S80 I84 Y90 I111 L113 | L31-L38 HydrophobicContact CD1-CD1 3.59Å; L31-L38 HydrophobicContact CD1-CD2 4.31Å; L31-L38 HydrophobicContact CD1-CG 3.82Å; L31-L38 HydrophobicContact CD2-CD1 4.24Å; L31-L38 HydrophobicContact CG-CD1 3.75Å; L31-L38 HydrophobicContact CG-CG 4.5Å; T32-L38 WeakPolarHBondContact O-CA 3.47Å; L36-L38 PolarHBondContact O-N 3.39Å; L38-L79 HydrophobicContact CB-CB 4.36Å; L38-L79 HydrophobicContact CD2-CB 4Å; L38-L79 HydrophobicContact CD2-CD1 4.18Å; L38-L79 HydrophobicContact CG-CB 4.15Å; L38-L79 HydrophobicContact CG-CD1 4.36Å; L38-L79 PolarHBondContact O-N 3.08Å; L38-S80 PolarHBondContact N-OG 2.72Å; L38-S80 PolarHBondContact O-N 3.24Å; L38-I84 HydrophobicContact CB-CD1 3.8Å; L38-I84 HydrophobicContact CD2-CD1 3.45Å; L38-I84 VanDerWaalsContact CD2-CD1 3.45Å; L38-I84 HydrophobicContact CG-CD1 4.26Å; L38-Y90 HydrophobicContact CD2-CD1 4.43Å; L38-Y90 HydrophobicContact CD2-CD2 4.21Å; L38-Y90 HydrophobicContact CD2-CG 3.9Å; L38-I111 HydrophobicContact CD1-CG2 3.57Å; L38-L113 HydrophobicContact CB-CD2 4.29Å; L38-L113 HydrophobicContact CD1-CD2 4.03Å |
| 39 | V | 98.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.2 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | T32 N37 Q76 C77 E78 | T32-V39 PolarHBondContact N-O 3.48Å; T32-V39 PolarHBondContact O-N 2.68Å; T32-V39 PolarHBondContact OG1-O 2.9Å; N37-V39 PolarHBondContact O-N 3.45Å; V39-Q76 HydrophobicContact CG1-CB 4.13Å; V39-C77 WeakPolarHBondContact CA-O 3.4Å; V39-E78 HydrophobicContact CG2-CB 4.49Å; V39-E78 HydrophobicContact CG2-CG 4.28Å |
| 40 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129.7 | 165.8 | -178.6 | 69.6 | 0 | 0 | 0 | 108.3 | V29 Q30 L31 W42 T56 Q76 C77 L79 A92 V94 | V29-L40 HydrophobicContact CG1-CD1 3.64Å; Q30-L40 WeakPolarHBondContact O-CA 3.41Å; L31-L40 HydrophobicContact CB-CD1 4.33Å; L31-L40 HydrophobicContact CD1-CB 4.07Å; L31-L40 HydrophobicContact CD1-CD1 4.33Å; L40-W42 HydrophobicContact CB-CZ3 4.42Å; L40-W42 HydrophobicContact CD2-CE3 4.27Å; L40-W42 HydrophobicContact CD2-CZ3 4.08Å; L40-W42 HydrophobicContact CG-CE3 4.01Å; L40-W42 HydrophobicContact CG-CZ3 4.01Å; L40-W42 WeakPolarHBondContact O-CZ3 3.45Å; L40-T56 HydrophobicContact CD2-CG2 3.86Å; L40-Q76 CarbonylContact O-C 3.56Å; L40-Q76 WeakPolarHBondContact O-CA 3.29Å; L40-C77 PolarHBondContact N-O 3.07Å; L40-C77 PolarHBondContact O-N 3.04Å; L40-L79 HydrophobicContact CB-CD1 3.98Å; L40-A92 HydrophobicContact CB-CB 4.46Å; L40-A92 HydrophobicContact CD1-CB 4.09Å; L40-A92 HydrophobicContact CD2-CB 3.91Å; L40-A92 HydrophobicContact CG-CB 4.38Å; L40-V94 HydrophobicContact CD2-CB 4.26Å |
| 41 | S | 98.6 | Very high | 93.5 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158.2 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | V29 Q30 F75 | V29-S41 CarbonylContact C-O 3.59Å; V29-S41 WeakPolarHBondContact CA-O 3.33Å; Q30-S41 PolarHBondContact N-O 3.01Å; Q30-S41 PolarHBondContact O-N 2.86Å; S41-F75 WeakPolarHBondContact CA-O 3.33Å |
| 42 | W | 98.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 153 | -178.7 | 57 | 91.4 | 0 | 0 | 0 | 111.1 | P26 V29 L40 Y54 T56 I72 T74 F75 C77 V94 | P26-W42 HydrophobicContact CB-CB 4.12Å; P26-W42 HydrophobicContact CB-CG 4.13Å; V29-W42 HydrophobicContact CG2-CB 3.93Å; L40-W42 HydrophobicContact CB-CZ3 4.42Å; L40-W42 HydrophobicContact CD2-CE3 4.27Å; L40-W42 HydrophobicContact CD2-CZ3 4.08Å; L40-W42 HydrophobicContact CG-CE3 4.01Å; L40-W42 HydrophobicContact CG-CZ3 4.01Å; L40-W42 WeakPolarHBondContact O-CZ3 3.45Å; W42-Y54 AromaticContact CE2-CG 3.84Å; W42-Y54 HydrophobicContact CZ2-CD1 4.46Å; W42-Y54 HydrophobicContact CZ2-CD2 4.14Å; W42-Y54 AromaticContact CZ2-CG 3.8Å; W42-Y54 HydrophobicContact CZ2-CG 3.8Å; W42-Y54 AromaticContact NE1-CD1 3.32Å; W42-Y54 VanDerWaalsContact NE1-CD1 3.32Å; W42-Y54 AromaticContact NE1-CD2 3.65Å; W42-Y54 AromaticContact NE1-CE1 3.57Å; W42-Y54 AromaticContact NE1-CE2 3.9Å; W42-Y54 AromaticContact NE1-CG 3.37Å; W42-Y54 AromaticContact NE1-CZ 3.87Å; W42-T56 HydrophobicContact CH2-CG2 3.62Å; W42-T56 HydrophobicContact CZ2-CG2 4.49Å; W42-T56 HydrophobicContact CZ3-CG2 3.73Å; W42-I72 HydrophobicContact CH2-CD1 3.84Å; W42-I72 HydrophobicContact CZ2-CD1 4.14Å; W42-T74 WeakPolarHBondContact CZ2-O 3.31Å; W42-F75 PolarHBondContact N-O 3.5Å; W42-F75 VanDerWaalsContact N-O 3.09Å; W42-F75 WeakPolarHBondContact O-CB 3.37Å; W42-C77 HydrophobicContact CH2-CB 4.14Å; W42-C77 HydrophobicContact CZ3-CB 4.17Å; W42-V94 HydrophobicContact CB-CG1 4.1Å; W42-V94 HydrophobicContact CD2-CB 4.23Å; W42-V94 HydrophobicContact CD2-CG1 3.98Å; W42-V94 HydrophobicContact CD2-CG2 3.81Å; W42-V94 HydrophobicContact CE3-CB 4.15Å; W42-V94 HydrophobicContact CE3-CG1 4.1Å; W42-V94 HydrophobicContact CE3-CG2 4.07Å; W42-V94 HydrophobicContact CG-CG1 3.98Å; W42-V94 HydrophobicContact CG-CG2 4.34Å; W42-V94 HydrophobicContact CH2-CG2 4.24Å; W42-V94 HydrophobicContact CZ2-CG2 3.96Å; W42-V94 HydrophobicContact CZ3-CG2 4.29Å |
| 43 | D | 97.6 | Very high | 93.3 | Very high | 76 Ų | 76 | 47 Ų | 47 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 146.9 | 167.2 | -74.3 | -50.3 | 0 | 0 | 0 | 110.5 | T27 N28 | T27-D43 PolarHBondContact N-O 3.42Å; T27-D43 PolarHBondContact O-N 3.3Å; N28-D43 HydrophobicContact CB-CB 4.12Å; N28-D43 WeakPolarHBondContact CB-OD2 3.15Å; N28-D43 PolarHBondContact ND2-OD2 3.21Å |
| 44 | P | 95.4 | Very high | 93.3 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 161.4 | 171.9 | 27 | -34.5 | 0 | 0 | 0 | 111.5 | A48 F75 | P44-A48 HydrophobicContact CB-CB 4.1Å; P44-F75 HydrophobicContact CB-CE1 3.91Å; P44-F75 HydrophobicContact CG-CE1 4.05Å; P44-F75 HydrophobicContact CG-CZ 4.37Å |
| 45 | P | 91.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -60 | 153.5 | 171.3 | -17.9 | 29.2 | 0 | 0 | 0 | 112.2 | S24 E47 A48 L52 | S24-P45 WeakPolarHBondContact O-CG 3.25Å; P45-E47 PolarHBondContact O-N 2.86Å; P45-A48 WeakPolarHBondContact O-CB 3.3Å; P45-A48 PolarHBondContact O-N 3.45Å; P45-L52 HydrophobicContact CG-CD2 4.04Å |
| 46 | A | 83.9 | Confident | 93.6 | Very high | 89 Ų | 89 | 42.2 Ų | 42.2 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A48 | A46-A48 PolarHBondContact O-N 3.31Š|
| 47 | E | 82.9 | Confident | 93.7 | Very high | 198 Ų | 198 | 44.5 Ų | 44.5 | 93% | 0.925 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.8 | -175.8 | -57.1 | -177.7 | -171.6 | 0 | 0 | 114.3 | P45 P49 | P45-E47 PolarHBondContact O-N 2.86Å; E47-P49 WeakPolarHBondContact O-CD 3.3Å |
| 48 | A | 82.1 | Confident | 93.7 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 121.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P44 P45 A46 L52 | P44-A48 HydrophobicContact CB-CB 4.1Å; P45-A48 WeakPolarHBondContact O-CB 3.3Å; P45-A48 PolarHBondContact O-N 3.45Å; A46-A48 PolarHBondContact O-N 3.31Å; A48-L52 HydrophobicContact CB-CD2 4.36Å |
| 49 | P | 83.7 | Confident | 93.7 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 150.7 | 174 | -26 | 33.4 | 0 | 0 | 0 | 114 | E47 G51 L52 L98 | E47-P49 WeakPolarHBondContact O-CD 3.3Å; P49-G51 PolarHBondContact O-N 2.91Å; P49-L52 HydrophobicContact CB-CD1 3.75Å; P49-L52 HydrophobicContact CG-CD1 3.95Å; P49-L52 WeakPolarHBondContact O-CD1 3.47Å; P49-L98 HydrophobicContact CB-CD2 3.83Å; P49-L98 HydrophobicContact CG-CD2 4.03Å |
| 50 | S | 85.8 | Confident | 93.6 | Very high | 119 Ų | 119 | 45.6 Ų | 45.6 | 83% | 0.832 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 128.3 | 170.1 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 51 | G | 90.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | 9.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P49 I53 | P49-G51 PolarHBondContact O-N 2.91Å; G51-I53 PolarHBondContact O-N 3.47Å |
| 52 | L | 94.3 | Very high | 93 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | trans | -56.2 | 134.9 | 166.3 | -102.6 | 66.8 | 0 | 0 | 0 | 111.2 | L23 P45 A48 P49 Y54 A96 L98 | L23-L52 HydrophobicContact CD1-CD1 4.2Å; P45-L52 HydrophobicContact CG-CD2 4.04Å; A48-L52 HydrophobicContact CB-CD2 4.36Å; P49-L52 HydrophobicContact CB-CD1 3.75Å; P49-L52 HydrophobicContact CG-CD1 3.95Å; P49-L52 WeakPolarHBondContact O-CD1 3.47Å; L52-Y54 HydrophobicContact CD2-CE1 4.45Å; L52-A96 HydrophobicContact CD2-CB 3.74Å; L52-A96 HydrophobicContact CG-CB 4.19Å; L52-L98 HydrophobicContact CD1-CB 4.19Å; L52-L98 HydrophobicContact CD1-CD1 4.26Å; L52-L98 HydrophobicContact CD1-CD2 4.1Å; L52-L98 HydrophobicContact CD1-CG 4.42Å | ||
| 53 | I | 97.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.9 | 166 | 66.6 | -174.8 | 0 | 0 | 0 | 109.1 | G51 N71 I72 T73 A96 L97 | G51-I53 PolarHBondContact O-N 3.47Å; I53-N71 HydrophobicContact CD1-CB 3.9Å; I53-I72 CarbonylContact C-O 3.57Å; I53-I72 WeakPolarHBondContact CA-O 3.34Å; I53-T73 HydrophobicContact CG2-CG2 4.02Å; I53-A96 CarbonylContact O-C 3.58Å; I53-L97 HydrophobicContact CD1-CB 4.49Å; I53-L97 HydrophobicContact CG1-CB 3.83Å; I53-L97 HydrophobicContact CG1-CD1 4.32Å; I53-L97 PolarHBondContact N-O 2.88Å; I53-L97 VanDerWaalsContact N-O 3.07Å; I53-L97 PolarHBondContact O-N 2.98Å |
| 54 | Y | 98.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.5 | -176.7 | -57 | -80.2 | 0 | 0 | 0 | 110.6 | P26 W42 L52 N71 I72 F75 V94 R95 A96 | P26-Y54 HydrophobicContact CG-CD1 4.08Å; P26-Y54 HydrophobicContact CG-CE1 4.03Å; W42-Y54 AromaticContact CE2-CG 3.84Å; W42-Y54 HydrophobicContact CZ2-CD1 4.46Å; W42-Y54 HydrophobicContact CZ2-CD2 4.14Å; W42-Y54 AromaticContact CZ2-CG 3.8Å; W42-Y54 HydrophobicContact CZ2-CG 3.8Å; W42-Y54 AromaticContact NE1-CD1 3.32Å; W42-Y54 VanDerWaalsContact NE1-CD1 3.32Å; W42-Y54 AromaticContact NE1-CD2 3.65Å; W42-Y54 AromaticContact NE1-CE1 3.57Å; W42-Y54 AromaticContact NE1-CE2 3.9Å; W42-Y54 AromaticContact NE1-CG 3.37Å; W42-Y54 AromaticContact NE1-CZ 3.87Å; L52-Y54 HydrophobicContact CD2-CE1 4.45Å; Y54-N71 WeakPolarHBondContact O-CA 3.31Å; Y54-N71 PolarHBondContact O-N 3.35Å; Y54-I72 PolarHBondContact N-O 2.96Å; Y54-I72 WeakPolarHBondContact O-CG1 3.33Å; Y54-I72 PolarHBondContact O-N 3.45Å; Y54-F75 AromaticContact CE2-CD1 3.95Å; Y54-F75 HydrophobicContact CE2-CD1 3.95Å; Y54-F75 AromaticContact CE2-CE1 3.78Å; Y54-F75 HydrophobicContact CE2-CE1 3.78Å; Y54-V94 HydrophobicContact CD1-CG2 4.19Å; Y54-R95 WeakPolarHBondContact CA-O 3.32Å; Y54-A96 HydrophobicContact CD1-CB 4.14Å; Y54-A96 HydrophobicContact CE1-CB 3.87Å |
| 55 | T | 98.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.08 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.1 | 169.1 | -69.2 | 0 | 0 | 0 | 0 | 109 | C69 V70 N71 R95 W105 | T55-C69 CarbonylContact C-O 3.54Å; T55-C69 WeakPolarHBondContact CA-O 3.38Å; T55-V70 HydrophobicContact CG2-CB 4.38Å; T55-V70 HydrophobicContact CG2-CG1 4.12Å; T55-V70 HydrophobicContact CG2-CG2 4.18Å; T55-N71 PolarHBondContact OG1-N 3.29Å; T55-N71 PolarHBondContact OG1-OD1 2.85Å; T55-R95 PolarHBondContact N-O 3.45Å; T55-R95 VanDerWaalsContact N-O 3.17Å; T55-R95 PolarHBondContact O-N 2.9Å; T55-R95 VanDerWaalsContact O-N 3.13Å; T55-W105 HydrophobicContact CG2-CH2 4.36Å; T55-W105 WeakPolarHBondContact O-CZ3 3.26Å |
| 56 | T | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.4 | -179.7 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | L40 W42 G68 C69 C77 K93 V94 | L40-T56 HydrophobicContact CD2-CG2 3.86Å; W42-T56 HydrophobicContact CH2-CG2 3.62Å; W42-T56 HydrophobicContact CZ2-CG2 4.49Å; W42-T56 HydrophobicContact CZ3-CG2 3.73Å; T56-G68 PolarHBondContact O-N 2.96Å; T56-C69 PolarHBondContact N-O 3.34Å; T56-C69 PolarHBondContact OG1-N 3.16Å; T56-C77 HydrophobicContact CG2-CB 3.98Å; T56-C77 PolarHBondContact OG1-SG 3.02Å; T56-C77 VanDerWaalsContact OG1-SG 3.38Å; T56-K93 CarbonylContact C-O 3.55Å; T56-K93 WeakPolarHBondContact CA-O 3.32Å; T56-K93 WeakPolarHBondContact CB-O 3.33Å; T56-V94 HydrophobicContact CG2-CB 4.1Å; T56-V94 HydrophobicContact CG2-CG2 3.98Å |
| 57 | E | 98.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147 | 170.4 | -85.5 | 172.6 | -146.8 | 0 | 0 | 107.8 | Y65 S66 A92 K93 W105 | E57-Y65 HydrophobicContact CB-CD1 3.98Å; E57-Y65 HydrophobicContact CB-CG 4.41Å; E57-Y65 WeakPolarHBondContact OE2-CB 3.27Å; E57-S66 CarbonylContact C-O 3.56Å; E57-S66 VanDerWaalsContact CA-O 3.29Å; E57-S66 WeakPolarHBondContact CA-O 3.27Å; E57-A92 CarbonylContact O-C 3.57Å; E57-A92 WeakPolarHBondContact O-CA 3.33Å; E57-K93 HydrophobicContact CB-CD 4.39Å; E57-K93 HydrophobicContact CB-CG 3.96Å; E57-K93 PolarHBondContact N-O 3.31Å; E57-K93 PolarHBondContact O-N 2.91Å; E57-K93 WeakPolarHBondContact OE2-CE 3.16Å; E57-K93 IonicContact OE2-NZ 2.62Å; E57-K93 PolarHBondContact OE2-NZ 3.12Å; E57-W105 HydrophobicContact CB-CH2 4.05Å; E57-W105 HydrophobicContact CB-CZ3 4.29Å; E57-W105 HydrophobicContact CG-CH2 3.76Å; E57-W105 HydrophobicContact CG-CZ2 4.23Å; E57-W105 HydrophobicContact CG-CZ3 4.47Å; E57-W105 WeakPolarHBondContact OE1-CH2 3.49Å; E57-W105 WeakPolarHBondContact OE1-CZ2 3.36Å |
| 58 | F | 98.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 158.2 | 179.4 | 75.3 | -81.5 | 0 | 0 | 0 | 111.4 | S66 P67 L79 F82 I84 Y90 I91 A92 | F58-S66 PolarHBondContact N-O 2.93Å; F58-S66 PolarHBondContact O-N 2.93Å; F58-P67 WeakPolarHBondContact CE1-O 3.03Å; F58-L79 HydrophobicContact CB-CD1 3.92Å; F58-L79 HydrophobicContact CB-CD2 4.11Å; F58-L79 HydrophobicContact CD1-CD2 3.78Å; F58-L79 HydrophobicContact CG-CD1 4.44Å; F58-L79 HydrophobicContact CG-CD2 4.06Å; F58-F82 HydrophobicContact CE1-CB 3.62Å; F58-F82 HydrophobicContact CE1-CD1 4.26Å; F58-F82 AromaticContact CE1-CG 3.93Å; F58-F82 HydrophobicContact CE1-CG 3.93Å; F58-F82 HydrophobicContact CZ-CB 3.52Å; F58-F82 HydrophobicContact CZ-CG 4.34Å; F58-I84 HydrophobicContact CD2-CG2 4.32Å; F58-I84 HydrophobicContact CE2-CG2 3.49Å; F58-I84 VanDerWaalsContact CE2-CG2 3.49Å; F58-I84 HydrophobicContact CZ-CG2 3.98Å; F58-Y90 HydrophobicContact CD2-CD1 4.35Å; F58-I91 WeakPolarHBondContact CA-O 3.38Å; F58-A92 HydrophobicContact CB-CB 3.73Å |
| 59 | R | 97.2 | Very high | 95.2 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 159.3 | 174.6 | 65.6 | -178.6 | -178.8 | 87.6 | -2.2 | 111.5 | D64 Y65 Y90 I91 | R59-D64 WeakPolarHBondContact CB-O 3.49Å; R59-Y65 HydrophobicContact CB-CD1 3.95Å; R59-Y65 HydrophobicContact CB-CE1 4.13Å; R59-Y65 HydrophobicContact CB-CG 4.42Å; R59-Y65 HydrophobicContact CG-CD1 3.9Å; R59-Y65 HydrophobicContact CG-CE1 3.56Å; R59-Y65 HydrophobicContact CG-CE2 4.49Å; R59-Y65 HydrophobicContact CG-CG 4.44Å; R59-Y65 VanDerWaalsContact NE-CZ 3.33Å; R59-Y65 PolarHBondContact NE-OH 2.89Å; R59-Y90 WeakPolarHBondContact O-CA 3.4Å; R59-Y90 WeakPolarHBondContact O-CD1 3.43Å; R59-I91 HydrophobicContact CG-CB 4.49Å; R59-I91 PolarHBondContact N-O 3.26Å; R59-I91 PolarHBondContact O-N 3.45Å |
| 60 | S | 96.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 175.6 | 158.1 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | V62 T63 T89 | S60-V62 PolarHBondContact O-N 3.49Å; S60-V62 WeakPolarHBondContact OG-CG2 3.49Å; S60-V62 PolarHBondContact OG-N 3.22Å; S60-V62 VanDerWaalsContact OG-N 3.11Å; S60-T63 PolarHBondContact N-OG1 3.47Å; S60-T63 WeakPolarHBondContact OG-CG2 3.26Å; S60-T63 PolarHBondContact OG-N 3.29Å; S60-T63 VanDerWaalsContact OG-N 3.17Å; S60-T63 PolarHBondContact OG-OG1 3.43Å; S60-T89 CarbonylContact C-O 3.48Å; S60-T89 WeakPolarHBondContact CA-O 3.36Å |
| 61 | L | 93.5 | Very high | 96.4 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9.6 | 167.7 | -66.9 | -177.2 | 0 | 0 | 0 | 114.4 | T89 I91 | L61-T89 HydrophobicContact CD1-CG2 3.69Å; L61-T89 HydrophobicContact CG-CG2 4.03Å; L61-T89 PolarHBondContact N-O 2.92Å; L61-I91 HydrophobicContact CD2-CD1 3.89Å |
| 62 | V | 92.1 | Very high | 96.7 | Very high | 137 Ų | 137 | 52.3 Ų | 52.3 | 83% | 0.83 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 12.5 | -177.7 | -59.9 | 0 | 0 | 0 | 0 | 113.8 | S60 | S60-V62 PolarHBondContact O-N 3.49Å; S60-V62 WeakPolarHBondContact OG-CG2 3.49Å; S60-V62 PolarHBondContact OG-N 3.22Å; S60-V62 VanDerWaalsContact OG-N 3.11Å |
| 63 | T | 93.6 | Very high | 96.8 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -135.6 | 157.3 | 178.5 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | S60 | S60-T63 PolarHBondContact N-OG1 3.47Å; S60-T63 WeakPolarHBondContact OG-CG2 3.26Å; S60-T63 PolarHBondContact OG-N 3.29Å; S60-T63 VanDerWaalsContact OG-N 3.17Å; S60-T63 PolarHBondContact OG-OG1 3.43Å |
| 64 | D | 96.1 | Very high | 96.8 | Very high | 143 Ų | 143 | 57.7 Ų | 57.7 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | trans | -69.5 | 171.3 | 166.3 | -66.9 | -60.5 | 0 | 0 | 0 | 112.3 | R59 S66 | R59-D64 WeakPolarHBondContact CB-O 3.49Å; D64-S66 PolarHBondContact O-N 3.46Å | ||
| 65 | Y | 97.3 | Very high | 96.8 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | trans | -66 | 127.1 | 174 | -82.8 | -64.7 | 0 | 0 | 0 | 112.1 | E57 R59 K93 E107 | E57-Y65 HydrophobicContact CB-CD1 3.98Å; E57-Y65 HydrophobicContact CB-CG 4.41Å; E57-Y65 WeakPolarHBondContact OE2-CB 3.27Å; R59-Y65 HydrophobicContact CB-CD1 3.95Å; R59-Y65 HydrophobicContact CB-CE1 4.13Å; R59-Y65 HydrophobicContact CB-CG 4.42Å; R59-Y65 HydrophobicContact CG-CD1 3.9Å; R59-Y65 HydrophobicContact CG-CE1 3.56Å; R59-Y65 HydrophobicContact CG-CE2 4.49Å; R59-Y65 HydrophobicContact CG-CG 4.44Å; R59-Y65 VanDerWaalsContact NE-CZ 3.33Å; R59-Y65 PolarHBondContact NE-OH 2.89Å; Y65-K93 HydrophobicContact CD1-CD 4.23Å; Y65-K93 HydrophobicContact CD1-CG 4.41Å; Y65-K93 HydrophobicContact CD2-CD 4.42Å; Y65-K93 HydrophobicContact CE1-CD 3.89Å; Y65-K93 HydrophobicContact CE1-CG 4Å; Y65-K93 HydrophobicContact CE2-CD 4.04Å; Y65-E107 WeakPolarHBondContact CE2-OE1 3.5Å; Y65-E107 VanDerWaalsContact CZ-OE1 3.31Å; Y65-E107 VanDerWaalsContact OH-CD 3.24Å; Y65-E107 PolarHBondContact OH-OE1 3.08Å | ||
| 66 | S | 96.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.5 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 110 | E57 F58 D64 G68 | E57-S66 CarbonylContact C-O 3.56Å; E57-S66 VanDerWaalsContact CA-O 3.29Å; E57-S66 WeakPolarHBondContact CA-O 3.27Å; F58-S66 PolarHBondContact N-O 2.93Å; F58-S66 PolarHBondContact O-N 2.93Å; D64-S66 PolarHBondContact O-N 3.46Å; S66-G68 PolarHBondContact O-N 2.74Å |
| 67 | P | 97.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 132.9 | 177.3 | -22.3 | 33.6 | 0 | 0 | 0 | 112.1 | F58 V70 F82 | F58-P67 WeakPolarHBondContact CE1-O 3.03Å; P67-V70 HydrophobicContact CB-CG2 4.47Å; P67-F82 WeakPolarHBondContact O-CD1 3.2Å |
| 68 | G | 97.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | trans | -96.7 | -129.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T56 S66 F82 | T56-G68 PolarHBondContact O-N 2.96Å; S66-G68 PolarHBondContact O-N 2.74Å; G68-F82 VanDerWaalsContact C-CE1 3.5Å; G68-F82 VanDerWaalsContact O-CE1 3.22Å; G68-F82 WeakPolarHBondContact O-CE1 3.33Å; G68-F82 VanDerWaalsContact O-CZ 3.27Å; G68-F82 WeakPolarHBondContact O-CZ 3.31Å | ||
| 69 | C | 98.4 | Very high | 96.7 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -74.3 | 131.4 | 175.2 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | T55 T56 I72 C77 | T55-C69 CarbonylContact C-O 3.54Å; T55-C69 WeakPolarHBondContact CA-O 3.38Å; T56-C69 PolarHBondContact N-O 3.34Å; T56-C69 PolarHBondContact OG1-N 3.16Å; C69-I72 HydrophobicContact CB-CD1 3.48Å; C69-I72 VanDerWaalsContact CB-CD1 3.48Å; C69-I72 HydrophobicContact CB-CG1 3.98Å; C69-I72 HydrophobicContact CB-CG2 4.12Å; C69-C77 HydrophobicContact CB-CB 3.75Å; C69-C77 WeakPolarHBondContact CB-SG 3.21Å; C69-C77 PolarHBondContact N-SG 2.89Å; C69-C77 WeakPolarHBondContact SG-CA 3.4Å; C69-C77 WeakPolarHBondContact SG-CB 3.18Å; C69-C77 CovalentContact SG-SG 2.03Å; C69-C77 PolarHBondContact SG-SG 2.9Å |
| 70 | V | 97.5 | Very high | 96.7 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 47% | 0.473 | 36% | 0.363 | S | S | . | . | trans | -117.8 | 137.7 | -176.9 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | T55 P67 I72 | T55-V70 HydrophobicContact CG2-CB 4.38Å; T55-V70 HydrophobicContact CG2-CG1 4.12Å; T55-V70 HydrophobicContact CG2-CG2 4.18Å; P67-V70 HydrophobicContact CB-CG2 4.47Å; V70-I72 VanDerWaalsContact C-N 3.31Å; V70-I72 PolarHBondContact O-N 3.39Å | ||
| 71 | N | 96.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 54.2 | 38.9 | 175.7 | -63.9 | -12.9 | 0 | 0 | 0 | 115 | I53 Y54 T55 | I53-N71 HydrophobicContact CD1-CB 3.9Å; Y54-N71 WeakPolarHBondContact O-CA 3.31Å; Y54-N71 PolarHBondContact O-N 3.35Å; T55-N71 PolarHBondContact OG1-N 3.29Å; T55-N71 PolarHBondContact OG1-OD1 2.85Å |
| 72 | I | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 146.8 | 179.4 | 50.9 | 161.1 | 0 | 0 | 0 | 112.3 | W42 I53 Y54 C69 V70 Q76 C77 | W42-I72 HydrophobicContact CH2-CD1 3.84Å; W42-I72 HydrophobicContact CZ2-CD1 4.14Å; I53-I72 CarbonylContact C-O 3.57Å; I53-I72 WeakPolarHBondContact CA-O 3.34Å; Y54-I72 PolarHBondContact N-O 2.96Å; Y54-I72 WeakPolarHBondContact O-CG1 3.33Å; Y54-I72 PolarHBondContact O-N 3.45Å; C69-I72 HydrophobicContact CB-CD1 3.48Å; C69-I72 VanDerWaalsContact CB-CD1 3.48Å; C69-I72 HydrophobicContact CB-CG1 3.98Å; C69-I72 HydrophobicContact CB-CG2 4.12Å; V70-I72 VanDerWaalsContact C-N 3.31Å; V70-I72 PolarHBondContact O-N 3.39Å; I72-Q76 WeakPolarHBondContact CD1-O 3.48Å; I72-C77 HydrophobicContact CD1-CB 4.37Å |
| 73 | T | 96.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | trans | -93 | -5.8 | 172.4 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | I53 | I53-T73 HydrophobicContact CG2-CG2 4.02Š| ||
| 74 | T | 96.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -80.1 | 148.8 | 178.2 | 49.5 | 0 | 0 | 0 | 0 | 112 | W42 Q76 | W42-T74 WeakPolarHBondContact CZ2-O 3.31Å; T74-Q76 PolarHBondContact O-N 3.28Å; T74-Q76 PolarHBondContact OG1-O 3.48Å |
| 75 | F | 97.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 62.7 Ų | 62.7 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -84.9 | 17.1 | 179.4 | -56.4 | -59.7 | 0 | 0 | 0 | 114.1 | S41 W42 P44 Y54 | S41-F75 WeakPolarHBondContact CA-O 3.33Å; W42-F75 PolarHBondContact N-O 3.5Å; W42-F75 VanDerWaalsContact N-O 3.09Å; W42-F75 WeakPolarHBondContact O-CB 3.37Å; P44-F75 HydrophobicContact CB-CE1 3.91Å; P44-F75 HydrophobicContact CG-CE1 4.05Å; P44-F75 HydrophobicContact CG-CZ 4.37Å; Y54-F75 AromaticContact CE2-CD1 3.95Å; Y54-F75 HydrophobicContact CE2-CD1 3.95Å; Y54-F75 AromaticContact CE2-CE1 3.78Å; Y54-F75 HydrophobicContact CE2-CE1 3.78Å |
| 76 | Q | 98.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.9 | 179.1 | 65.4 | -178.6 | 59.4 | 0 | 0 | 111.7 | V39 L40 I72 T74 | V39-Q76 HydrophobicContact CG1-CB 4.13Å; L40-Q76 CarbonylContact O-C 3.56Å; L40-Q76 WeakPolarHBondContact O-CA 3.29Å; I72-Q76 WeakPolarHBondContact CD1-O 3.48Å; T74-Q76 PolarHBondContact O-N 3.28Å; T74-Q76 PolarHBondContact OG1-O 3.48Å |
| 77 | C | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 125.6 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | V39 L40 W42 T56 C69 I72 L79 | V39-C77 WeakPolarHBondContact CA-O 3.4Å; L40-C77 PolarHBondContact N-O 3.07Å; L40-C77 PolarHBondContact O-N 3.04Å; W42-C77 HydrophobicContact CH2-CB 4.14Å; W42-C77 HydrophobicContact CZ3-CB 4.17Å; T56-C77 HydrophobicContact CG2-CB 3.98Å; T56-C77 PolarHBondContact OG1-SG 3.02Å; T56-C77 VanDerWaalsContact OG1-SG 3.38Å; C69-C77 HydrophobicContact CB-CB 3.75Å; C69-C77 WeakPolarHBondContact CB-SG 3.21Å; C69-C77 PolarHBondContact N-SG 2.89Å; C69-C77 WeakPolarHBondContact SG-CA 3.4Å; C69-C77 WeakPolarHBondContact SG-CB 3.18Å; C69-C77 CovalentContact SG-SG 2.03Å; C69-C77 PolarHBondContact SG-SG 2.9Å; I72-C77 HydrophobicContact CD1-CB 4.37Å; C77-L79 PolarHBondContact O-N 3.26Å |
| 78 | E | 98.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 60 Ų | 60 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 98.4 | 178.1 | -172.7 | 176.4 | 99.7 | 0 | 0 | 110.6 | N37 V39 N81 K143 | N37-E78 PolarHBondContact ND2-OE2 2.81Å; N37-E78 WeakPolarHBondContact OD1-CG 3.39Å; N37-E78 PolarHBondContact OD1-OE2 3.12Å; V39-E78 HydrophobicContact CG2-CB 4.49Å; V39-E78 HydrophobicContact CG2-CG 4.28Å; E78-N81 WeakPolarHBondContact CB-ND2 3.33Å; E78-N81 WeakPolarHBondContact CG-ND2 3.48Å; E78-N81 PolarHBondContact O-ND2 2.88Å; E78-N81 VanDerWaalsContact O-ND2 3.17Å; E78-N81 PolarHBondContact OE1-ND2 3.21Å; E78-N81 PolarHBondContact OE1-OD1 3.39Å; E78-K143 IonicContact OE1-NZ 3.59Å; E78-K143 PolarHBondContact OE1-NZ 2.9Å |
| 79 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -77.5 | -22.2 | -171 | -64.9 | 174.8 | 0 | 0 | 0 | 113.4 | L31 L38 L40 F58 C77 N81 F82 A92 | L31-L79 HydrophobicContact CD1-CD1 3.84Å; L38-L79 HydrophobicContact CB-CB 4.36Å; L38-L79 HydrophobicContact CD2-CB 4Å; L38-L79 HydrophobicContact CD2-CD1 4.18Å; L38-L79 HydrophobicContact CG-CB 4.15Å; L38-L79 HydrophobicContact CG-CD1 4.36Å; L38-L79 PolarHBondContact O-N 3.08Å; L40-L79 HydrophobicContact CB-CD1 3.98Å; F58-L79 HydrophobicContact CB-CD1 3.92Å; F58-L79 HydrophobicContact CB-CD2 4.11Å; F58-L79 HydrophobicContact CD1-CD2 3.78Å; F58-L79 HydrophobicContact CG-CD1 4.44Å; F58-L79 HydrophobicContact CG-CD2 4.06Å; C77-L79 PolarHBondContact O-N 3.26Å; L79-N81 PolarHBondContact O-N 3.22Å; L79-N81 VanDerWaalsContact O-N 3.09Å; L79-F82 PolarHBondContact O-N 2.95Å; L79-A92 HydrophobicContact CD1-CB 3.58Å |
| 80 | S | 96.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -61.3 | -17.6 | 175.2 | -66.7 | 0 | 0 | 0 | 0 | 113.9 | L36 L38 F82 | L36-S80 PolarHBondContact O-OG 3.1Å; L38-S80 PolarHBondContact N-OG 2.72Å; L38-S80 PolarHBondContact O-N 3.24Å; S80-F82 PolarHBondContact O-N 3.37Å |
| 81 | N | 95.4 | Very high | 96.2 | Very high | 98 Ų | 98 | 57.8 Ų | 57.8 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -72.4 | -11.1 | 173.9 | -61.6 | -55.6 | 0 | 0 | 0 | 113.7 | E78 L79 N83 K143 | E78-N81 WeakPolarHBondContact CB-ND2 3.33Å; E78-N81 WeakPolarHBondContact CG-ND2 3.48Å; E78-N81 PolarHBondContact O-ND2 2.88Å; E78-N81 VanDerWaalsContact O-ND2 3.17Å; E78-N81 PolarHBondContact OE1-ND2 3.21Å; E78-N81 PolarHBondContact OE1-OD1 3.39Å; L79-N81 PolarHBondContact O-N 3.22Å; L79-N81 VanDerWaalsContact O-N 3.09Å; N81-N83 VanDerWaalsContact C-N 3.34Å; N81-N83 PolarHBondContact O-N 2.73Å; N81-K143 WeakPolarHBondContact OD1-CE 3.32Å; N81-K143 PolarHBondContact OD1-NZ 2.62Å |
| 82 | F | 94.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -96.5 | 26.6 | -177.1 | -62.7 | -99.6 | 0 | 0 | 0 | 113 | F58 P67 G68 L79 S80 | F58-F82 HydrophobicContact CE1-CB 3.62Å; F58-F82 HydrophobicContact CE1-CD1 4.26Å; F58-F82 AromaticContact CE1-CG 3.93Å; F58-F82 HydrophobicContact CE1-CG 3.93Å; F58-F82 HydrophobicContact CZ-CB 3.52Å; F58-F82 HydrophobicContact CZ-CG 4.34Å; P67-F82 WeakPolarHBondContact O-CD1 3.2Å; G68-F82 VanDerWaalsContact C-CE1 3.5Å; G68-F82 VanDerWaalsContact O-CE1 3.22Å; G68-F82 WeakPolarHBondContact O-CE1 3.33Å; G68-F82 VanDerWaalsContact O-CZ 3.27Å; G68-F82 WeakPolarHBondContact O-CZ 3.31Å; L79-F82 PolarHBondContact O-N 2.95Å; S80-F82 PolarHBondContact O-N 3.37Å |
| 83 | N | 89.9 | Confident | 96.4 | Very high | 158 Ų | 158 | 52.4 Ų | 52.4 | 85% | 0.845 | 27% | 0.271 | S | S | * | . | trans | 54.7 | 65.3 | 175.9 | -172.2 | 39.9 | 0 | 0 | 0 | 114.1 | N81 | N81-N83 VanDerWaalsContact C-N 3.34Å; N81-N83 PolarHBondContact O-N 2.73Å | ||
| 84 | I | 94.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | trans | -101.3 | 156.7 | -178.2 | 76.4 | -177.5 | 0 | 0 | 0 | 111.7 | L38 F58 Y90 L113 I144 | L38-I84 HydrophobicContact CB-CD1 3.8Å; L38-I84 HydrophobicContact CD2-CD1 3.45Å; L38-I84 VanDerWaalsContact CD2-CD1 3.45Å; L38-I84 HydrophobicContact CG-CD1 4.26Å; F58-I84 HydrophobicContact CD2-CG2 4.32Å; F58-I84 HydrophobicContact CE2-CG2 3.49Å; F58-I84 VanDerWaalsContact CE2-CG2 3.49Å; F58-I84 HydrophobicContact CZ-CG2 3.98Å; I84-Y90 HydrophobicContact CB-CE1 4.04Å; I84-Y90 HydrophobicContact CB-CE2 4.47Å; I84-Y90 HydrophobicContact CD1-CE2 4.42Å; I84-Y90 HydrophobicContact CG2-CE1 4.33Å; I84-L113 HydrophobicContact CD1-CD1 3.94Å; I84-L113 HydrophobicContact CG1-CD1 4.34Å; I84-I144 HydrophobicContact CD1-CD1 3.93Å; I84-I144 HydrophobicContact CG1-CD1 3.48Å; I84-I144 VanDerWaalsContact CG1-CD1 3.48Å; I84-I144 VanDerWaalsContact O-CG2 3.28Å; I84-I144 WeakPolarHBondContact O-CG2 3.44Å | ||
| 85 | S | 94.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | trans | -84.4 | 135.7 | 179.4 | 178 | 0 | 0 | 0 | 0 | 111.5 | Y87 G88 Y90 | S85-Y87 PolarHBondContact O-N 2.79Å; S85-Y87 PolarHBondContact OG-N 3.04Å; S85-G88 PolarHBondContact O-N 2.64Å; S85-Y90 PolarHBondContact N-OH 3.14Å; S85-Y90 WeakPolarHBondContact O-CE2 3.14Å; S85-Y90 PolarHBondContact O-OH 2.64Å | ||
| 86 | C | 94.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.1 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 115 | L36 L113 D114 I144 C145 V150 | L36-C86 HydrophobicContact CD1-CB 3.8Å; L36-C86 HydrophobicContact CD2-CB 4.45Å; C86-L113 WeakPolarHBondContact O-CB 3.25Å; C86-D114 PolarHBondContact O-N 2.64Å; C86-I144 HydrophobicContact CB-CB 4.49Å; C86-I144 HydrophobicContact CB-CG2 4.19Å; C86-C145 HydrophobicContact CB-CB 3.65Å; C86-C145 WeakPolarHBondContact CB-SG 3.38Å; C86-C145 WeakPolarHBondContact SG-CB 3.45Å; C86-C145 CovalentContact SG-SG 2.04Å; C86-C145 PolarHBondContact SG-SG 2.78Å; C86-V150 HydrophobicContact CB-CG2 4.14Å |
| 87 | Y | 94.6 | Very high | 96.4 | Very high | 127 Ų | 127 | 37.9 Ų | 37.9 | 50% | 0.498 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 22.3 | 176.2 | -52.8 | -72.3 | 0 | 0 | 0 | 112.8 | S85 D114 N149 V150 | S85-Y87 PolarHBondContact O-N 2.79Å; S85-Y87 PolarHBondContact OG-N 3.04Å; Y87-D114 HydrophobicContact CD1-CB 4.13Å; Y87-N149 PolarHBondContact OH-O 2.96Å; Y87-V150 HydrophobicContact CE1-CB 4.47Å; Y87-V150 HydrophobicContact CE1-CG1 4.15Å; Y87-V150 HydrophobicContact CE1-CG2 4.31Å |
| 88 | G | 94.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | -98.9 | 142.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S85 Y90 L113 | S85-G88 PolarHBondContact O-N 2.64Å; G88-Y90 VanDerWaalsContact CA-CE2 3.47Å; G88-Y90 VanDerWaalsContact O-CD2 3.25Å; G88-Y90 WeakPolarHBondContact O-CD2 3.47Å; G88-Y90 WeakPolarHBondContact O-CE2 3.32Å; G88-L113 PolarHBondContact O-N 2.91Å; G88-L113 VanDerWaalsContact O-N 3.14Å | ||
| 89 | T | 97.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 123 | 159.4 | -41.7 | 0 | 0 | 0 | 0 | 108.9 | S60 L61 D110 I111 M112 | S60-T89 CarbonylContact C-O 3.48Å; S60-T89 WeakPolarHBondContact CA-O 3.36Å; L61-T89 HydrophobicContact CD1-CG2 3.69Å; L61-T89 HydrophobicContact CG-CG2 4.03Å; L61-T89 PolarHBondContact N-O 2.92Å; T89-D110 HydrophobicContact CG2-CB 4.05Å; T89-I111 CarbonylContact C-O 3.48Å; T89-I111 VanDerWaalsContact CA-O 3.31Å; T89-I111 WeakPolarHBondContact CA-O 3.05Å; T89-M112 HydrophobicContact CG2-CB 4.25Å; T89-M112 WeakPolarHBondContact OG1-CG 3.38Å; T89-M112 PolarHBondContact OG1-SD 2.87Å; T89-M112 VanDerWaalsContact OG1-SD 3.35Å |
| 90 | Y | 98.2 | Very high | 95.4 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.3 | -173.1 | -70.9 | -82.5 | 0 | 0 | 0 | 112.9 | L31 L38 F58 R59 I84 S85 G88 D110 I111 L113 | L31-Y90 WeakPolarHBondContact CD2-O 3.31Å; L38-Y90 HydrophobicContact CD2-CD1 4.43Å; L38-Y90 HydrophobicContact CD2-CD2 4.21Å; L38-Y90 HydrophobicContact CD2-CG 3.9Å; F58-Y90 HydrophobicContact CD2-CD1 4.35Å; R59-Y90 WeakPolarHBondContact O-CA 3.4Å; R59-Y90 WeakPolarHBondContact O-CD1 3.43Å; I84-Y90 HydrophobicContact CB-CE1 4.04Å; I84-Y90 HydrophobicContact CB-CE2 4.47Å; I84-Y90 HydrophobicContact CD1-CE2 4.42Å; I84-Y90 HydrophobicContact CG2-CE1 4.33Å; S85-Y90 PolarHBondContact N-OH 3.14Å; S85-Y90 WeakPolarHBondContact O-CE2 3.14Å; S85-Y90 PolarHBondContact O-OH 2.64Å; G88-Y90 VanDerWaalsContact CA-CE2 3.47Å; G88-Y90 VanDerWaalsContact O-CD2 3.25Å; G88-Y90 WeakPolarHBondContact O-CD2 3.47Å; G88-Y90 WeakPolarHBondContact O-CE2 3.32Å; Y90-D110 VanDerWaalsContact O-CA 3.25Å; Y90-D110 WeakPolarHBondContact O-CA 3.5Å; Y90-I111 PolarHBondContact N-O 2.94Å; Y90-I111 PolarHBondContact O-N 3.01Å; Y90-L113 HydrophobicContact CD2-CD1 3.85Å; Y90-L113 HydrophobicContact CD2-CG 4.04Å; Y90-L113 HydrophobicContact CE2-CD1 3.7Å; Y90-L113 HydrophobicContact CE2-CG 4.28Å |
| 91 | I | 98.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.4 | 167.7 | -65.6 | 162.7 | 0 | 0 | 0 | 107.1 | F58 R59 L61 E107 D110 | F58-I91 WeakPolarHBondContact CA-O 3.38Å; R59-I91 HydrophobicContact CG-CB 4.49Å; R59-I91 PolarHBondContact N-O 3.26Å; R59-I91 PolarHBondContact O-N 3.45Å; L61-I91 HydrophobicContact CD2-CD1 3.89Å; I91-E107 HydrophobicContact CG2-CB 4.47Å; I91-E107 HydrophobicContact CG2-CG 4.48Å; I91-D110 HydrophobicContact CD1-CB 4.11Å; I91-D110 HydrophobicContact CG1-CB 3.58Å |
| 92 | A | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L31 L40 E57 F58 L79 S108 | L31-A92 HydrophobicContact CD1-CB 4.17Å; L31-A92 HydrophobicContact CD2-CB 4.29Å; L40-A92 HydrophobicContact CB-CB 4.46Å; L40-A92 HydrophobicContact CD1-CB 4.09Å; L40-A92 HydrophobicContact CD2-CB 3.91Å; L40-A92 HydrophobicContact CG-CB 4.38Å; E57-A92 CarbonylContact O-C 3.57Å; E57-A92 WeakPolarHBondContact O-CA 3.33Å; F58-A92 HydrophobicContact CB-CB 3.73Å; L79-A92 HydrophobicContact CD1-CB 3.58Å; A92-S108 PolarHBondContact N-OG 2.04Å; A92-S108 VanDerWaalsContact N-OG 3.17Å; A92-S108 WeakPolarHBondContact O-CB 3.42Å; A92-S108 PolarHBondContact O-N 2.96Å; A92-S108 PolarHBondContact O-OG 2.84Å; A92-S108 VanDerWaalsContact O-OG 3.1Å |
| 93 | K | 98.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 154.7 | -176.3 | 59.8 | -178.3 | -174.5 | -172.2 | 0 | 111.5 | T56 E57 Y65 W105 V106 E107 | T56-K93 CarbonylContact C-O 3.55Å; T56-K93 WeakPolarHBondContact CA-O 3.32Å; T56-K93 WeakPolarHBondContact CB-O 3.33Å; E57-K93 HydrophobicContact CB-CD 4.39Å; E57-K93 HydrophobicContact CB-CG 3.96Å; E57-K93 PolarHBondContact N-O 3.31Å; E57-K93 PolarHBondContact O-N 2.91Å; E57-K93 WeakPolarHBondContact OE2-CE 3.16Å; E57-K93 IonicContact OE2-NZ 2.62Å; E57-K93 PolarHBondContact OE2-NZ 3.12Å; Y65-K93 HydrophobicContact CD1-CD 4.23Å; Y65-K93 HydrophobicContact CD1-CG 4.41Å; Y65-K93 HydrophobicContact CD2-CD 4.42Å; Y65-K93 HydrophobicContact CE1-CD 3.89Å; Y65-K93 HydrophobicContact CE1-CG 4Å; Y65-K93 HydrophobicContact CE2-CD 4.04Å; K93-W105 HydrophobicContact CB-CE3 4.03Å; K93-W105 HydrophobicContact CD-CB 4.24Å; K93-W105 HydrophobicContact CD-CD2 3.87Å; K93-W105 HydrophobicContact CD-CE3 3.79Å; K93-W105 HydrophobicContact CD-CG 4.1Å; K93-W105 HydrophobicContact CD-CZ3 4.35Å; K93-W105 HydrophobicContact CG-CD2 4.2Å; K93-W105 HydrophobicContact CG-CE3 3.58Å; K93-W105 HydrophobicContact CG-CZ3 3.9Å; K93-V106 CarbonylContact C-O 3.54Å; K93-V106 WeakPolarHBondContact CA-O 3.27Å; K93-V106 VanDerWaalsContact CB-O 3.29Å; K93-V106 WeakPolarHBondContact CB-O 3.45Å; K93-E107 HydrophobicContact CB-CB 4.42Å; K93-E107 HydrophobicContact CB-CG 3.74Å; K93-E107 HydrophobicContact CD-CG 4.26Å |
| 94 | V | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.6 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | P26 V29 L40 W42 Y54 T56 W105 V106 | P26-V94 HydrophobicContact CB-CG1 3.98Å; P26-V94 HydrophobicContact CG-CG1 4.02Å; P26-V94 HydrophobicContact CG-CG2 4.24Å; V29-V94 HydrophobicContact CG1-CG1 4.01Å; V29-V94 HydrophobicContact CG2-CG1 3.7Å; L40-V94 HydrophobicContact CD2-CB 4.26Å; W42-V94 HydrophobicContact CB-CG1 4.1Å; W42-V94 HydrophobicContact CD2-CB 4.23Å; W42-V94 HydrophobicContact CD2-CG1 3.98Å; W42-V94 HydrophobicContact CD2-CG2 3.81Å; W42-V94 HydrophobicContact CE3-CB 4.15Å; W42-V94 HydrophobicContact CE3-CG1 4.1Å; W42-V94 HydrophobicContact CE3-CG2 4.07Å; W42-V94 HydrophobicContact CG-CG1 3.98Å; W42-V94 HydrophobicContact CG-CG2 4.34Å; W42-V94 HydrophobicContact CH2-CG2 4.24Å; W42-V94 HydrophobicContact CZ2-CG2 3.96Å; W42-V94 HydrophobicContact CZ3-CG2 4.29Å; Y54-V94 HydrophobicContact CD1-CG2 4.19Å; T56-V94 HydrophobicContact CG2-CB 4.1Å; T56-V94 HydrophobicContact CG2-CG2 3.98Å; V94-W105 VanDerWaalsContact C-CE3 3.49Å; V94-V106 PolarHBondContact N-O 3.48Å; V94-V106 PolarHBondContact O-N 3.19Å |
| 95 | R | 97.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 47 Ų | 47 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.5 | 164.7 | 60.9 | 178 | 170.5 | 152.5 | 0.6 | 110.6 | Y54 T55 L97 S103 W105 | Y54-R95 WeakPolarHBondContact CA-O 3.32Å; T55-R95 PolarHBondContact N-O 3.45Å; T55-R95 VanDerWaalsContact N-O 3.17Å; T55-R95 PolarHBondContact O-N 2.9Å; T55-R95 VanDerWaalsContact O-N 3.13Å; R95-L97 HydrophobicContact CG-CD2 4.29Å; R95-S103 WeakPolarHBondContact CA-OG 3.12Å; R95-S103 WeakPolarHBondContact CB-OG 3.44Å; R95-W105 HydrophobicContact CB-CD2 4.13Å; R95-W105 HydrophobicContact CB-CE3 3.93Å; R95-W105 HydrophobicContact CB-CZ3 4.36Å; R95-W105 HydrophobicContact CG-CD2 3.98Å; R95-W105 HydrophobicContact CG-CE3 3.8Å; R95-W105 HydrophobicContact CG-CH2 3.97Å; R95-W105 HydrophobicContact CG-CZ2 4.12Å; R95-W105 HydrophobicContact CG-CZ3 3.8Å |
| 96 | A | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 149.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L23 P26 L52 I53 Y54 S103 | L23-A96 HydrophobicContact CD2-CB 4.06Å; L23-A96 HydrophobicContact CG-CB 4.36Å; P26-A96 HydrophobicContact CG-CB 4.41Å; L52-A96 HydrophobicContact CD2-CB 3.74Å; L52-A96 HydrophobicContact CG-CB 4.19Å; I53-A96 CarbonylContact O-C 3.58Å; Y54-A96 HydrophobicContact CD1-CB 4.14Å; Y54-A96 HydrophobicContact CE1-CB 3.87Å; A96-S103 PolarHBondContact N-OG 3.25Å; A96-S103 PolarHBondContact O-N 2.89Å |
| 97 | L | 96 | Very high | 96 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.4 | 172.8 | -51.5 | 173.4 | 0 | 0 | 0 | 108.8 | I53 R95 D101 A102 | I53-L97 HydrophobicContact CD1-CB 4.49Å; I53-L97 HydrophobicContact CG1-CB 3.83Å; I53-L97 HydrophobicContact CG1-CD1 4.32Å; I53-L97 PolarHBondContact N-O 2.88Å; I53-L97 VanDerWaalsContact N-O 3.07Å; I53-L97 PolarHBondContact O-N 2.98Å; R95-L97 HydrophobicContact CG-CD2 4.29Å; L97-D101 CarbonylContact C-O 3.56Å; L97-D101 WeakPolarHBondContact CA-O 3.43Å; L97-A102 HydrophobicContact CD2-CB 3.48Å; L97-A102 VanDerWaalsContact CD2-CB 3.48Å |
| 98 | L | 94.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 96.1 | 175.2 | -178.7 | 60 | 0 | 0 | 0 | 109.4 | L23 P49 L52 E100 D101 | L23-L98 HydrophobicContact CD1-CB 4.36Å; L23-L98 HydrophobicContact CD1-CD2 4.49Å; L23-L98 HydrophobicContact CD2-CB 3.93Å; P49-L98 HydrophobicContact CB-CD2 3.83Å; P49-L98 HydrophobicContact CG-CD2 4.03Å; L52-L98 HydrophobicContact CD1-CB 4.19Å; L52-L98 HydrophobicContact CD1-CD1 4.26Å; L52-L98 HydrophobicContact CD1-CD2 4.1Å; L52-L98 HydrophobicContact CD1-CG 4.42Å; L98-E100 PolarHBondContact O-N 2.86Å; L98-D101 PolarHBondContact N-O 3.18Å; L98-D101 PolarHBondContact O-N 2.95Å |
| 99 | G | 89.6 | Confident | 96.3 | Very high | 72 Ų | 72 | 53 Ų | 53 | 74% | 0.742 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -124.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 100 | E | 88.4 | Confident | 96.3 | Very high | 196 Ų | 196 | 56.5 Ų | 56.5 | 92% | 0.916 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.6 | 175.8 | -57 | -62.4 | 128.5 | 0 | 0 | 113 | L98 | L98-E100 PolarHBondContact O-N 2.86Š|
| 101 | D | 91.9 | Very high | 96.2 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 140.8 | -179.2 | -74.7 | -49.2 | 0 | 0 | 0 | 111.5 | L97 L98 | L97-D101 CarbonylContact C-O 3.56Å; L97-D101 WeakPolarHBondContact CA-O 3.43Å; L98-D101 PolarHBondContact N-O 3.18Å; L98-D101 PolarHBondContact O-N 2.95Å |
| 102 | A | 94.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 58 Ų | 58 | 35% | 0.347 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L97 | L97-A102 HydrophobicContact CD2-CB 3.48Å; L97-A102 VanDerWaalsContact CD2-CB 3.48Å |
| 103 | S | 95.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 165 | 172.7 | 80.9 | 0 | 0 | 0 | 0 | 111.5 | L23 R95 A96 | L23-S103 VanDerWaalsContact O-CA 3.3Å; L23-S103 WeakPolarHBondContact O-CA 3.29Å; L23-S103 WeakPolarHBondContact O-CB 3.29Å; R95-S103 WeakPolarHBondContact CA-OG 3.12Å; R95-S103 WeakPolarHBondContact CB-OG 3.44Å; A96-S103 PolarHBondContact N-OG 3.25Å; A96-S103 PolarHBondContact O-N 2.89Å |
| 104 | A | 96.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 147 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S25 | S25-A104 PolarHBondContact OG-N 2.88Å; S25-A104 PolarHBondContact OG-O 2.81Å |
| 105 | W | 98 | Very high | 95.3 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 141.9 | 170.9 | -72.1 | 108.1 | 0 | 0 | 0 | 110.9 | T55 E57 K93 V94 R95 | T55-W105 HydrophobicContact CG2-CH2 4.36Å; T55-W105 WeakPolarHBondContact O-CZ3 3.26Å; E57-W105 HydrophobicContact CB-CH2 4.05Å; E57-W105 HydrophobicContact CB-CZ3 4.29Å; E57-W105 HydrophobicContact CG-CH2 3.76Å; E57-W105 HydrophobicContact CG-CZ2 4.23Å; E57-W105 HydrophobicContact CG-CZ3 4.47Å; E57-W105 WeakPolarHBondContact OE1-CH2 3.49Å; E57-W105 WeakPolarHBondContact OE1-CZ2 3.36Å; K93-W105 HydrophobicContact CB-CE3 4.03Å; K93-W105 HydrophobicContact CD-CB 4.24Å; K93-W105 HydrophobicContact CD-CD2 3.87Å; K93-W105 HydrophobicContact CD-CE3 3.79Å; K93-W105 HydrophobicContact CD-CG 4.1Å; K93-W105 HydrophobicContact CD-CZ3 4.35Å; K93-W105 HydrophobicContact CG-CD2 4.2Å; K93-W105 HydrophobicContact CG-CE3 3.58Å; K93-W105 HydrophobicContact CG-CZ3 3.9Å; V94-W105 VanDerWaalsContact C-CE3 3.49Å; R95-W105 HydrophobicContact CB-CD2 4.13Å; R95-W105 HydrophobicContact CB-CE3 3.93Å; R95-W105 HydrophobicContact CB-CZ3 4.36Å; R95-W105 HydrophobicContact CG-CD2 3.98Å; R95-W105 HydrophobicContact CG-CE3 3.8Å; R95-W105 HydrophobicContact CG-CH2 3.97Å; R95-W105 HydrophobicContact CG-CZ2 4.12Å; R95-W105 HydrophobicContact CG-CZ3 3.8Å |
| 106 | V | 98.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 66.3 Ų | 66.3 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.5 | 170.2 | -178 | 0 | 0 | 0 | 0 | 108.4 | V29 K93 V94 | V29-V106 HydrophobicContact CB-CG1 4.02Å; V29-V106 HydrophobicContact CG2-CB 3.89Å; V29-V106 HydrophobicContact CG2-CG1 3.5Å; V29-V106 VanDerWaalsContact CG2-CG1 3.5Å; K93-V106 CarbonylContact C-O 3.54Å; K93-V106 WeakPolarHBondContact CA-O 3.27Å; K93-V106 VanDerWaalsContact CB-O 3.29Å; K93-V106 WeakPolarHBondContact CB-O 3.45Å; V94-V106 PolarHBondContact N-O 3.48Å; V94-V106 PolarHBondContact O-N 3.19Å |
| 107 | E | 98.4 | Very high | 95 | Very high | 107 Ų | 107 | 66.8 Ų | 66.8 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 144.3 | 176.6 | -77.6 | 175.7 | 164.3 | 0 | 0 | 111.2 | Y65 I91 K93 | Y65-E107 WeakPolarHBondContact CE2-OE1 3.5Å; Y65-E107 VanDerWaalsContact CZ-OE1 3.31Å; Y65-E107 VanDerWaalsContact OH-CD 3.24Å; Y65-E107 PolarHBondContact OH-OE1 3.08Å; I91-E107 HydrophobicContact CG2-CB 4.47Å; I91-E107 HydrophobicContact CG2-CG 4.48Å; K93-E107 HydrophobicContact CB-CB 4.42Å; K93-E107 HydrophobicContact CB-CG 3.74Å; K93-E107 HydrophobicContact CD-CG 4.26Å |
| 108 | S | 98.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 170.7 | 167.8 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | L31 A92 | L31-S108 WeakPolarHBondContact CB-OG 3.44Å; A92-S108 PolarHBondContact N-OG 2.04Å; A92-S108 VanDerWaalsContact N-OG 3.17Å; A92-S108 WeakPolarHBondContact O-CB 3.42Å; A92-S108 PolarHBondContact O-N 2.96Å; A92-S108 PolarHBondContact O-OG 2.84Å; A92-S108 VanDerWaalsContact O-OG 3.1Å |
| 109 | K | 97.9 | Very high | 94.8 | Very high | 161 Ų | 161 | 67.9 Ų | 67.9 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 161.5 | 154.5 | -65.5 | -179.4 | -178 | 176.5 | 0 | 110.4 | ||
| 110 | D | 96.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 156 | 169.2 | 57.8 | -49.8 | 0 | 0 | 0 | 112.5 | T89 Y90 I91 | T89-D110 HydrophobicContact CG2-CB 4.05Å; Y90-D110 VanDerWaalsContact O-CA 3.25Å; Y90-D110 WeakPolarHBondContact O-CA 3.5Å; I91-D110 HydrophobicContact CD1-CB 4.11Å; I91-D110 HydrophobicContact CG1-CB 3.58Å |
| 111 | I | 97.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.5 | 172.8 | -166.1 | 173 | 0 | 0 | 0 | 109.6 | L31 L38 T89 Y90 D116 | L31-I111 HydrophobicContact CD2-CG2 3.72Å; L31-I111 HydrophobicContact CG-CG2 3.8Å; L38-I111 HydrophobicContact CD1-CG2 3.57Å; T89-I111 CarbonylContact C-O 3.48Å; T89-I111 VanDerWaalsContact CA-O 3.31Å; T89-I111 WeakPolarHBondContact CA-O 3.05Å; Y90-I111 PolarHBondContact N-O 2.94Å; Y90-I111 PolarHBondContact O-N 3.01Å; I111-D116 HydrophobicContact CD1-CB 4.16Å; I111-D116 HydrophobicContact CG1-CB 3.51Å |
| 112 | M | 96.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 110.1 | 177.6 | -160.8 | 166.3 | 80 | 0 | 0 | 110.9 | T89 D114 R115 D116 | T89-M112 HydrophobicContact CG2-CB 4.25Å; T89-M112 WeakPolarHBondContact OG1-CG 3.38Å; T89-M112 PolarHBondContact OG1-SD 2.87Å; T89-M112 VanDerWaalsContact OG1-SD 3.35Å; M112-D114 VanDerWaalsContact C-N 3.33Å; M112-D114 WeakPolarHBondContact CG-OD1 3.34Å; M112-D114 PolarHBondContact O-N 2.68Å; M112-R115 HydrophobicContact CE-CB 4.32Å; M112-R115 HydrophobicContact CE-CG 3.65Å; M112-R115 VanDerWaalsContact CE-NE 3.29Å; M112-R115 PolarHBondContact O-N 2.83Å; M112-D116 WeakPolarHBondContact CB-OD2 3.07Å; M112-D116 PolarHBondContact N-OD2 3.43Å; M112-D116 PolarHBondContact O-N 2.85Å |
| 113 | L | 94.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -35.6 | -163.5 | -81.1 | -178.1 | 0 | 0 | 0 | 114.6 | S33 L36 L38 I84 C86 G88 Y90 R115 T117 I144 | S33-L113 VanDerWaalsContact OG-CD2 3.31Å; S33-L113 WeakPolarHBondContact OG-CD2 3.33Å; L36-L113 HydrophobicContact CD2-CB 4.05Å; L36-L113 WeakPolarHBondContact CD2-O 3.19Å; L38-L113 HydrophobicContact CB-CD2 4.29Å; L38-L113 HydrophobicContact CD1-CD2 4.03Å; I84-L113 HydrophobicContact CD1-CD1 3.94Å; I84-L113 HydrophobicContact CG1-CD1 4.34Å; C86-L113 WeakPolarHBondContact O-CB 3.25Å; G88-L113 PolarHBondContact O-N 2.91Å; G88-L113 VanDerWaalsContact O-N 3.14Å; Y90-L113 HydrophobicContact CD2-CD1 3.85Å; Y90-L113 HydrophobicContact CD2-CG 4.04Å; Y90-L113 HydrophobicContact CE2-CD1 3.7Å; Y90-L113 HydrophobicContact CE2-CG 4.28Å; L113-R115 PolarHBondContact O-N 3.23Å; L113-T117 WeakPolarHBondContact O-CB 3.5Å; L113-T117 WeakPolarHBondContact O-CG2 3.5Å; L113-I144 HydrophobicContact CD1-CD1 3.99Å |
| 114 | D | 92.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73 | -9.3 | 179.6 | 62.8 | -69 | 0 | 0 | 0 | 114.2 | C86 Y87 M112 V150 Y151 | C86-D114 PolarHBondContact O-N 2.64Å; Y87-D114 HydrophobicContact CD1-CB 4.13Å; M112-D114 VanDerWaalsContact C-N 3.33Å; M112-D114 WeakPolarHBondContact CG-OD1 3.34Å; M112-D114 PolarHBondContact O-N 2.68Å; D114-V150 HydrophobicContact CB-CG1 3.9Å; D114-Y151 VanDerWaalsContact C-OH 3.32Å; D114-Y151 WeakPolarHBondContact O-CE1 3.02Å; D114-Y151 VanDerWaalsContact O-CZ 3.31Å; D114-Y151 PolarHBondContact O-OH 2.82Å |
| 115 | R | 91.8 | Very high | 95.5 | Very high | 153 Ų | 153 | 57 Ų | 57 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -130.1 | -37.6 | -174.6 | -52.1 | -161.4 | -172.1 | -168.2 | 1.2 | 115.1 | M112 L113 | M112-R115 HydrophobicContact CE-CB 4.32Å; M112-R115 HydrophobicContact CE-CG 3.65Å; M112-R115 VanDerWaalsContact CE-NE 3.29Å; M112-R115 PolarHBondContact O-N 2.83Å; L113-R115 PolarHBondContact O-N 3.23Å |
| 116 | D | 93.3 | Very high | 95.5 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -97.7 | -5 | -172.8 | -53.1 | -35.1 | 0 | 0 | 0 | 112.1 | I111 M112 L118 | I111-D116 HydrophobicContact CD1-CB 4.16Å; I111-D116 HydrophobicContact CG1-CB 3.51Å; M112-D116 WeakPolarHBondContact CB-OD2 3.07Å; M112-D116 PolarHBondContact N-OD2 3.43Å; M112-D116 PolarHBondContact O-N 2.85Å; D116-L118 PolarHBondContact O-N 2.78Å |
| 117 | T | 94.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65.1 | 133.5 | 171 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | S33 D35 L36 L113 I119 | S33-T117 PolarHBondContact O-OG1 3.5Å; S33-T117 WeakPolarHBondContact OG-CB 3.48Å; S33-T117 PolarHBondContact OG-OG1 2.94Å; D35-T117 PolarHBondContact N-OG1 3.24Å; L36-T117 HydrophobicContact CD2-CG2 3.96Å; L36-T117 PolarHBondContact N-OG1 3.43Å; L113-T117 WeakPolarHBondContact O-CB 3.5Å; L113-T117 WeakPolarHBondContact O-CG2 3.5Å; T117-I119 HydrophobicContact CG2-CG1 4.26Å |
| 118 | L | 94.4 | Very high | 95.2 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 143.4 | 160.8 | -58.4 | -178.8 | 0 | 0 | 0 | 108.3 | S33 R34 D35 D116 | S33-L118 PolarHBondContact O-N 2.89Å; R34-L118 CarbonylContact C-O 3.53Å; R34-L118 WeakPolarHBondContact CA-O 3.48Å; R34-L118 HydrophobicContact CB-CB 4.28Å; R34-L118 HydrophobicContact CG-CB 4.38Å; D35-L118 PolarHBondContact N-O 3.18Å; D116-L118 PolarHBondContact O-N 2.78Å |
| 119 | I | 93.5 | Very high | 94.9 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | trans | -115.8 | 119.6 | 176 | -56.9 | 178 | 0 | 0 | 0 | 106.2 | T117 P140 F142 L147 Y151 T199 T204 | T117-I119 HydrophobicContact CG2-CG1 4.26Å; I119-P140 HydrophobicContact CG2-CG 4.08Å; I119-F142 HydrophobicContact CD1-CZ 4.37Å; I119-F142 HydrophobicContact CG1-CZ 4.05Å; I119-F142 HydrophobicContact CG2-CE1 4.07Å; I119-F142 HydrophobicContact CG2-CZ 4.02Å; I119-L147 HydrophobicContact CG2-CD1 3.97Å; I119-Y151 HydrophobicContact CD1-CD2 4.12Å; I119-Y151 HydrophobicContact CD1-CE2 3.48Å; I119-Y151 VanDerWaalsContact CD1-CE2 3.48Å; I119-Y151 HydrophobicContact CG1-CE2 4.38Å; I119-T199 HydrophobicContact CD1-CG2 3.81Å; I119-T204 HydrophobicContact CB-CG2 3.77Å; I119-T204 HydrophobicContact CD1-CG2 4.28Å; I119-T204 HydrophobicContact CG2-CG2 3.93Å | ||
| 120 | S | 94.4 | Very high | 94.4 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 153.1 | 178 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | R34 D35 P140 | R34-S120 WeakPolarHBondContact CD-OG 3.35Å; R34-S120 PolarHBondContact NH1-OG 2.85Å; D35-S120 PolarHBondContact OD1-N 2.83Å; D35-S120 WeakPolarHBondContact OD2-CB 3.32Å; D35-S120 PolarHBondContact OD2-OG 3.42Å; S120-P140 WeakPolarHBondContact O-CG 3.41Å |
| 121 | P | 94.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.9 | 178.4 | 25.5 | -34.4 | 0 | 0 | 0 | 112 | ||
| 122 | P | 93.6 | Very high | 94 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 153.4 | 176.7 | 31.1 | -35.7 | 0 | 0 | 0 | 110.8 | I137 K138 Y156 V195 | P122-I137 HydrophobicContact CB-CG2 3.78Å; P122-I137 HydrophobicContact CG-CG2 4.22Å; P122-K138 WeakPolarHBondContact CA-O 3.36Å; P122-K138 WeakPolarHBondContact CB-O 3.42Å; P122-Y156 HydrophobicContact CB-CE1 3.76Å; P122-Y156 HydrophobicContact CG-CD1 4.21Å; P122-Y156 HydrophobicContact CG-CE1 3.74Å; P122-V195 HydrophobicContact CG-CB 4.27Å; P122-V195 HydrophobicContact CG-CG1 3.87Å |
| 123 | S | 94.9 | Very high | 94 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 53% | 0.531 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.6 | 170.3 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | I137 K138 | S123-I137 CarbonylContact O-C 3.45Å; S123-I137 WeakPolarHBondContact O-CA 3.43Å; S123-K138 PolarHBondContact N-O 3.01Å; S123-K138 PolarHBondContact O-N 2.98Å |
| 124 | V | 96.6 | Very high | 94 | Very high | 31 Ų | 31 | 49 Ų | 49 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.7 | -174.2 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | V135 S136 V195 | V124-V135 HydrophobicContact CG1-CG1 3.81Å; V124-S136 WeakPolarHBondContact CA-O 3.49Å; V124-V195 HydrophobicContact CB-CG2 4.47Å; V124-V195 HydrophobicContact CG1-CG2 3.95Å; V124-V195 HydrophobicContact CG2-CB 3.73Å; V124-V195 HydrophobicContact CG2-CG2 3.61Å |
| 125 | S | 96.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.7 | 165.9 | 60 | 0 | 0 | 0 | 0 | 111.3 | S136 | S125-S136 PolarHBondContact N-O 2.84Å; S125-S136 PolarHBondContact O-N 3.4Å; S125-S136 WeakPolarHBondContact OG-CB 3.44Å |
| 126 | L | 97.2 | Very high | 94.4 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.9 | -178.3 | -60 | 179 | 0 | 0 | 0 | 110.3 | L133 E134 V135 V193 L210 E212 | L126-L133 HydrophobicContact CB-CD1 4.15Å; L126-L133 HydrophobicContact CD1-CD2 4.28Å; L126-L133 HydrophobicContact CD2-CD2 4.22Å; L126-L133 HydrophobicContact CD2-CG 4.34Å; L126-E134 CarbonylContact C-O 3.6Å; L126-E134 WeakPolarHBondContact CA-O 3.2Å; L126-V135 HydrophobicContact CD2-CB 4.24Å; L126-V135 HydrophobicContact CD2-CG1 4.11Å; L126-V135 HydrophobicContact CD2-CG2 3.78Å; L126-V193 HydrophobicContact CD1-CB 4.22Å; L126-V193 HydrophobicContact CD1-CG2 3.97Å; L126-V193 HydrophobicContact CD2-CB 4.03Å; L126-V193 HydrophobicContact CD2-CG1 4.3Å; L126-V193 HydrophobicContact CD2-CG2 3.85Å; L126-L210 HydrophobicContact CB-CD2 4.5Å; L126-L210 HydrophobicContact CD1-CB 4.09Å; L126-L210 HydrophobicContact CD1-CD2 4.3Å; L126-L210 HydrophobicContact CD1-CG 3.85Å; L126-L210 WeakPolarHBondContact CD1-O 3.44Å; L126-L210 HydrophobicContact CG-CB 4.48Å; L126-L210 HydrophobicContact CG-CD2 3.96Å; L126-L210 HydrophobicContact CG-CG 4.08Å; L126-E212 HydrophobicContact CB-CB 4.1Å; L126-E212 HydrophobicContact CD1-CB 3.95Å |
| 127 | L | 96 | Very high | 94.5 | Very high | 92 Ų | 92 | 37.8 Ų | 37.8 | 48% | 0.482 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 113.9 | 175.3 | 176.2 | 67.4 | 0 | 0 | 0 | 109.5 | I129 E134 | L127-I129 HydrophobicContact CD2-CD1 4.21Å; L127-I129 HydrophobicContact CD2-CG1 4.39Å; L127-I129 HydrophobicContact CG-CD1 4.47Å; L127-I129 HydrophobicContact CG-CG1 4.16Å; L127-E134 HydrophobicContact CB-CB 4.31Å; L127-E134 PolarHBondContact N-O 2.96Å; L127-E134 PolarHBondContact O-N 2.82Å |
| 128 | P | 94.6 | Very high | 94.5 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.7 | -179.9 | 30.3 | -30.8 | 0 | 0 | 0 | 110.7 | L133 E212 R213 | P128-L133 HydrophobicContact CB-CD1 4.12Å; P128-E212 HydrophobicContact CB-CG 4.28Å; P128-E212 HydrophobicContact CG-CG 3.86Å; P128-R213 WeakPolarHBondContact CB-O 3.36Å |
| 129 | I | 91.8 | Very high | 94.4 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 42% | 0.415 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 78.8 | -175.7 | -54.2 | -177.9 | 0 | 0 | 0 | 108.6 | L127 Q131 T132 E134 | L127-I129 HydrophobicContact CD2-CD1 4.21Å; L127-I129 HydrophobicContact CD2-CG1 4.39Å; L127-I129 HydrophobicContact CG-CD1 4.47Å; L127-I129 HydrophobicContact CG-CG1 4.16Å; I129-Q131 PolarHBondContact O-N 3.38Å; I129-T132 PolarHBondContact N-O 2.87Å; I129-T132 PolarHBondContact O-N 2.82Å; I129-T132 PolarHBondContact O-OG1 3.15Å; I129-E134 HydrophobicContact CD1-CB 3.84Å; I129-E134 WeakPolarHBondContact CD1-OE2 3.37Å |
| 130 | G | 88.9 | Confident | 94.4 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -122.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G215 | G130-G215 VanDerWaalsContact O-CA 3.31Å; G130-G215 WeakPolarHBondContact O-CA 3.4Å; G130-G215 PolarHBondContact O-N 3.49Å |
| 131 | Q | 91.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.7 | -177.8 | -173.4 | 173.1 | -7.5 | 0 | 0 | 113.7 | I129 L185 P187 T217 | I129-Q131 PolarHBondContact O-N 3.38Å; Q131-L185 WeakPolarHBondContact CG-O 3.26Å; Q131-L185 PolarHBondContact NE2-O 3.18Å; Q131-L185 WeakPolarHBondContact O-CB 3.4Å; Q131-P187 HydrophobicContact CG-CB 4.34Å; Q131-T217 HydrophobicContact CB-CG2 3.4Å; Q131-T217 VanDerWaalsContact CB-CG2 3.4Å; Q131-T217 PolarHBondContact OE1-OG1 2.69Å |
| 132 | T | 93.5 | Very high | 94.3 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 24% | 0.239 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 166.4 | 174.9 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | I129 I181 L182 D183 | I129-T132 PolarHBondContact N-O 2.87Å; I129-T132 PolarHBondContact O-N 2.82Å; I129-T132 PolarHBondContact O-OG1 3.15Å; T132-I181 HydrophobicContact CG2-CG2 4.15Å; T132-L182 VanDerWaalsContact CA-O 3.29Å; T132-L182 WeakPolarHBondContact CA-O 3.35Å; T132-L182 VanDerWaalsContact CB-O 3.29Å; T132-L182 WeakPolarHBondContact CB-O 3.39Å; T132-D183 HydrophobicContact CG2-CB 4.13Å |
| 133 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 112.1 | 177.8 | -170.6 | 65.2 | 0 | 0 | 0 | 109.6 | L126 P128 L182 L185 V193 E212 | L126-L133 HydrophobicContact CB-CD1 4.15Å; L126-L133 HydrophobicContact CD1-CD2 4.28Å; L126-L133 HydrophobicContact CD2-CD2 4.22Å; L126-L133 HydrophobicContact CD2-CG 4.34Å; P128-L133 HydrophobicContact CB-CD1 4.12Å; L133-L182 HydrophobicContact CB-CB 4.37Å; L133-L182 PolarHBondContact N-O 2.86Å; L133-L182 PolarHBondContact O-N 2.96Å; L133-L185 HydrophobicContact CB-CD1 3.67Å; L133-V193 HydrophobicContact CD2-CG2 3.87Å; L133-E212 HydrophobicContact CD1-CB 4.16Å; L133-E212 HydrophobicContact CD1-CG 4.15Å |
| 134 | E | 95.6 | Very high | 94.4 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.1 | 172.5 | -175.7 | -177 | 140.1 | 0 | 0 | 109.2 | L126 L127 I129 S136 R179 | L126-E134 CarbonylContact C-O 3.6Å; L126-E134 WeakPolarHBondContact CA-O 3.2Å; L127-E134 HydrophobicContact CB-CB 4.31Å; L127-E134 PolarHBondContact N-O 2.96Å; L127-E134 PolarHBondContact O-N 2.82Å; I129-E134 HydrophobicContact CD1-CB 3.84Å; I129-E134 WeakPolarHBondContact CD1-OE2 3.37Å; E134-S136 PolarHBondContact OE1-OG 3.36Å; E134-R179 WeakPolarHBondContact OE1-CD 3.45Å; E134-R179 IonicContact OE1-CZ 2.96Å; E134-R179 IonicContact OE1-NE 2.71Å; E134-R179 IonicContact OE1-NH1 2.64Å; E134-R179 PolarHBondContact OE1-NH1 2.94Å |
| 135 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.3 | 173.3 | -172.1 | 0 | 0 | 0 | 0 | 107.2 | V124 L126 I137 R179 V180 L182 V193 V195 | V124-V135 HydrophobicContact CG1-CG1 3.81Å; L126-V135 HydrophobicContact CD2-CB 4.24Å; L126-V135 HydrophobicContact CD2-CG1 4.11Å; L126-V135 HydrophobicContact CD2-CG2 3.78Å; V135-I137 HydrophobicContact CG1-CD1 4.28Å; V135-I137 HydrophobicContact CG1-CG1 3.93Å; V135-R179 WeakPolarHBondContact O-CA 3.33Å; V135-V180 PolarHBondContact N-O 2.93Å; V135-V180 PolarHBondContact O-N 3.27Å; V135-L182 HydrophobicContact CG2-CD1 3.64Å; V135-L182 HydrophobicContact CG2-CG 3.84Å; V135-V193 HydrophobicContact CG1-CG1 4.37Å; V135-V193 HydrophobicContact CG2-CG1 4.24Å; V135-V195 HydrophobicContact CG1-CG2 4.21Å |
| 136 | S | 96.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.6 | 169.3 | -77.9 | 0 | 0 | 0 | 0 | 109.4 | V124 S125 E134 | V124-S136 WeakPolarHBondContact CA-O 3.49Å; S125-S136 PolarHBondContact N-O 2.84Å; S125-S136 PolarHBondContact O-N 3.4Å; S125-S136 WeakPolarHBondContact OG-CB 3.44Å; E134-S136 PolarHBondContact OE1-OG 3.36Å |
| 137 | I | 95.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.7 | -175.2 | -52.3 | 171.8 | 0 | 0 | 0 | 108 | P122 S123 V135 Y156 I158 D178 V195 | P122-I137 HydrophobicContact CB-CG2 3.78Å; P122-I137 HydrophobicContact CG-CG2 4.22Å; S123-I137 CarbonylContact O-C 3.45Å; S123-I137 WeakPolarHBondContact O-CA 3.43Å; V135-I137 HydrophobicContact CG1-CD1 4.28Å; V135-I137 HydrophobicContact CG1-CG1 3.93Å; I137-Y156 HydrophobicContact CB-CD2 4.5Å; I137-Y156 HydrophobicContact CB-CE2 4.36Å; I137-Y156 HydrophobicContact CD1-CD2 4.06Å; I137-Y156 HydrophobicContact CD1-CG 4.09Å; I137-Y156 HydrophobicContact CG2-CD1 4.11Å; I137-Y156 HydrophobicContact CG2-CD2 3.91Å; I137-Y156 HydrophobicContact CG2-CE1 3.82Å; I137-Y156 HydrophobicContact CG2-CE2 3.59Å; I137-Y156 HydrophobicContact CG2-CG 4.17Å; I137-I158 HydrophobicContact CD1-CD1 3.76Å; I137-I158 HydrophobicContact CD1-CG1 4.15Å; I137-D178 PolarHBondContact N-O 3.09Å; I137-D178 WeakPolarHBondContact O-CA 3.3Å; I137-D178 WeakPolarHBondContact O-CB 3.14Å; I137-D178 VanDerWaalsContact O-O 3.12Å; I137-V195 HydrophobicContact CD1-CG1 4.05Å; I137-V195 HydrophobicContact CD1-CG2 4.4Å; I137-V195 HydrophobicContact CG2-CG1 4.41Å |
| 138 | K | 93.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 45.6 Ų | 45.6 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.7 | 173.8 | -177.1 | -165.1 | 169.3 | -171 | 0 | 110 | P122 S123 E141 | P122-K138 WeakPolarHBondContact CA-O 3.36Å; P122-K138 WeakPolarHBondContact CB-O 3.42Å; S123-K138 PolarHBondContact N-O 3.01Å; S123-K138 PolarHBondContact O-N 2.98Å; K138-E141 IonicContact NZ-OE1 3.18Å; K138-E141 PolarHBondContact NZ-OE1 2.87Å |
| 139 | D | 92.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | trans | -48.8 | 141 | 171.3 | -72.9 | 18.2 | 0 | 0 | 0 | 112 | R148 Y156 | D139-R148 IonicContact OD1-CZ 2.74Å; D139-R148 IonicContact OD1-NE 2.68Å; D139-R148 PolarHBondContact OD1-NE 2.82Å; D139-R148 IonicContact OD1-NH2 3.5Å; D139-R148 PolarHBondContact OD1-NH2 2.84Å; D139-R148 WeakPolarHBondContact OD2-CG 3.4Å; D139-R148 IonicContact OD2-CZ 3.56Å; D139-R148 IonicContact OD2-NE 3.55Å; D139-R148 PolarHBondContact OD2-NE 2.88Å; D139-R148 IonicContact OD2-NH2 2.75Å; D139-Y156 PolarHBondContact OD1-OH 2.81Å | ||
| 140 | P | 92.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | trans | -60.5 | 142.6 | 170 | 28 | -37.3 | 0 | 0 | 0 | 111.5 | I119 S120 F142 L147 L197 | I119-P140 HydrophobicContact CG2-CG 4.08Å; S120-P140 WeakPolarHBondContact O-CG 3.41Å; P140-F142 HydrophobicContact CB-CE1 4.43Å; P140-F142 HydrophobicContact CG-CD1 4.5Å; P140-F142 HydrophobicContact CG-CE1 3.99Å; P140-F142 PolarHBondContact O-N 2.98Å; P140-L147 HydrophobicContact CG-CD1 3.52Å; P140-L197 HydrophobicContact CG-CD1 4.25Å | ||
| 141 | E | 93.6 | Very high | 93.2 | Very high | 152 Ų | 152 | 45.2 Ų | 45.2 | 71% | 0.71 | 23% | 0.227 | S | C | * | . | trans | -82.6 | 112.7 | -178.6 | -69.7 | -174.3 | 179.2 | 0 | 0 | 111.1 | K138 | K138-E141 IonicContact NZ-OE1 3.18Å; K138-E141 PolarHBondContact NZ-OE1 2.87Å | ||
| 142 | F | 94.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | trans | -89 | 142.2 | -179.8 | -79.3 | 13 | 0 | 0 | 0 | 112.4 | D35 L36 I119 P140 I144 C145 L147 Y151 | D35-F142 HydrophobicContact CB-CD1 3.62Å; D35-F142 HydrophobicContact CB-CE1 3.95Å; D35-F142 HydrophobicContact CB-CG 4.49Å; D35-F142 CarbonylContact O-C 3.6Å; D35-F142 VanDerWaalsContact O-CA 3.26Å; D35-F142 WeakPolarHBondContact O-CA 3.46Å; D35-F142 WeakPolarHBondContact OD1-CE1 3.47Å; L36-F142 HydrophobicContact CD1-CB 4.25Å; L36-F142 HydrophobicContact CD1-CD2 3.45Å; L36-F142 VanDerWaalsContact CD1-CD2 3.45Å; L36-F142 HydrophobicContact CD1-CE2 4.09Å; L36-F142 HydrophobicContact CD1-CG 4.2Å; L36-F142 HydrophobicContact CG-CD2 3.71Å; L36-F142 HydrophobicContact CG-CE2 4.08Å; L36-F142 HydrophobicContact CG-CG 4.28Å; I119-F142 HydrophobicContact CD1-CZ 4.37Å; I119-F142 HydrophobicContact CG1-CZ 4.05Å; I119-F142 HydrophobicContact CG2-CE1 4.07Å; I119-F142 HydrophobicContact CG2-CZ 4.02Å; P140-F142 HydrophobicContact CB-CE1 4.43Å; P140-F142 HydrophobicContact CG-CD1 4.5Å; P140-F142 HydrophobicContact CG-CE1 3.99Å; P140-F142 PolarHBondContact O-N 2.98Å; F142-I144 PolarHBondContact O-N 3.48Å; F142-C145 WeakPolarHBondContact CB-O 3.5Å; F142-C145 WeakPolarHBondContact CD2-O 3.41Å; F142-L147 HydrophobicContact CD1-CB 4.38Å; F142-L147 HydrophobicContact CD2-CB 3.98Å; F142-L147 HydrophobicContact CE1-CB 4.23Å; F142-L147 HydrophobicContact CE1-CD1 3.84Å; F142-L147 HydrophobicContact CE1-CG 4.43Å; F142-L147 HydrophobicContact CE2-CB 3.81Å; F142-L147 HydrophobicContact CE2-CD1 4.28Å; F142-L147 HydrophobicContact CE2-CG 4.09Å; F142-L147 HydrophobicContact CG-CB 4.3Å; F142-L147 HydrophobicContact CZ-CB 3.96Å; F142-L147 HydrophobicContact CZ-CD1 3.62Å; F142-L147 HydrophobicContact CZ-CG 3.93Å; F142-Y151 HydrophobicContact CE2-CD2 4.26Å; F142-Y151 AromaticContact CE2-CE2 3.88Å; F142-Y151 HydrophobicContact CE2-CE2 3.88Å; F142-Y151 HydrophobicContact CZ-CE2 4.15Å | ||
| 143 | K | 95.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -70.1 | -29.2 | -172.4 | -178.4 | 75 | -172.3 | -154.9 | 0 | 115 | D35 N37 E78 N81 | D35-K143 PolarHBondContact O-N 2.62Å; N37-K143 HydrophobicContact CB-CB 3.94Å; N37-K143 HydrophobicContact CB-CG 4.16Å; N37-K143 WeakPolarHBondContact OD1-CG 3.37Å; E78-K143 IonicContact OE1-NZ 3.59Å; E78-K143 PolarHBondContact OE1-NZ 2.9Å; N81-K143 WeakPolarHBondContact OD1-CE 3.32Å; N81-K143 PolarHBondContact OD1-NZ 2.62Å |
| 144 | I | 94.3 | Very high | 92.1 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -117.3 | -60.5 | -171.1 | -55 | 171.9 | 0 | 0 | 0 | 112.2 | L36 I84 C86 L113 F142 | L36-I144 HydrophobicContact CB-CB 4.36Å; L36-I144 HydrophobicContact CB-CD1 4.26Å; L36-I144 HydrophobicContact CB-CG1 4.31Å; L36-I144 WeakPolarHBondContact O-CD1 3.44Å; L36-I144 WeakPolarHBondContact O-CG1 3.43Å; I84-I144 HydrophobicContact CD1-CD1 3.93Å; I84-I144 HydrophobicContact CG1-CD1 3.48Å; I84-I144 VanDerWaalsContact CG1-CD1 3.48Å; I84-I144 VanDerWaalsContact O-CG2 3.28Å; I84-I144 WeakPolarHBondContact O-CG2 3.44Å; C86-I144 HydrophobicContact CB-CB 4.49Å; C86-I144 HydrophobicContact CB-CG2 4.19Å; L113-I144 HydrophobicContact CD1-CD1 3.99Å; F142-I144 PolarHBondContact O-N 3.48Å |
| 145 | C | 94.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -124 | 142.8 | -177 | -63.8 | 0 | 0 | 0 | 0 | 107.8 | L36 C86 F142 V150 | L36-C145 HydrophobicContact CD1-CB 4.03Å; L36-C145 WeakPolarHBondContact CD1-O 3.45Å; C86-C145 HydrophobicContact CB-CB 3.65Å; C86-C145 WeakPolarHBondContact CB-SG 3.38Å; C86-C145 WeakPolarHBondContact SG-CB 3.45Å; C86-C145 CovalentContact SG-SG 2.04Å; C86-C145 PolarHBondContact SG-SG 2.78Å; F142-C145 WeakPolarHBondContact CB-O 3.5Å; F142-C145 WeakPolarHBondContact CD2-O 3.41Å; C145-V150 HydrophobicContact CB-CG2 3.7Å |
| 146 | S | 92.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | trans | -62.5 | 150.5 | 176.7 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | R148 N149 V150 | S146-R148 VanDerWaalsContact C-N 3.29Å; S146-R148 PolarHBondContact O-N 3.45Å; S146-N149 WeakPolarHBondContact O-CB 3.41Å; S146-N149 PolarHBondContact O-N 3.38Å; S146-N149 WeakPolarHBondContact OG-CB 3.43Å; S146-N149 PolarHBondContact OG-ND2 3.18Å; S146-N149 PolarHBondContact OG-OD1 2.75Å; S146-V150 PolarHBondContact O-N 2.94Å | ||
| 147 | L | 91.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.7 | -44.3 | -178.9 | 178.4 | 146.3 | 0 | 0 | 0 | 112.5 | I119 P140 F142 N149 V150 Y151 V154 L197 | I119-L147 HydrophobicContact CG2-CD1 3.97Å; P140-L147 HydrophobicContact CG-CD1 3.52Å; F142-L147 HydrophobicContact CD1-CB 4.38Å; F142-L147 HydrophobicContact CD2-CB 3.98Å; F142-L147 HydrophobicContact CE1-CB 4.23Å; F142-L147 HydrophobicContact CE1-CD1 3.84Å; F142-L147 HydrophobicContact CE1-CG 4.43Å; F142-L147 HydrophobicContact CE2-CB 3.81Å; F142-L147 HydrophobicContact CE2-CD1 4.28Å; F142-L147 HydrophobicContact CE2-CG 4.09Å; F142-L147 HydrophobicContact CG-CB 4.3Å; F142-L147 HydrophobicContact CZ-CB 3.96Å; F142-L147 HydrophobicContact CZ-CD1 3.62Å; F142-L147 HydrophobicContact CZ-CG 3.93Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 2.94Å; L147-V150 PolarHBondContact O-N 2.71Å; L147-Y151 HydrophobicContact CG-CD2 4.23Å; L147-Y151 PolarHBondContact O-N 3.34Å; L147-V154 HydrophobicContact CD2-CB 4.26Å; L147-V154 HydrophobicContact CD2-CG1 3.97Å; L147-V154 HydrophobicContact CD2-CG2 3.77Å; L147-L197 HydrophobicContact CD1-CD1 3.55Å; L147-L197 HydrophobicContact CD1-CD2 4.41Å; L147-L197 HydrophobicContact CD2-CD1 4.34Å |
| 148 | R | 88.9 | Confident | 91.6 | Very high | 71 Ų | 71 | 50 Ų | 50 | 27% | 0.268 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -18.7 | 178.2 | -55.3 | -64.7 | 175.1 | 153.3 | 2.7 | 114.6 | D139 S146 V154 | D139-R148 IonicContact OD1-CZ 2.74Å; D139-R148 IonicContact OD1-NE 2.68Å; D139-R148 PolarHBondContact OD1-NE 2.82Å; D139-R148 IonicContact OD1-NH2 3.5Å; D139-R148 PolarHBondContact OD1-NH2 2.84Å; D139-R148 WeakPolarHBondContact OD2-CG 3.4Å; D139-R148 IonicContact OD2-CZ 3.56Å; D139-R148 IonicContact OD2-NE 3.55Å; D139-R148 PolarHBondContact OD2-NE 2.88Å; D139-R148 IonicContact OD2-NH2 2.75Å; S146-R148 VanDerWaalsContact C-N 3.29Å; S146-R148 PolarHBondContact O-N 3.45Å; R148-V154 PolarHBondContact NH1-O 2.81Å; R148-V154 VanDerWaalsContact NH1-O 3.1Å |
| 149 | N | 89.8 | Confident | 91.8 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 60% | 0.599 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -77.2 | -37 | 173.9 | -75.6 | 6.8 | 0 | 0 | 0 | 111.4 | Y87 S146 L147 | Y87-N149 PolarHBondContact OH-O 2.96Å; S146-N149 WeakPolarHBondContact O-CB 3.41Å; S146-N149 PolarHBondContact O-N 3.38Å; S146-N149 WeakPolarHBondContact OG-CB 3.43Å; S146-N149 PolarHBondContact OG-ND2 3.18Å; S146-N149 PolarHBondContact OG-OD1 2.75Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 2.94Å |
| 150 | V | 91.3 | Very high | 92 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -85 | -41.3 | -180 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | L36 C86 Y87 D114 C145 S146 L147 | L36-V150 HydrophobicContact CD1-CG2 4.02Å; C86-V150 HydrophobicContact CB-CG2 4.14Å; Y87-V150 HydrophobicContact CE1-CB 4.47Å; Y87-V150 HydrophobicContact CE1-CG1 4.15Å; Y87-V150 HydrophobicContact CE1-CG2 4.31Å; D114-V150 HydrophobicContact CB-CG1 3.9Å; C145-V150 HydrophobicContact CB-CG2 3.7Å; S146-V150 PolarHBondContact O-N 2.94Å; L147-V150 PolarHBondContact O-N 2.71Å |
| 151 | Y | 89.1 | Confident | 92.2 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | trans | -111.3 | 97.2 | 179.8 | -55.2 | -66.8 | 0 | 0 | 0 | 110.4 | D114 I119 F142 L147 I153 V154 T199 | D114-Y151 VanDerWaalsContact C-OH 3.32Å; D114-Y151 WeakPolarHBondContact O-CE1 3.02Å; D114-Y151 VanDerWaalsContact O-CZ 3.31Å; D114-Y151 PolarHBondContact O-OH 2.82Å; I119-Y151 HydrophobicContact CD1-CD2 4.12Å; I119-Y151 HydrophobicContact CD1-CE2 3.48Å; I119-Y151 VanDerWaalsContact CD1-CE2 3.48Å; I119-Y151 HydrophobicContact CG1-CE2 4.38Å; F142-Y151 HydrophobicContact CE2-CD2 4.26Å; F142-Y151 AromaticContact CE2-CE2 3.88Å; F142-Y151 HydrophobicContact CE2-CE2 3.88Å; F142-Y151 HydrophobicContact CZ-CE2 4.15Å; L147-Y151 HydrophobicContact CG-CD2 4.23Å; L147-Y151 PolarHBondContact O-N 3.34Å; Y151-I153 VanDerWaalsContact C-N 3.29Å; Y151-I153 PolarHBondContact O-N 2.88Å; Y151-V154 VanDerWaalsContact CB-CG2 3.45Å; Y151-V154 WeakPolarHBondContact O-CG2 3.35Å; Y151-T199 HydrophobicContact CD1-CG2 4.48Å; Y151-T199 HydrophobicContact CG-CG2 4.28Å | ||
| 152 | S | 83.6 | Confident | 92.3 | Very high | 101 Ų | 101 | 40.5 Ų | 40.5 | 71% | 0.706 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -69.5 | -23 | -178.3 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 153 | I | 85.5 | Confident | 92.4 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | trans | -120.3 | 110.1 | 174.1 | -57.2 | -178.3 | 0 | 0 | 0 | 108 | Y151 L200 | Y151-I153 VanDerWaalsContact C-N 3.29Å; Y151-I153 PolarHBondContact O-N 2.88Å; I153-L200 HydrophobicContact CB-CD1 4.29Å; I153-L200 HydrophobicContact CB-CD2 4.31Å; I153-L200 HydrophobicContact CB-CG 4.23Å; I153-L200 HydrophobicContact CD1-CD1 4.34Å; I153-L200 HydrophobicContact CG2-CD2 4.29Å | ||
| 154 | V | 87.9 | Confident | 92.2 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | trans | -140.1 | 125.2 | 178.1 | 170.6 | 0 | 0 | 0 | 0 | 108.8 | L147 R148 Y151 L197 I198 T199 | L147-V154 HydrophobicContact CD2-CB 4.26Å; L147-V154 HydrophobicContact CD2-CG1 3.97Å; L147-V154 HydrophobicContact CD2-CG2 3.77Å; R148-V154 PolarHBondContact NH1-O 2.81Å; R148-V154 VanDerWaalsContact NH1-O 3.1Å; Y151-V154 VanDerWaalsContact CB-CG2 3.45Å; Y151-V154 WeakPolarHBondContact O-CG2 3.35Å; V154-L197 HydrophobicContact CG1-CD1 4.18Å; V154-L197 HydrophobicContact CG1-CD2 3.71Å; V154-L197 HydrophobicContact CG1-CG 3.78Å; V154-I198 WeakPolarHBondContact CA-O 3.45Å; V154-T199 HydrophobicContact CG2-CG2 4.36Å | ||
| 155 | S | 90.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 161.7 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | D174 I198 | S155-D174 VanDerWaalsContact CA-O 3.3Å; S155-D174 WeakPolarHBondContact CA-O 3.35Å; S155-D174 WeakPolarHBondContact CB-O 3.33Å; S155-I198 PolarHBondContact N-O 3.38Å; S155-I198 VanDerWaalsContact N-O 3.15Å; S155-I198 PolarHBondContact O-N 2.78Å |
| 156 | Y | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.6 | 178.9 | -73.3 | -56.1 | 0 | 0 | 0 | 110.7 | P122 I137 D139 N173 D174 V195 L197 | P122-Y156 HydrophobicContact CB-CE1 3.76Å; P122-Y156 HydrophobicContact CG-CD1 4.21Å; P122-Y156 HydrophobicContact CG-CE1 3.74Å; I137-Y156 HydrophobicContact CB-CD2 4.5Å; I137-Y156 HydrophobicContact CB-CE2 4.36Å; I137-Y156 HydrophobicContact CD1-CD2 4.06Å; I137-Y156 HydrophobicContact CD1-CG 4.09Å; I137-Y156 HydrophobicContact CG2-CD1 4.11Å; I137-Y156 HydrophobicContact CG2-CD2 3.91Å; I137-Y156 HydrophobicContact CG2-CE1 3.82Å; I137-Y156 HydrophobicContact CG2-CE2 3.59Å; I137-Y156 HydrophobicContact CG2-CG 4.17Å; D139-Y156 PolarHBondContact OD1-OH 2.81Å; Y156-N173 WeakPolarHBondContact O-CA 3.37Å; Y156-D174 PolarHBondContact N-O 3.43Å; Y156-D174 PolarHBondContact O-N 2.74Å; Y156-V195 HydrophobicContact CD1-CG1 3.81Å; Y156-V195 HydrophobicContact CG-CG1 4.22Å; Y156-L197 HydrophobicContact CD1-CB 4.3Å; Y156-L197 HydrophobicContact CD1-CG 4.42Å; Y156-L197 HydrophobicContact CE1-CB 3.92Å; Y156-L197 HydrophobicContact CE1-CD1 3.83Å; Y156-L197 HydrophobicContact CE1-CG 3.8Å |
| 157 | K | 94 | Very high | 92 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 22% | 0.222 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 109.5 | 167.3 | -174 | -152.9 | -179.8 | -147.1 | 0 | 107.7 | T159 E169 I171 V195 Q196 I198 | K157-T159 WeakPolarHBondContact CE-OG1 3.33Å; K157-T159 PolarHBondContact NZ-OG1 3.38Å; K157-E169 IonicContact NZ-OE1 3.79Å; K157-I171 HydrophobicContact CG-CG2 3.81Å; K157-V195 WeakPolarHBondContact O-CA 3.46Å; K157-Q196 HydrophobicContact CB-CB 4.37Å; K157-Q196 PolarHBondContact N-O 3.46Å; K157-Q196 PolarHBondContact O-N 3.07Å; K157-I198 HydrophobicContact CB-CD1 4.39Å; K157-I198 HydrophobicContact CB-CG1 4.09Å |
| 158 | I | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 103.2 | 177.8 | -53.7 | 170.9 | 0 | 0 | 0 | 107.5 | I137 I171 H172 V180 L182 V193 V195 | I137-I158 HydrophobicContact CD1-CD1 3.76Å; I137-I158 HydrophobicContact CD1-CG1 4.15Å; I158-I171 WeakPolarHBondContact O-CA 3.45Å; I158-H172 HydrophobicContact CB-CB 4.33Å; I158-H172 PolarHBondContact N-O 2.85Å; I158-H172 PolarHBondContact O-N 3.22Å; I158-V180 HydrophobicContact CD1-CB 3.75Å; I158-V180 HydrophobicContact CD1-CG1 3.91Å; I158-V180 HydrophobicContact CD1-CG2 3.67Å; I158-L182 HydrophobicContact CG2-CD1 4.46Å; I158-L182 HydrophobicContact CG2-CD2 4.48Å; I158-V193 HydrophobicContact CG2-CG1 3.72Å; I158-V195 HydrophobicContact CG1-CG1 4.28Å; I158-V195 HydrophobicContact CG1-CG2 4.21Å; I158-V195 HydrophobicContact CG2-CG2 4.37Å |
| 159 | T | 96.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.8 | 172.2 | -72.6 | 0 | 0 | 0 | 0 | 108.7 | K157 W161 E169 R170 V193 Q194 | K157-T159 WeakPolarHBondContact CE-OG1 3.33Å; K157-T159 PolarHBondContact NZ-OG1 3.38Å; T159-W161 HydrophobicContact CG2-CE3 3.96Å; T159-W161 HydrophobicContact CG2-CZ3 3.89Å; T159-E169 HydrophobicContact CG2-CB 3.8Å; T159-E169 HydrophobicContact CG2-CG 4.15Å; T159-E169 WeakPolarHBondContact CG2-OE1 3.42Å; T159-E169 WeakPolarHBondContact CG2-OE2 3.49Å; T159-E169 PolarHBondContact OG1-OE1 2.75Å; T159-R170 CarbonylContact C-O 3.59Å; T159-R170 WeakPolarHBondContact CA-O 3.44Å; T159-V193 WeakPolarHBondContact O-CA 3.36Å; T159-Q194 PolarHBondContact N-O 3.18Å; T159-Q194 PolarHBondContact O-N 3.27Å |
| 160 | Y | 97.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146.9 | 179.2 | 69.7 | -80.8 | 0 | 0 | 0 | 113.3 | R170 H172 L182 L185 Y191 C192 | Y160-R170 HydrophobicContact CD1-CB 4.02Å; Y160-R170 WeakPolarHBondContact CD1-O 3.26Å; Y160-R170 HydrophobicContact CD2-CB 4.33Å; Y160-R170 HydrophobicContact CE1-CB 3.54Å; Y160-R170 HydrophobicContact CE2-CB 3.88Å; Y160-R170 HydrophobicContact CE2-CG 4.29Å; Y160-R170 HydrophobicContact CG-CB 4.39Å; Y160-R170 VanDerWaalsContact CZ-CB 3.46Å; Y160-R170 PolarHBondContact N-O 2.65Å; Y160-R170 PolarHBondContact O-N 2.82Å; Y160-R170 VanDerWaalsContact OH-CD 3.26Å; Y160-R170 WeakPolarHBondContact OH-CD 3.44Å; Y160-H172 HydrophobicContact CE1-CB 4.4Å; Y160-L182 HydrophobicContact CD1-CD1 3.93Å; Y160-L182 HydrophobicContact CD1-CD2 4Å; Y160-L182 HydrophobicContact CD2-CD1 4.06Å; Y160-L182 HydrophobicContact CE1-CD1 4.37Å; Y160-L182 HydrophobicContact CE1-CD2 3.77Å; Y160-L182 HydrophobicContact CE2-CD1 4.49Å; Y160-L182 HydrophobicContact CG-CD1 3.76Å; Y160-L185 HydrophobicContact CD2-CD2 4.17Å; Y160-L185 HydrophobicContact CE2-CD2 3.6Å; Y160-Y191 HydrophobicContact CD2-CD1 4.2Å; Y160-Y191 HydrophobicContact CD2-CE1 4.5Å; Y160-C192 CarbonylContact C-O 3.59Å; Y160-C192 WeakPolarHBondContact CA-O 3.43Å; Y160-C192 WeakPolarHBondContact CB-O 3Å |
| 161 | W | 97.5 | Very high | 92.5 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 166.7 | -174.9 | 61.7 | 102.3 | 0 | 0 | 0 | 111.4 | T159 E166 Y191 C192 Q194 V209 | T159-W161 HydrophobicContact CG2-CE3 3.96Å; T159-W161 HydrophobicContact CG2-CZ3 3.89Å; W161-E166 VanDerWaalsContact CD1-OE1 3.25Å; W161-E166 PolarHBondContact NE1-OE1 2.85Å; W161-Y191 CarbonylContact O-C 3.56Å; W161-Y191 VanDerWaalsContact O-CA 3.25Å; W161-Y191 WeakPolarHBondContact O-CA 3.49Å; W161-Y191 WeakPolarHBondContact O-CD1 3.11Å; W161-C192 HydrophobicContact CD2-CB 4.03Å; W161-C192 HydrophobicContact CG-CB 4.46Å; W161-C192 HydrophobicContact CH2-CB 4.42Å; W161-C192 HydrophobicContact CZ2-CB 3.77Å; W161-C192 PolarHBondContact N-O 2.98Å; W161-C192 PolarHBondContact O-N 3.34Å; W161-Q194 HydrophobicContact CH2-CB 4.18Å; W161-Q194 HydrophobicContact CZ3-CB 4.1Å; W161-V209 HydrophobicContact CH2-CB 4.43Å; W161-V209 HydrophobicContact CH2-CG1 3.65Å; W161-V209 HydrophobicContact CH2-CG2 3.85Å; W161-V209 HydrophobicContact CZ2-CG1 3.62Å; W161-V209 HydrophobicContact CZ2-CG2 4.22Å |
| 162 | K | 96.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.5 | 170.8 | -64.4 | 174.3 | -176.1 | 177.5 | 0 | 109 | G164 Q165 D186 T189 Y191 | K162-G164 PolarHBondContact O-N 3.46Å; K162-Q165 HydrophobicContact CB-CB 4.21Å; K162-Q165 HydrophobicContact CB-CG 4.42Å; K162-Q165 WeakPolarHBondContact O-CA 3.34Å; K162-Q165 PolarHBondContact O-N 2.88Å; K162-D186 WeakPolarHBondContact CE-OD2 3.02Å; K162-D186 IonicContact NZ-OD1 3.73Å; K162-D186 PolarHBondContact NZ-OD1 2.95Å; K162-D186 IonicContact NZ-OD2 3.41Å; K162-D186 PolarHBondContact NZ-OD2 3.16Å; K162-T189 HydrophobicContact CB-CG2 4.46Å; K162-T189 HydrophobicContact CD-CG2 4.1Å; K162-T189 HydrophobicContact CG-CG2 3.95Å; K162-Y191 WeakPolarHBondContact CE-OH 3.47Å; K162-Y191 HydrophobicContact CG-CD1 4.06Å; K162-Y191 HydrophobicContact CG-CE1 3.51Å; K162-Y191 HydrophobicContact CG-CE2 4.21Å |
| 163 | E | 95.3 | Very high | 92.8 | Very high | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 121.1 | 178.4 | 178.2 | 172 | -115.6 | 0 | 0 | 111.7 | K190 | E163-K190 HydrophobicContact CB-CB 4.39Å; E163-K190 HydrophobicContact CB-CG 4.41Å; E163-K190 PolarHBondContact N-O 3.09Å; E163-K190 VanDerWaalsContact OE1-CE 3.32Å; E163-K190 WeakPolarHBondContact OE1-CE 3.14Å; E163-K190 IonicContact OE1-NZ 2.64Å; E163-K190 PolarHBondContact OE1-NZ 3.49Å; E163-K190 WeakPolarHBondContact OE2-CD 3.35Å; E163-K190 IonicContact OE2-NZ 3.76Å |
| 164 | G | 92.4 | Very high | 92.7 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 14.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K162 E166 | K162-G164 PolarHBondContact O-N 3.46Å; G164-E166 WeakPolarHBondContact CA-OE2 3.48Å; G164-E166 PolarHBondContact N-OE1 3.41Å; G164-E166 VanDerWaalsContact N-OE1 3.12Å; G164-E166 PolarHBondContact N-OE2 2.75Å |
| 165 | Q | 94.6 | Very high | 92 | Very high | 80 Ų | 80 | 68.1 Ų | 68.1 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | trans | -133.1 | 43.5 | 173.7 | -58 | -170 | -24.2 | 0 | 0 | 111 | K162 E167 Q168 | K162-Q165 HydrophobicContact CB-CB 4.21Å; K162-Q165 HydrophobicContact CB-CG 4.42Å; K162-Q165 WeakPolarHBondContact O-CA 3.34Å; K162-Q165 PolarHBondContact O-N 2.88Å; Q165-E167 PolarHBondContact O-N 3.24Å; Q165-Q168 HydrophobicContact CB-CB 4.37Å; Q165-Q168 HydrophobicContact CB-CG 4.49Å; Q165-Q168 WeakPolarHBondContact O-CA 3.27Å; Q165-Q168 WeakPolarHBondContact O-CB 3.18Å; Q165-Q168 PolarHBondContact O-N 3.28Å | ||
| 166 | E | 92.2 | Very high | 90.9 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -53.1 | -37.5 | -179.6 | -70.5 | 57.2 | -135.7 | 0 | 0 | 112.4 | W161 G164 Q168 E169 | W161-E166 VanDerWaalsContact CD1-OE1 3.25Å; W161-E166 PolarHBondContact NE1-OE1 2.85Å; G164-E166 WeakPolarHBondContact CA-OE2 3.48Å; G164-E166 PolarHBondContact N-OE1 3.41Å; G164-E166 VanDerWaalsContact N-OE1 3.12Å; G164-E166 PolarHBondContact N-OE2 2.75Å; E166-Q168 PolarHBondContact O-N 2.55Å; E166-E169 PolarHBondContact O-N 3.37Å |
| 167 | E | 90.1 | Very high | 90.1 | Very high | 199 Ų | 199 | 80 Ų | 80 | 93% | 0.93 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -67.3 | -11.2 | 176.7 | -60.1 | -175.7 | 163.6 | 0 | 0 | 114.1 | Q165 | Q165-E167 PolarHBondContact O-N 3.24Š|
| 168 | Q | 90.2 | Very high | 89.6 | Confident | 130 Ų | 130 | 82.1 Ų | 82.1 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -105.8 | 36 | 178.8 | -56.2 | -173.7 | 19.2 | 0 | 0 | 111.3 | Q165 E166 | Q165-Q168 HydrophobicContact CB-CB 4.37Å; Q165-Q168 HydrophobicContact CB-CG 4.49Å; Q165-Q168 WeakPolarHBondContact O-CA 3.27Å; Q165-Q168 WeakPolarHBondContact O-CB 3.18Å; Q165-Q168 PolarHBondContact O-N 3.28Å; E166-Q168 PolarHBondContact O-N 2.55Å |
| 169 | E | 92.8 | Very high | 89.5 | Confident | 93 Ų | 93 | 89.4 Ų | 89.4 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | trans | -59.4 | 139.8 | 177.9 | 76.3 | 163.8 | -116.5 | 0 | 0 | 112.8 | K157 T159 E166 I171 | K157-E169 IonicContact NZ-OE1 3.79Å; T159-E169 HydrophobicContact CG2-CB 3.8Å; T159-E169 HydrophobicContact CG2-CG 4.15Å; T159-E169 WeakPolarHBondContact CG2-OE1 3.42Å; T159-E169 WeakPolarHBondContact CG2-OE2 3.49Å; T159-E169 PolarHBondContact OG1-OE1 2.75Å; E166-E169 PolarHBondContact O-N 3.37Å; E169-I171 WeakPolarHBondContact OE1-CD1 3.37Å; E169-I171 WeakPolarHBondContact OE1-CG1 3.21Å | ||
| 170 | R | 94.5 | Very high | 89.3 | Confident | 100 Ų | 100 | 89.3 Ų | 89.3 | 38% | 0.377 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.1 | 168.5 | -62.9 | -179.5 | -177.3 | 178.4 | 1.5 | 108.1 | T159 Y160 D184 | T159-R170 CarbonylContact C-O 3.59Å; T159-R170 WeakPolarHBondContact CA-O 3.44Å; Y160-R170 HydrophobicContact CD1-CB 4.02Å; Y160-R170 WeakPolarHBondContact CD1-O 3.26Å; Y160-R170 HydrophobicContact CD2-CB 4.33Å; Y160-R170 HydrophobicContact CE1-CB 3.54Å; Y160-R170 HydrophobicContact CE2-CB 3.88Å; Y160-R170 HydrophobicContact CE2-CG 4.29Å; Y160-R170 HydrophobicContact CG-CB 4.39Å; Y160-R170 VanDerWaalsContact CZ-CB 3.46Å; Y160-R170 PolarHBondContact N-O 2.65Å; Y160-R170 PolarHBondContact O-N 2.82Å; Y160-R170 VanDerWaalsContact OH-CD 3.26Å; Y160-R170 WeakPolarHBondContact OH-CD 3.44Å; R170-D184 PolarHBondContact NH1-O 3.21Å; R170-D184 PolarHBondContact NH2-O 2.86Å |
| 171 | I | 93.6 | Very high | 89.2 | Confident | 85 Ų | 85 | 93.1 Ų | 93.1 | 44% | 0.436 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.6 | 178.5 | -58 | 169.7 | 0 | 0 | 0 | 109 | K157 I158 E169 | K157-I171 HydrophobicContact CG-CG2 3.81Å; I158-I171 WeakPolarHBondContact O-CA 3.45Å; E169-I171 WeakPolarHBondContact OE1-CD1 3.37Å; E169-I171 WeakPolarHBondContact OE1-CG1 3.21Å |
| 172 | H | 90.9 | Very high | 89.1 | Confident | 65 Ų | 65 | 91.9 Ų | 91.9 | 30% | 0.301 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.5 | 164.7 | -172.3 | 110 | 0 | 0 | 0 | 108.1 | I158 Y160 L182 | I158-H172 HydrophobicContact CB-CB 4.33Å; I158-H172 PolarHBondContact N-O 2.85Å; I158-H172 PolarHBondContact O-N 3.22Å; Y160-H172 HydrophobicContact CE1-CB 4.4Å; H172-L182 HydrophobicContact CB-CD2 4.21Å |
| 173 | N | 89.1 | Confident | 88.8 | Confident | 93 Ų | 93 | 94 Ų | 94 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 110.5 | 176 | -65 | -64.9 | 0 | 0 | 0 | 108.7 | Y156 | Y156-N173 WeakPolarHBondContact O-CA 3.37Å |
| 174 | D | 82.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 95.3 Ų | 95.3 | 6% | 0.064 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 150.3 | 178 | 176.4 | 67 | 0 | 0 | 0 | 112.6 | S155 Y156 Q176 Q177 V180 | S155-D174 VanDerWaalsContact CA-O 3.3Å; S155-D174 WeakPolarHBondContact CA-O 3.35Å; S155-D174 WeakPolarHBondContact CB-O 3.33Å; Y156-D174 PolarHBondContact N-O 3.43Å; Y156-D174 PolarHBondContact O-N 2.74Å; D174-Q176 PolarHBondContact OD2-N 3.5Å; D174-Q177 WeakPolarHBondContact OD1-CG 3.42Å; D174-Q177 WeakPolarHBondContact OD2-CA 3.37Å; D174-Q177 WeakPolarHBondContact OD2-CB 3.48Å; D174-Q177 PolarHBondContact OD2-N 3.1Å; D174-V180 HydrophobicContact CB-CG2 3.65Å |
| 175 | Y | 73.4 | Confident | 88.6 | Confident | 148 Ų | 148 | 92.7 Ų | 92.7 | 58% | 0.58 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 111 | 172 | -64.5 | -95.3 | 0 | 0 | 0 | 110.4 | Q177 | Y175-Q177 PolarHBondContact O-N 3.41Å |
| 176 | Q | 67.3 | Low | 88.5 | Confident | 152 Ų | 152 | 92 Ų | 92 | 71% | 0.71 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 71.7 | 12.7 | 168.8 | -42.5 | -178.3 | -75.8 | 0 | 0 | 117 | D174 | D174-Q176 PolarHBondContact OD2-N 3.5Š|
| 177 | Q | 75.3 | Confident | 88.5 | Confident | 112 Ų | 112 | 89.1 Ų | 89.1 | 52% | 0.523 | 42% | 0.424 | S | S | . | . | trans | -99.9 | 120.4 | 173.4 | -52.6 | -170.8 | 14.4 | 0 | 0 | 111.8 | D174 Y175 R179 V180 | D174-Q177 WeakPolarHBondContact OD1-CG 3.42Å; D174-Q177 WeakPolarHBondContact OD2-CA 3.37Å; D174-Q177 WeakPolarHBondContact OD2-CB 3.48Å; D174-Q177 PolarHBondContact OD2-N 3.1Å; Y175-Q177 PolarHBondContact O-N 3.41Å; Q177-R179 PolarHBondContact O-N 3.15Å; Q177-R179 VanDerWaalsContact O-N 3.15Å; Q177-R179 PolarHBondContact OE1-O 2.91Å; Q177-V180 HydrophobicContact CB-CG2 4.49Å | ||
| 178 | D | 85.1 | Confident | 88.6 | Confident | 95 Ų | 95 | 84.6 Ų | 84.6 | 51% | 0.508 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -70.1 | -1.5 | 170.8 | -60.9 | -19.5 | 0 | 0 | 0 | 112.6 | I137 | I137-D178 PolarHBondContact N-O 3.09Å; I137-D178 WeakPolarHBondContact O-CA 3.3Å; I137-D178 WeakPolarHBondContact O-CB 3.14Å; I137-D178 VanDerWaalsContact O-O 3.12Å |
| 179 | R | 91.9 | Very high | 88.8 | Confident | 153 Ų | 153 | 80 Ų | 80 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 124.9 | 179.9 | -64.7 | -178.8 | -177.9 | -128.9 | 3.5 | 110.4 | E134 V135 Q177 | E134-R179 WeakPolarHBondContact OE1-CD 3.45Å; E134-R179 IonicContact OE1-CZ 2.96Å; E134-R179 IonicContact OE1-NE 2.71Å; E134-R179 IonicContact OE1-NH1 2.64Å; E134-R179 PolarHBondContact OE1-NH1 2.94Å; V135-R179 WeakPolarHBondContact O-CA 3.33Å; Q177-R179 PolarHBondContact O-N 3.15Å; Q177-R179 VanDerWaalsContact O-N 3.15Å; Q177-R179 PolarHBondContact OE1-O 2.91Å |
| 180 | V | 94.1 | Very high | 89 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.2 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | V135 I158 D174 Q177 L182 | V135-V180 PolarHBondContact N-O 2.93Å; V135-V180 PolarHBondContact O-N 3.27Å; I158-V180 HydrophobicContact CD1-CB 3.75Å; I158-V180 HydrophobicContact CD1-CG1 3.91Å; I158-V180 HydrophobicContact CD1-CG2 3.67Å; D174-V180 HydrophobicContact CB-CG2 3.65Å; Q177-V180 HydrophobicContact CB-CG2 4.49Å; V180-L182 HydrophobicContact CG1-CD2 4.35Å |
| 181 | I | 93.9 | Very high | 89.2 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.8 | 173.7 | -59.2 | 175.8 | 0 | 0 | 0 | 108.2 | T132 | T132-I181 HydrophobicContact CG2-CG2 4.15Å |
| 182 | L | 94.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116.8 | 169.3 | -57.9 | 178.8 | 0 | 0 | 0 | 109.2 | T132 L133 V135 I158 Y160 H172 V180 L185 V193 | T132-L182 VanDerWaalsContact CA-O 3.29Å; T132-L182 WeakPolarHBondContact CA-O 3.35Å; T132-L182 VanDerWaalsContact CB-O 3.29Å; T132-L182 WeakPolarHBondContact CB-O 3.39Å; L133-L182 HydrophobicContact CB-CB 4.37Å; L133-L182 PolarHBondContact N-O 2.86Å; L133-L182 PolarHBondContact O-N 2.96Å; V135-L182 HydrophobicContact CG2-CD1 3.64Å; V135-L182 HydrophobicContact CG2-CG 3.84Å; I158-L182 HydrophobicContact CG2-CD1 4.46Å; I158-L182 HydrophobicContact CG2-CD2 4.48Å; Y160-L182 HydrophobicContact CD1-CD1 3.93Å; Y160-L182 HydrophobicContact CD1-CD2 4Å; Y160-L182 HydrophobicContact CD2-CD1 4.06Å; Y160-L182 HydrophobicContact CE1-CD1 4.37Å; Y160-L182 HydrophobicContact CE1-CD2 3.77Å; Y160-L182 HydrophobicContact CE2-CD1 4.49Å; Y160-L182 HydrophobicContact CG-CD1 3.76Å; H172-L182 HydrophobicContact CB-CD2 4.21Å; V180-L182 HydrophobicContact CG1-CD2 4.35Å; L182-L185 HydrophobicContact CB-CD1 4.25Å; L182-L185 HydrophobicContact CB-CD2 4.45Å; L182-V193 HydrophobicContact CD1-CG2 4.15Å |
| 183 | D | 91 | Very high | 89.7 | Confident | 92 Ų | 92 | 67 Ų | 67 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | trans | -108 | -176.7 | 178.9 | 60.8 | -18.3 | 0 | 0 | 0 | 112.3 | T132 L185 | T132-D183 HydrophobicContact CG2-CB 4.13Å; D183-L185 WeakPolarHBondContact O-CD2 3.46Å; D183-L185 WeakPolarHBondContact O-CG 3.15Å; D183-L185 PolarHBondContact O-N 3.46Å; D183-L185 VanDerWaalsContact O-N 3.08Å | ||
| 184 | D | 89.9 | Confident | 90.1 | Very high | 132 Ų | 132 | 65.3 Ų | 65.3 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 45.7 | 42.3 | -174.9 | -72.7 | -11.8 | 0 | 0 | 0 | 114.4 | R170 | R170-D184 PolarHBondContact NH1-O 3.21Å; R170-D184 PolarHBondContact NH2-O 2.86Å |
| 185 | L | 93.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 156.4 | 171.3 | -47.3 | -177.1 | 0 | 0 | 0 | 110.5 | Q131 L133 Y160 L182 D183 Y191 T214 | Q131-L185 WeakPolarHBondContact CG-O 3.26Å; Q131-L185 PolarHBondContact NE2-O 3.18Å; Q131-L185 WeakPolarHBondContact O-CB 3.4Å; L133-L185 HydrophobicContact CB-CD1 3.67Å; Y160-L185 HydrophobicContact CD2-CD2 4.17Å; Y160-L185 HydrophobicContact CE2-CD2 3.6Å; L182-L185 HydrophobicContact CB-CD1 4.25Å; L182-L185 HydrophobicContact CB-CD2 4.45Å; D183-L185 WeakPolarHBondContact O-CD2 3.46Å; D183-L185 WeakPolarHBondContact O-CG 3.15Å; D183-L185 PolarHBondContact O-N 3.46Å; D183-L185 VanDerWaalsContact O-N 3.08Å; L185-Y191 WeakPolarHBondContact CA-OH 3.43Å; L185-Y191 HydrophobicContact CB-CD2 4.37Å; L185-Y191 HydrophobicContact CB-CE1 4.48Å; L185-Y191 HydrophobicContact CB-CE2 3.68Å; L185-Y191 HydrophobicContact CD1-CD2 4.38Å; L185-Y191 HydrophobicContact CD1-CE2 4.47Å; L185-Y191 HydrophobicContact CD2-CD1 4.17Å; L185-Y191 HydrophobicContact CD2-CE1 3.74Å; L185-Y191 HydrophobicContact CD2-CE2 4.37Å; L185-Y191 HydrophobicContact CG-CE2 4.39Å; L185-T214 HydrophobicContact CB-CG2 4.05Å; L185-T214 HydrophobicContact CD1-CG2 3.79Å |
| 186 | D | 92.7 | Very high | 91.7 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 141.4 | 170.8 | -68.1 | 19.8 | 0 | 0 | 0 | 109.8 | K162 T189 Y191 T214 | K162-D186 WeakPolarHBondContact CE-OD2 3.02Å; K162-D186 IonicContact NZ-OD1 3.73Å; K162-D186 PolarHBondContact NZ-OD1 2.95Å; K162-D186 IonicContact NZ-OD2 3.41Å; K162-D186 PolarHBondContact NZ-OD2 3.16Å; D186-T189 HydrophobicContact CB-CG2 4.21Å; D186-T189 VanDerWaalsContact CB-OG1 3.27Å; D186-T189 WeakPolarHBondContact CB-OG1 3.49Å; D186-Y191 PolarHBondContact N-OH 3.35Å; D186-T214 PolarHBondContact O-OG1 2.79Å |
| 187 | P | 92.1 | Very high | 92.8 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 150.8 | 174.8 | 31.8 | -35.1 | 0 | 0 | 0 | 111.8 | Q131 T189 G215 | Q131-P187 HydrophobicContact CG-CB 4.34Å; P187-T189 PolarHBondContact O-N 2.76Å; P187-T189 VanDerWaalsContact O-N 3.1Å; P187-T189 PolarHBondContact O-OG1 2.99Å; P187-G215 WeakPolarHBondContact CA-O 3.38Å; P187-G215 WeakPolarHBondContact CB-O 3.27Å |
| 188 | L | 92.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 14.7 | -177.5 | -58 | 175.7 | 0 | 0 | 0 | 115.4 | R213 T214 G215 D216 | L188-R213 WeakPolarHBondContact O-CD 3.11Å; L188-R213 PolarHBondContact O-NE 2.92Å; L188-T214 WeakPolarHBondContact CA-O 3.02Å; L188-T214 PolarHBondContact N-O 3.3Å; L188-T214 PolarHBondContact N-OG1 3.18Å; L188-T214 VanDerWaalsContact N-OG1 3.08Å; L188-G215 PolarHBondContact N-O 3.05Å; L188-G215 VanDerWaalsContact N-O 3.12Å; L188-D216 HydrophobicContact CD1-CB 4.38Å; L188-D216 HydrophobicContact CD2-CB 4.1Å; L188-D216 HydrophobicContact CG-CB 4.17Å |
| 189 | T | 94.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | trans | -100 | 141 | -176.8 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | K162 D186 P187 Y191 R213 T214 | K162-T189 HydrophobicContact CB-CG2 4.46Å; K162-T189 HydrophobicContact CD-CG2 4.1Å; K162-T189 HydrophobicContact CG-CG2 3.95Å; D186-T189 HydrophobicContact CB-CG2 4.21Å; D186-T189 VanDerWaalsContact CB-OG1 3.27Å; D186-T189 WeakPolarHBondContact CB-OG1 3.49Å; P187-T189 PolarHBondContact O-N 2.76Å; P187-T189 VanDerWaalsContact O-N 3.1Å; P187-T189 PolarHBondContact O-OG1 2.99Å; T189-Y191 HydrophobicContact CG2-CD2 3.98Å; T189-Y191 HydrophobicContact CG2-CE2 3.57Å; T189-R213 WeakPolarHBondContact O-CA 3.33Å; T189-T214 PolarHBondContact N-OG1 2.03Å; T189-T214 PolarHBondContact O-N 3.47Å; T189-T214 PolarHBondContact O-OG1 3.17Å | ||
| 190 | K | 97.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.9 | 176.2 | -173.7 | 168.9 | 163.1 | -154.6 | 0 | 110.1 | E163 C211 E212 R213 | E163-K190 HydrophobicContact CB-CB 4.39Å; E163-K190 HydrophobicContact CB-CG 4.41Å; E163-K190 PolarHBondContact N-O 3.09Å; E163-K190 VanDerWaalsContact OE1-CE 3.32Å; E163-K190 WeakPolarHBondContact OE1-CE 3.14Å; E163-K190 IonicContact OE1-NZ 2.64Å; E163-K190 PolarHBondContact OE1-NZ 3.49Å; E163-K190 WeakPolarHBondContact OE2-CD 3.35Å; E163-K190 IonicContact OE2-NZ 3.76Å; K190-C211 HydrophobicContact CG-CB 4.36Å; K190-E212 WeakPolarHBondContact CA-O 3.19Å; K190-R213 HydrophobicContact CB-CB 4.46Å |
| 191 | Y | 97.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144 | 176 | -78.9 | -96.3 | 0 | 0 | 0 | 109.8 | Y160 W161 K162 L185 D186 T189 C211 E212 T214 | Y160-Y191 HydrophobicContact CD2-CD1 4.2Å; Y160-Y191 HydrophobicContact CD2-CE1 4.5Å; W161-Y191 CarbonylContact O-C 3.56Å; W161-Y191 VanDerWaalsContact O-CA 3.25Å; W161-Y191 WeakPolarHBondContact O-CA 3.49Å; W161-Y191 WeakPolarHBondContact O-CD1 3.11Å; K162-Y191 WeakPolarHBondContact CE-OH 3.47Å; K162-Y191 HydrophobicContact CG-CD1 4.06Å; K162-Y191 HydrophobicContact CG-CE1 3.51Å; K162-Y191 HydrophobicContact CG-CE2 4.21Å; L185-Y191 WeakPolarHBondContact CA-OH 3.43Å; L185-Y191 HydrophobicContact CB-CD2 4.37Å; L185-Y191 HydrophobicContact CB-CE1 4.48Å; L185-Y191 HydrophobicContact CB-CE2 3.68Å; L185-Y191 HydrophobicContact CD1-CD2 4.38Å; L185-Y191 HydrophobicContact CD1-CE2 4.47Å; L185-Y191 HydrophobicContact CD2-CD1 4.17Å; L185-Y191 HydrophobicContact CD2-CE1 3.74Å; L185-Y191 HydrophobicContact CD2-CE2 4.37Å; L185-Y191 HydrophobicContact CG-CE2 4.39Å; D186-Y191 PolarHBondContact N-OH 3.35Å; T189-Y191 HydrophobicContact CG2-CD2 3.98Å; T189-Y191 HydrophobicContact CG2-CE2 3.57Å; Y191-C211 CarbonylContact O-C 3.57Å; Y191-C211 WeakPolarHBondContact O-CA 3.35Å; Y191-C211 WeakPolarHBondContact O-CB 3.48Å; Y191-E212 PolarHBondContact N-O 2.91Å; Y191-E212 PolarHBondContact O-N 3.14Å; Y191-T214 HydrophobicContact CD2-CG2 4.08Å; Y191-T214 HydrophobicContact CE2-CG2 4.32Å |
| 192 | C | 97.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142 | 170.2 | -70.5 | 0 | 0 | 0 | 0 | 109.3 | Y160 W161 V209 L210 C211 | Y160-C192 CarbonylContact C-O 3.59Å; Y160-C192 WeakPolarHBondContact CA-O 3.43Å; Y160-C192 WeakPolarHBondContact CB-O 3Å; W161-C192 HydrophobicContact CD2-CB 4.03Å; W161-C192 HydrophobicContact CG-CB 4.46Å; W161-C192 HydrophobicContact CH2-CB 4.42Å; W161-C192 HydrophobicContact CZ2-CB 3.77Å; W161-C192 PolarHBondContact N-O 2.98Å; W161-C192 PolarHBondContact O-N 3.34Å; C192-V209 HydrophobicContact CB-CG1 3.76Å; C192-L210 WeakPolarHBondContact CA-O 3.44Å; C192-C211 VanDerWaalsContact CA-SG 3.56Å; C192-C211 HydrophobicContact CB-CB 4.01Å; C192-C211 WeakPolarHBondContact CB-SG 3.44Å; C192-C211 WeakPolarHBondContact SG-CB 3.46Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 2.88Å |
| 193 | V | 97.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.4 | -175.9 | -174 | 0 | 0 | 0 | 0 | 109.1 | L126 L133 V135 I158 T159 L182 V195 L210 | L126-V193 HydrophobicContact CD1-CB 4.22Å; L126-V193 HydrophobicContact CD1-CG2 3.97Å; L126-V193 HydrophobicContact CD2-CB 4.03Å; L126-V193 HydrophobicContact CD2-CG1 4.3Å; L126-V193 HydrophobicContact CD2-CG2 3.85Å; L133-V193 HydrophobicContact CD2-CG2 3.87Å; V135-V193 HydrophobicContact CG1-CG1 4.37Å; V135-V193 HydrophobicContact CG2-CG1 4.24Å; I158-V193 HydrophobicContact CG2-CG1 3.72Å; T159-V193 WeakPolarHBondContact O-CA 3.36Å; L182-V193 HydrophobicContact CD1-CG2 4.15Å; V193-V195 HydrophobicContact CG1-CG2 4.42Å; V193-L210 PolarHBondContact N-O 3.4Å; V193-L210 PolarHBondContact O-N 3.33Å |
| 194 | Q | 96.8 | Very high | 88.7 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134.9 | 172.3 | -170 | 173.6 | 37.2 | 0 | 0 | 109.6 | T159 W161 S207 V209 | T159-Q194 PolarHBondContact N-O 3.18Å; T159-Q194 PolarHBondContact O-N 3.27Å; W161-Q194 HydrophobicContact CH2-CB 4.18Å; W161-Q194 HydrophobicContact CZ3-CB 4.1Å; Q194-S207 WeakPolarHBondContact CG-O 3.45Å; Q194-S207 PolarHBondContact NE2-O 3.16Å; Q194-V209 HydrophobicContact CB-CG2 4.37Å; Q194-V209 HydrophobicContact CG-CG2 4.45Å |
| 195 | V | 95.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.2 | -178.7 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | P122 V124 V135 I137 Y156 K157 I158 V193 S207 | P122-V195 HydrophobicContact CG-CB 4.27Å; P122-V195 HydrophobicContact CG-CG1 3.87Å; V124-V195 HydrophobicContact CB-CG2 4.47Å; V124-V195 HydrophobicContact CG1-CG2 3.95Å; V124-V195 HydrophobicContact CG2-CB 3.73Å; V124-V195 HydrophobicContact CG2-CG2 3.61Å; V135-V195 HydrophobicContact CG1-CG2 4.21Å; I137-V195 HydrophobicContact CD1-CG1 4.05Å; I137-V195 HydrophobicContact CD1-CG2 4.4Å; I137-V195 HydrophobicContact CG2-CG1 4.41Å; Y156-V195 HydrophobicContact CD1-CG1 3.81Å; Y156-V195 HydrophobicContact CG-CG1 4.22Å; K157-V195 WeakPolarHBondContact O-CA 3.46Å; I158-V195 HydrophobicContact CG1-CG1 4.28Å; I158-V195 HydrophobicContact CG1-CG2 4.21Å; I158-V195 HydrophobicContact CG2-CG2 4.37Å; V193-V195 HydrophobicContact CG1-CG2 4.42Å; V195-S207 PolarHBondContact N-OG 3.28Å; V195-S207 WeakPolarHBondContact O-CB 3.42Å; V195-S207 PolarHBondContact O-N 3.38Å; V195-S207 PolarHBondContact O-OG 2.86Å |
| 196 | Q | 93.7 | Very high | 88.8 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.3 | 174.1 | -170.2 | 178.8 | 26 | 0 | 0 | 109.2 | K157 I198 T204 | K157-Q196 HydrophobicContact CB-CB 4.37Å; K157-Q196 PolarHBondContact N-O 3.46Å; K157-Q196 PolarHBondContact O-N 3.07Å; Q196-I198 HydrophobicContact CG-CD1 4.07Å; Q196-T204 PolarHBondContact NE2-O 2.85Å |
| 197 | L | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 133.1 | 174.6 | -167.8 | 157.4 | 0 | 0 | 0 | 108.5 | P140 L147 V154 Y156 T199 T204 | P140-L197 HydrophobicContact CG-CD1 4.25Å; L147-L197 HydrophobicContact CD1-CD1 3.55Å; L147-L197 HydrophobicContact CD1-CD2 4.41Å; L147-L197 HydrophobicContact CD2-CD1 4.34Å; V154-L197 HydrophobicContact CG1-CD1 4.18Å; V154-L197 HydrophobicContact CG1-CD2 3.71Å; V154-L197 HydrophobicContact CG1-CG 3.78Å; Y156-L197 HydrophobicContact CD1-CB 4.3Å; Y156-L197 HydrophobicContact CD1-CG 4.42Å; Y156-L197 HydrophobicContact CE1-CB 3.92Å; Y156-L197 HydrophobicContact CE1-CD1 3.83Å; Y156-L197 HydrophobicContact CE1-CG 3.8Å; L197-T199 HydrophobicContact CD2-CG2 3.5Å; L197-T204 HydrophobicContact CB-CG2 4.13Å; L197-T204 WeakPolarHBondContact CB-OG1 3.46Å; L197-T204 HydrophobicContact CD2-CG2 3.91Å; L197-T204 PolarHBondContact N-OG1 2.77Å; L197-T204 WeakPolarHBondContact O-CG2 3.42Å; L197-T204 PolarHBondContact O-N 3.48Å; L197-T204 VanDerWaalsContact O-N 3.16Å; L197-T204 PolarHBondContact O-OG1 2.85Å |
| 198 | I | 89.3 | Confident | 89.1 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.8 | -179 | -53.7 | -62.6 | 0 | 0 | 0 | 108.8 | V154 S155 K157 Q196 P203 | V154-I198 WeakPolarHBondContact CA-O 3.45Å; S155-I198 PolarHBondContact N-O 3.38Å; S155-I198 VanDerWaalsContact N-O 3.15Å; S155-I198 PolarHBondContact O-N 2.78Å; K157-I198 HydrophobicContact CB-CD1 4.39Å; K157-I198 HydrophobicContact CB-CG1 4.09Å; Q196-I198 HydrophobicContact CG-CD1 4.07Å; I198-P203 HydrophobicContact CD1-CB 3.99Å |
| 199 | T | 85.8 | Confident | 89.3 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | trans | -112.5 | 176.5 | 171.6 | 76.9 | 0 | 0 | 0 | 0 | 110.5 | I119 Y151 V154 L197 T201 N202 | I119-T199 HydrophobicContact CD1-CG2 3.81Å; Y151-T199 HydrophobicContact CD1-CG2 4.48Å; Y151-T199 HydrophobicContact CG-CG2 4.28Å; V154-T199 HydrophobicContact CG2-CG2 4.36Å; L197-T199 HydrophobicContact CD2-CG2 3.5Å; T199-T201 VanDerWaalsContact C-N 3.27Å; T199-T201 PolarHBondContact O-N 3Å; T199-T201 PolarHBondContact OG1-N 3.39Å; T199-T201 VanDerWaalsContact OG1-N 3.12Å; T199-T201 PolarHBondContact OG1-OG1 2.82Å; T199-N202 PolarHBondContact OG1-N 2.81Å; T199-N202 PolarHBondContact OG1-O 2.86Å | ||
| 200 | L | 79.8 | Confident | 89.5 | Confident | 134 Ų | 134 | 47.7 Ų | 47.7 | 70% | 0.702 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -72.4 | -15.6 | 172.1 | -59.6 | 177.5 | 0 | 0 | 0 | 114.1 | I153 | I153-L200 HydrophobicContact CB-CD1 4.29Å; I153-L200 HydrophobicContact CB-CD2 4.31Å; I153-L200 HydrophobicContact CB-CG 4.23Å; I153-L200 HydrophobicContact CD1-CD1 4.34Å; I153-L200 HydrophobicContact CG2-CD2 4.29Å |
| 201 | T | 69.5 | Low | 89.5 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -98 | -35.3 | -171.1 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | T199 | T199-T201 VanDerWaalsContact C-N 3.27Å; T199-T201 PolarHBondContact O-N 3Å; T199-T201 PolarHBondContact OG1-N 3.39Å; T199-T201 VanDerWaalsContact OG1-N 3.12Å; T199-T201 PolarHBondContact OG1-OG1 2.82Å |
| 202 | N | 61.9 | Low | 89.5 | Confident | 123 Ų | 123 | 50.4 Ų | 50.4 | 66% | 0.658 | 29% | 0.293 | S | S | * | . | trans | -171.5 | 160.5 | 166.7 | -96.5 | -46.7 | 0 | 0 | 0 | 110.3 | T199 | T199-N202 PolarHBondContact OG1-N 2.81Å; T199-N202 PolarHBondContact OG1-O 2.86Å | ||
| 203 | P | 67.1 | Low | 89.4 | Confident | 79 Ų | 79 | 56.1 Ų | 56.1 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 137.9 | 165.4 | 30 | -34.2 | 0 | 0 | 0 | 110.5 | I198 | I198-P203 HydrophobicContact CD1-CB 3.99Å |
| 204 | T | 85.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 178.8 | -177.6 | 71.5 | 0 | 0 | 0 | 0 | 112.9 | I119 Q196 L197 | I119-T204 HydrophobicContact CB-CG2 3.77Å; I119-T204 HydrophobicContact CD1-CG2 4.28Å; I119-T204 HydrophobicContact CG2-CG2 3.93Å; Q196-T204 PolarHBondContact NE2-O 2.85Å; L197-T204 HydrophobicContact CB-CG2 4.13Å; L197-T204 WeakPolarHBondContact CB-OG1 3.46Å; L197-T204 HydrophobicContact CD2-CG2 3.91Å; L197-T204 PolarHBondContact N-OG1 2.77Å; L197-T204 WeakPolarHBondContact O-CG2 3.42Å; L197-T204 PolarHBondContact O-N 3.48Å; L197-T204 VanDerWaalsContact O-N 3.16Å; L197-T204 PolarHBondContact O-OG1 2.85Å |
| 205 | E | 91.6 | Very high | 88.9 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 140.4 | 160.5 | -66.9 | 169.3 | 168.2 | 0 | 0 | 110.2 | R34 | R34-E205 IonicContact CZ-OE1 3.77Å; R34-E205 IonicContact CZ-OE2 2.68Å; R34-E205 IonicContact NH1-OE1 3.89Å; R34-E205 IonicContact NH1-OE2 3.53Å; R34-E205 PolarHBondContact NH1-OE2 2.99Å; R34-E205 VanDerWaalsContact NH2-CD 3.35Å; R34-E205 IonicContact NH2-OE1 2.65Å; R34-E205 PolarHBondContact NH2-OE1 3.36Å; R34-E205 IonicContact NH2-OE2 2.75Å; R34-E205 PolarHBondContact NH2-OE2 3.45Å |
| 206 | S | 93.8 | Very high | 88.3 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 153.2 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 207 | S | 96.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 164.4 | 171.8 | 77 | 0 | 0 | 0 | 0 | 111.9 | Q194 V195 | Q194-S207 WeakPolarHBondContact CG-O 3.45Å; Q194-S207 PolarHBondContact NE2-O 3.16Å; V195-S207 PolarHBondContact N-OG 3.28Å; V195-S207 WeakPolarHBondContact O-CB 3.42Å; V195-S207 PolarHBondContact O-N 3.38Å; V195-S207 PolarHBondContact O-OG 2.86Å |
| 208 | G | 96.1 | Very high | 85.7 | Confident | 65 Ų | 65 | 66 Ų | 66 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 150.2 | 159 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 209 | V | 96.8 | Very high | 84.3 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 123.9 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | W161 C192 Q194 | W161-V209 HydrophobicContact CH2-CB 4.43Å; W161-V209 HydrophobicContact CH2-CG1 3.65Å; W161-V209 HydrophobicContact CH2-CG2 3.85Å; W161-V209 HydrophobicContact CZ2-CG1 3.62Å; W161-V209 HydrophobicContact CZ2-CG2 4.22Å; C192-V209 HydrophobicContact CB-CG1 3.76Å; Q194-V209 HydrophobicContact CB-CG2 4.37Å; Q194-V209 HydrophobicContact CG-CG2 4.45Å |
| 210 | L | 97.4 | Very high | 83.3 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.6 | 174.5 | -172.8 | 57.1 | 0 | 0 | 0 | 108.5 | L126 C192 V193 | L126-L210 HydrophobicContact CB-CD2 4.5Å; L126-L210 HydrophobicContact CD1-CB 4.09Å; L126-L210 HydrophobicContact CD1-CD2 4.3Å; L126-L210 HydrophobicContact CD1-CG 3.85Å; L126-L210 WeakPolarHBondContact CD1-O 3.44Å; L126-L210 HydrophobicContact CG-CB 4.48Å; L126-L210 HydrophobicContact CG-CD2 3.96Å; L126-L210 HydrophobicContact CG-CG 4.08Å; C192-L210 WeakPolarHBondContact CA-O 3.44Å; V193-L210 PolarHBondContact N-O 3.4Å; V193-L210 PolarHBondContact O-N 3.33Å |
| 211 | C | 97.3 | Very high | 82.8 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 28% | 0.277 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.2 | -174.6 | -46.4 | 0 | 0 | 0 | 0 | 112.2 | K190 Y191 C192 | K190-C211 HydrophobicContact CG-CB 4.36Å; Y191-C211 CarbonylContact O-C 3.57Å; Y191-C211 WeakPolarHBondContact O-CA 3.35Å; Y191-C211 WeakPolarHBondContact O-CB 3.48Å; C192-C211 VanDerWaalsContact CA-SG 3.56Å; C192-C211 HydrophobicContact CB-CB 4.01Å; C192-C211 WeakPolarHBondContact CB-SG 3.44Å; C192-C211 WeakPolarHBondContact SG-CB 3.46Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 2.88Å |
| 212 | E | 97.5 | Very high | 83.1 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 154 | -175.6 | -174.6 | 54.4 | -79.4 | 0 | 0 | 111 | L126 P128 L133 K190 Y191 | L126-E212 HydrophobicContact CB-CB 4.1Å; L126-E212 HydrophobicContact CD1-CB 3.95Å; P128-E212 HydrophobicContact CB-CG 4.28Å; P128-E212 HydrophobicContact CG-CG 3.86Å; L133-E212 HydrophobicContact CD1-CB 4.16Å; L133-E212 HydrophobicContact CD1-CG 4.15Å; K190-E212 WeakPolarHBondContact CA-O 3.19Å; Y191-E212 PolarHBondContact N-O 2.91Å; Y191-E212 PolarHBondContact O-N 3.14Å |
| 213 | R | 96.3 | Very high | 83.7 | Confident | 128 Ų | 128 | 70 Ų | 70 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.8 | 178.9 | 167.9 | 168.4 | -83.7 | 106.7 | -0.5 | 111.2 | P128 L188 T189 K190 | P128-R213 WeakPolarHBondContact CB-O 3.36Å; L188-R213 WeakPolarHBondContact O-CD 3.11Å; L188-R213 PolarHBondContact O-NE 2.92Å; T189-R213 WeakPolarHBondContact O-CA 3.33Å; K190-R213 HydrophobicContact CB-CB 4.46Å |
| 214 | T | 94.7 | Very high | 84.3 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 40% | 0.404 | C | S | . | . | trans | -61.4 | 147.3 | 169.4 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | L185 D186 L188 T189 Y191 | L185-T214 HydrophobicContact CB-CG2 4.05Å; L185-T214 HydrophobicContact CD1-CG2 3.79Å; D186-T214 PolarHBondContact O-OG1 2.79Å; L188-T214 WeakPolarHBondContact CA-O 3.02Å; L188-T214 PolarHBondContact N-O 3.3Å; L188-T214 PolarHBondContact N-OG1 3.18Å; L188-T214 VanDerWaalsContact N-OG1 3.08Å; T189-T214 PolarHBondContact N-OG1 2.03Å; T189-T214 PolarHBondContact O-N 3.47Å; T189-T214 PolarHBondContact O-OG1 3.17Å; Y191-T214 HydrophobicContact CD2-CG2 4.08Å; Y191-T214 HydrophobicContact CE2-CG2 4.32Å | ||
| 215 | G | 88.6 | Confident | 84.3 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | trans | -74.9 | -171.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G130 P187 L188 | G130-G215 VanDerWaalsContact O-CA 3.31Å; G130-G215 WeakPolarHBondContact O-CA 3.4Å; G130-G215 PolarHBondContact O-N 3.49Å; P187-G215 WeakPolarHBondContact CA-O 3.38Å; P187-G215 WeakPolarHBondContact CB-O 3.27Å; L188-G215 PolarHBondContact N-O 3.05Å; L188-G215 VanDerWaalsContact N-O 3.12Å | ||
| 216 | D | 83.6 | Confident | 84.1 | Confident | 55 Ų | 55 | 71 Ų | 71 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | trans | -103.3 | 136 | 173.1 | 175.7 | 43.3 | 0 | 0 | 0 | 111.5 | L188 K218 N219 | L188-D216 HydrophobicContact CD1-CB 4.38Å; L188-D216 HydrophobicContact CD2-CB 4.1Å; L188-D216 HydrophobicContact CG-CB 4.17Å; D216-K218 WeakPolarHBondContact OD1-CB 3.22Å; D216-K218 PolarHBondContact OD1-N 2.93Å; D216-N219 PolarHBondContact OD2-N 2.83Å; D216-N219 PolarHBondContact OD2-ND2 2.88Å | ||
| 217 | T | 70.2 | Confident | 83.9 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 32% | 0.319 | 44% | 0.436 | S | S | . | . | trans | -102.3 | -16.4 | 174.2 | 39.2 | 0 | 0 | 0 | 0 | 113.5 | Q131 N219 S220 | Q131-T217 HydrophobicContact CB-CG2 3.4Å; Q131-T217 VanDerWaalsContact CB-CG2 3.4Å; Q131-T217 PolarHBondContact OE1-OG1 2.69Å; T217-N219 PolarHBondContact O-N 3.12Å; T217-S220 WeakPolarHBondContact O-CB 3.49Å; T217-S220 PolarHBondContact O-N 3.16Å | ||
| 218 | K | 60.8 | Low | 83.7 | Confident | 174 Ų | 174 | 75.5 Ų | 75.5 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.3 | -174.6 | -66.6 | 177.3 | 178.1 | 173.5 | 0 | 112.8 | D216 | D216-K218 WeakPolarHBondContact OD1-CB 3.22Å; D216-K218 PolarHBondContact OD1-N 2.93Å |
| 219 | N | 58.5 | Low | 83.6 | Confident | 136 Ų | 136 | 76.3 Ų | 76.3 | 73% | 0.727 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 21.1 | 174.2 | -69.8 | -70.9 | 0 | 0 | 0 | 114.3 | D216 T217 P221 | D216-N219 PolarHBondContact OD2-N 2.83Å; D216-N219 PolarHBondContact OD2-ND2 2.88Å; T217-N219 PolarHBondContact O-N 3.12Å; N219-P221 VanDerWaalsContact O-CD 3.31Å; N219-P221 WeakPolarHBondContact O-CD 3.21Å; N219-P221 VanDerWaalsContact O-N 3.12Å |
| 220 | S | 66.3 | Low | 83.5 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | trans | -57.6 | 115 | 174 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | T217 V222 V223 A224 | T217-S220 WeakPolarHBondContact O-CB 3.49Å; T217-S220 PolarHBondContact O-N 3.16Å; S220-V222 PolarHBondContact O-N 2.96Å; S220-V222 VanDerWaalsContact O-N 3.16Å; S220-V223 PolarHBondContact O-N 3.12Å; S220-V223 VanDerWaalsContact O-N 3.07Å; S220-A224 PolarHBondContact O-N 3.18Å | ||
| 221 | P | 69.3 | Low | 83.5 | Confident | 101 Ų | 101 | 76.5 Ų | 76.5 | 66% | 0.656 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.6 | -22.7 | -174.7 | 27.1 | -34.8 | 0 | 0 | 0 | 112 | N219 A225 | N219-P221 VanDerWaalsContact O-CD 3.31Å; N219-P221 WeakPolarHBondContact O-CD 3.21Å; N219-P221 VanDerWaalsContact O-N 3.12Å; P221-A225 WeakPolarHBondContact O-CB 3.28Å; P221-A225 PolarHBondContact O-N 3.44Å |
| 222 | V | 74.1 | Confident | 83.4 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 61% | 0.612 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 174 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | S220 A225 V226 | S220-V222 PolarHBondContact O-N 2.96Å; S220-V222 VanDerWaalsContact O-N 3.16Å; V222-A225 PolarHBondContact O-N 3.47Å; V222-V226 WeakPolarHBondContact O-CB 3.02Å; V222-V226 VanDerWaalsContact O-CG2 3.29Å; V222-V226 WeakPolarHBondContact O-CG2 3.04Å; V222-V226 PolarHBondContact O-N 3.26Å |
| 223 | V | 75.4 | Confident | 83.2 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | S220 A225 V226 I227 | S220-V223 PolarHBondContact O-N 3.12Å; S220-V223 VanDerWaalsContact O-N 3.07Å; V223-A225 VanDerWaalsContact C-N 3.35Å; V223-A225 PolarHBondContact O-N 3.34Å; V223-V226 PolarHBondContact O-N 3.44Å; V223-I227 HydrophobicContact CG1-CD1 3.97Å; V223-I227 WeakPolarHBondContact O-CG1 3.2Å; V223-I227 PolarHBondContact O-N 2.88Å |
| 224 | A | 80.6 | Confident | 83.2 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 51% | 0.512 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S220 I227 A228 | S220-A224 PolarHBondContact O-N 3.18Å; A224-I227 PolarHBondContact O-N 3.48Å; A224-A228 WeakPolarHBondContact O-CB 3.34Å; A224-A228 PolarHBondContact O-N 2.84Å |
| 225 | A | 85.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P221 V222 V223 A228 C229 | P221-A225 WeakPolarHBondContact O-CB 3.28Å; P221-A225 PolarHBondContact O-N 3.44Å; V222-A225 PolarHBondContact O-N 3.47Å; V223-A225 VanDerWaalsContact C-N 3.35Å; V223-A225 PolarHBondContact O-N 3.34Å; A225-A228 PolarHBondContact O-N 3.47Å; A225-C229 VanDerWaalsContact O-CB 3.31Å; A225-C229 WeakPolarHBondContact O-CB 3.32Å; A225-C229 PolarHBondContact O-N 2.82Å; A225-C229 PolarHBondContact O-SG 2.98Å |
| 226 | V | 87.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 58% | 0.582 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 175.8 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | V222 V223 C229 A230 | V222-V226 WeakPolarHBondContact O-CB 3.02Å; V222-V226 VanDerWaalsContact O-CG2 3.29Å; V222-V226 WeakPolarHBondContact O-CG2 3.04Å; V222-V226 PolarHBondContact O-N 3.26Å; V223-V226 PolarHBondContact O-N 3.44Å; V226-C229 PolarHBondContact O-N 3.38Å; V226-A230 WeakPolarHBondContact O-CB 3.31Å; V226-A230 PolarHBondContact O-N 3.17Å |
| 227 | I | 89.3 | Confident | 83.8 | Confident | 103 Ų | 103 | 82.4 Ų | 82.4 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.1 | -66.7 | 166.8 | 0 | 0 | 0 | 110.6 | V223 A224 C229 A230 V231 | V223-I227 HydrophobicContact CG1-CD1 3.97Å; V223-I227 WeakPolarHBondContact O-CG1 3.2Å; V223-I227 PolarHBondContact O-N 2.88Å; A224-I227 PolarHBondContact O-N 3.48Å; I227-C229 PolarHBondContact O-N 2.87Å; I227-A230 PolarHBondContact O-N 3.13Å; I227-V231 WeakPolarHBondContact O-CG2 3.39Å; I227-V231 PolarHBondContact O-N 3Å |
| 228 | A | 92.8 | Very high | 84.9 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A224 A225 A230 V231 I232 | A224-A228 WeakPolarHBondContact O-CB 3.34Å; A224-A228 PolarHBondContact O-N 2.84Å; A225-A228 PolarHBondContact O-N 3.47Å; A228-A230 VanDerWaalsContact C-N 3.35Å; A228-A230 PolarHBondContact O-N 2.04Å; A228-V231 PolarHBondContact O-N 2.96Å; A228-I232 WeakPolarHBondContact O-CB 3.43Å; A228-I232 WeakPolarHBondContact O-CD1 3.09Å; A228-I232 VanDerWaalsContact O-CG1 3.26Å; A228-I232 WeakPolarHBondContact O-CG1 3.44Å; A228-I232 PolarHBondContact O-N 3.22Å |
| 229 | C | 93.6 | Very high | 86.2 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 55% | 0.554 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 175.7 | -74.8 | 0 | 0 | 0 | 0 | 112.3 | A225 V226 I227 I232 A233 | A225-C229 VanDerWaalsContact O-CB 3.31Å; A225-C229 WeakPolarHBondContact O-CB 3.32Å; A225-C229 PolarHBondContact O-N 2.82Å; A225-C229 PolarHBondContact O-SG 2.98Å; V226-C229 PolarHBondContact O-N 3.38Å; I227-C229 PolarHBondContact O-N 2.87Å; C229-I232 PolarHBondContact O-N 3.39Å; C229-A233 WeakPolarHBondContact O-CB 3.41Å; C229-A233 PolarHBondContact O-N 3.04Å |
| 230 | A | 94.9 | Very high | 87.6 | Confident | 55 Ų | 55 | 77 Ų | 77 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V226 I227 A228 I232 A233 V234 | V226-A230 WeakPolarHBondContact O-CB 3.31Å; V226-A230 PolarHBondContact O-N 3.17Å; I227-A230 PolarHBondContact O-N 3.13Å; A228-A230 VanDerWaalsContact C-N 3.35Å; A228-A230 PolarHBondContact O-N 2.04Å; A230-I232 PolarHBondContact O-N 2.87Å; A230-A233 PolarHBondContact O-N 3.17Å; A230-V234 WeakPolarHBondContact O-CG2 3.38Å; A230-V234 PolarHBondContact O-N 3.1Å |
| 231 | V | 95.8 | Very high | 88.6 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | I227 A228 V234 A235 | I227-V231 WeakPolarHBondContact O-CG2 3.39Å; I227-V231 PolarHBondContact O-N 3Å; A228-V231 PolarHBondContact O-N 2.96Å; V231-V234 PolarHBondContact O-N 3.2Å; V231-A235 WeakPolarHBondContact O-CB 3.2Å; V231-A235 PolarHBondContact O-N 3.14Å |
| 232 | I | 95.2 | Very high | 89.5 | Confident | 107 Ų | 107 | 76.1 Ų | 76.1 | 55% | 0.549 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.2 | -68.5 | 163.8 | 0 | 0 | 0 | 110.8 | A228 C229 A230 V234 A235 V236 | A228-I232 WeakPolarHBondContact O-CB 3.43Å; A228-I232 WeakPolarHBondContact O-CD1 3.09Å; A228-I232 VanDerWaalsContact O-CG1 3.26Å; A228-I232 WeakPolarHBondContact O-CG1 3.44Å; A228-I232 PolarHBondContact O-N 3.22Å; C229-I232 PolarHBondContact O-N 3.39Å; A230-I232 PolarHBondContact O-N 2.87Å; I232-V234 PolarHBondContact O-N 3.31Å; I232-A235 PolarHBondContact O-N 2.94Å; I232-V236 HydrophobicContact CG2-CG2 4.48Å; I232-V236 WeakPolarHBondContact O-CG2 3.49Å; I232-V236 PolarHBondContact O-N 2.94Å |
| 233 | A | 95.2 | Very high | 90.1 | Very high | 59 Ų | 59 | 75.9 Ų | 75.9 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C229 A230 V236 A237 | C229-A233 WeakPolarHBondContact O-CB 3.41Å; C229-A233 PolarHBondContact O-N 3.04Å; A230-A233 PolarHBondContact O-N 3.17Å; A233-V236 PolarHBondContact O-N 2.84Å; A233-A237 VanDerWaalsContact O-CB 3.27Å; A233-A237 WeakPolarHBondContact O-CB 3.29Å; A233-A237 PolarHBondContact O-N 3.43Å |
| 234 | V | 95.8 | Very high | 90.6 | Very high | 94 Ų | 94 | 76.3 Ų | 76.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A230 V231 I232 V236 A237 V238 | A230-V234 WeakPolarHBondContact O-CG2 3.38Å; A230-V234 PolarHBondContact O-N 3.1Å; V231-V234 PolarHBondContact O-N 3.2Å; I232-V234 PolarHBondContact O-N 3.31Å; V234-V236 PolarHBondContact O-N 2.93Å; V234-A237 PolarHBondContact O-N 2.91Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CG2 3.38Å; V234-V238 PolarHBondContact O-N 2.94Å |
| 235 | A | 93.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 80.3 Ų | 80.3 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V231 I232 V238 T239 | V231-A235 WeakPolarHBondContact O-CB 3.2Å; V231-A235 PolarHBondContact O-N 3.14Å; I232-A235 PolarHBondContact O-N 2.94Å; A235-V238 PolarHBondContact O-N 2.9Å; A235-T239 VanDerWaalsContact O-CB 3.32Å; A235-T239 WeakPolarHBondContact O-CB 3.08Å; A235-T239 VanDerWaalsContact O-CG2 3.26Å; A235-T239 WeakPolarHBondContact O-CG2 3.41Å; A235-T239 PolarHBondContact O-N 3.03Å; A235-T239 PolarHBondContact O-OG1 2.95Å |
| 236 | V | 93.9 | Very high | 90.4 | Very high | 78 Ų | 78 | 87.7 Ų | 87.7 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 173.8 | 173 | 0 | 0 | 0 | 0 | 111.1 | I232 A233 V234 V238 T239 V240 | I232-V236 HydrophobicContact CG2-CG2 4.48Å; I232-V236 WeakPolarHBondContact O-CG2 3.49Å; I232-V236 PolarHBondContact O-N 2.94Å; A233-V236 PolarHBondContact O-N 2.84Å; V234-V236 PolarHBondContact O-N 2.93Å; V236-V238 VanDerWaalsContact C-N 3.26Å; V236-V238 PolarHBondContact O-N 3.08Å; V236-T239 PolarHBondContact O-N 2.82Å; V236-T239 PolarHBondContact O-OG1 2.88Å; V236-V240 HydrophobicContact CG1-CG2 4.03Å; V236-V240 WeakPolarHBondContact O-CB 2.87Å; V236-V240 WeakPolarHBondContact O-CG2 3.34Å; V236-V240 PolarHBondContact O-N 3.28Å |
| 237 | A | 91.6 | Very high | 89.9 | Confident | 66 Ų | 66 | 90.1 Ų | 90.1 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -25.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | A233 V234 P241 | A233-A237 VanDerWaalsContact O-CB 3.27Å; A233-A237 WeakPolarHBondContact O-CB 3.29Å; A233-A237 PolarHBondContact O-N 3.43Å; V234-A237 PolarHBondContact O-N 2.91Å; A237-P241 WeakPolarHBondContact O-CD 3.35Å; A237-P241 WeakPolarHBondContact O-CG 3.4Å |
| 238 | V | 92.3 | Very high | 89.1 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -88.7 | -44.6 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | V234 A235 V236 A242 | V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CG2 3.38Å; V234-V238 PolarHBondContact O-N 2.94Å; A235-V238 PolarHBondContact O-N 2.9Å; V236-V238 VanDerWaalsContact C-N 3.26Å; V236-V238 PolarHBondContact O-N 3.08Å; V238-A242 WeakPolarHBondContact O-CB 3.25Å; V238-A242 PolarHBondContact O-N 3.37Å |
| 239 | T | 89.3 | Confident | 88.1 | Confident | 74 Ų | 74 | 91.2 Ų | 91.2 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | -175.4 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | A235 V236 A242 V243 | A235-T239 VanDerWaalsContact O-CB 3.32Å; A235-T239 WeakPolarHBondContact O-CB 3.08Å; A235-T239 VanDerWaalsContact O-CG2 3.26Å; A235-T239 WeakPolarHBondContact O-CG2 3.41Å; A235-T239 PolarHBondContact O-N 3.03Å; A235-T239 PolarHBondContact O-OG1 2.95Å; V236-T239 PolarHBondContact O-N 2.82Å; V236-T239 PolarHBondContact O-OG1 2.88Å; T239-A242 PolarHBondContact O-N 2.99Å; T239-V243 WeakPolarHBondContact O-CB 3.3Å; T239-V243 WeakPolarHBondContact O-CG2 3.29Å; T239-V243 PolarHBondContact O-N 3.05Å |
| 240 | V | 88.1 | Confident | 86.8 | Confident | 81 Ų | 81 | 90.1 Ų | 90.1 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | -179.2 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | V236 A242 V243 V244 | V236-V240 HydrophobicContact CG1-CG2 4.03Å; V236-V240 WeakPolarHBondContact O-CB 2.87Å; V236-V240 WeakPolarHBondContact O-CG2 3.34Å; V236-V240 PolarHBondContact O-N 3.28Å; V240-A242 VanDerWaalsContact C-N 3.34Å; V240-A242 PolarHBondContact O-N 3.28Å; V240-V243 PolarHBondContact O-N 3.2Å; V240-V244 WeakPolarHBondContact O-CB 3.47Å; V240-V244 VanDerWaalsContact O-CG2 3.3Å; V240-V244 WeakPolarHBondContact O-CG2 3.35Å; V240-V244 PolarHBondContact O-N 2.79Å |
| 241 | P | 87.1 | Confident | 85.3 | Confident | 69 Ų | 69 | 93 Ų | 93 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 172.7 | -25.4 | 36.4 | 0 | 0 | 0 | 113.4 | A237 V244 K245 | A237-P241 WeakPolarHBondContact O-CD 3.35Å; A237-P241 WeakPolarHBondContact O-CG 3.4Å; P241-V244 PolarHBondContact O-N 3.35Å; P241-K245 WeakPolarHBondContact O-CB 3.15Å; P241-K245 VanDerWaalsContact O-CG 3.27Å; P241-K245 WeakPolarHBondContact O-CG 3.37Å; P241-K245 PolarHBondContact O-N 2.8Å |
| 242 | A | 86.8 | Confident | 83.7 | Confident | 56 Ų | 56 | 97.1 Ų | 97.1 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V238 T239 V240 K245 W246 | V238-A242 WeakPolarHBondContact O-CB 3.25Å; V238-A242 PolarHBondContact O-N 3.37Å; T239-A242 PolarHBondContact O-N 2.99Å; V240-A242 VanDerWaalsContact C-N 3.34Å; V240-A242 PolarHBondContact O-N 3.28Å; A242-K245 PolarHBondContact O-N 2.85Å; A242-W246 VanDerWaalsContact O-CB 3.25Å; A242-W246 WeakPolarHBondContact O-CB 3.41Å; A242-W246 PolarHBondContact O-N 2.81Å |
| 243 | V | 86.9 | Confident | 82 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 58% | 0.576 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | T239 V240 K247 | T239-V243 WeakPolarHBondContact O-CB 3.3Å; T239-V243 WeakPolarHBondContact O-CG2 3.29Å; T239-V243 PolarHBondContact O-N 3.05Å; V240-V243 PolarHBondContact O-N 3.2Å; V243-K247 WeakPolarHBondContact O-CB 3.31Å; V243-K247 PolarHBondContact O-N 2.98Å |
| 244 | V | 85.9 | Confident | 80.1 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -44.1 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | V240 P241 S248 | V240-V244 WeakPolarHBondContact O-CB 3.47Å; V240-V244 VanDerWaalsContact O-CG2 3.3Å; V240-V244 WeakPolarHBondContact O-CG2 3.35Å; V240-V244 PolarHBondContact O-N 2.79Å; P241-V244 PolarHBondContact O-N 3.35Å; V244-S248 WeakPolarHBondContact O-CB 3.25Å; V244-S248 PolarHBondContact O-N 2.87Å |
| 245 | K | 85.6 | Confident | 78 | Confident | 147 Ų | 147 | 104.2 Ų | 104.2 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -47.9 | 175.4 | -73.7 | -76.4 | -175.3 | 173.3 | 0 | 111.5 | P241 A242 K247 S248 I249 | P241-K245 WeakPolarHBondContact O-CB 3.15Å; P241-K245 VanDerWaalsContact O-CG 3.27Å; P241-K245 WeakPolarHBondContact O-CG 3.37Å; P241-K245 PolarHBondContact O-N 2.8Å; A242-K245 PolarHBondContact O-N 2.85Å; K245-K247 PolarHBondContact O-N 2.99Å; K245-S248 PolarHBondContact O-N 2.95Å; K245-I249 VanDerWaalsContact O-CG1 3.3Å; K245-I249 WeakPolarHBondContact O-CG1 3.37Å; K245-I249 PolarHBondContact O-N 2.77Å |
| 246 | W | 78.2 | Confident | 75.9 | Confident | 204 Ų | 204 | 111.1 Ų | 111.1 | 77% | 0.773 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.7 | -46.5 | 177.7 | -172.7 | -77.2 | 0 | 0 | 0 | 111.7 | A242 S248 I249 S250 | A242-W246 VanDerWaalsContact O-CB 3.25Å; A242-W246 WeakPolarHBondContact O-CB 3.41Å; A242-W246 PolarHBondContact O-N 2.81Å; W246-S248 VanDerWaalsContact C-N 3.33Å; W246-S248 PolarHBondContact O-N 3.1Å; W246-I249 PolarHBondContact O-N 3.37Å; W246-S250 WeakPolarHBondContact O-CB 3.46Å; W246-S250 PolarHBondContact O-N 2.97Å |
| 247 | K | 76.4 | Confident | 73.9 | Confident | 147 Ų | 147 | 113 Ų | 113 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.6 | -39.1 | 177.4 | -172.6 | 174.4 | -178.3 | 178.4 | 0 | 111.9 | V243 K245 H251 | V243-K247 WeakPolarHBondContact O-CB 3.31Å; V243-K247 PolarHBondContact O-N 2.98Å; K245-K247 PolarHBondContact O-N 2.99Å; K247-H251 WeakPolarHBondContact O-CB 3.34Å; K247-H251 PolarHBondContact O-N 2.99Å |
| 248 | S | 71.6 | Confident | 72 | Confident | 77 Ų | 77 | 114.9 Ų | 114.9 | 54% | 0.538 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.5 | -48.7 | 175.4 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | V244 K245 W246 S250 H251 F252 | V244-S248 WeakPolarHBondContact O-CB 3.25Å; V244-S248 PolarHBondContact O-N 2.87Å; K245-S248 PolarHBondContact O-N 2.95Å; W246-S248 VanDerWaalsContact C-N 3.33Å; W246-S248 PolarHBondContact O-N 3.1Å; S248-S250 PolarHBondContact O-N 3.04Å; S248-H251 PolarHBondContact O-N 2.9Å; S248-F252 PolarHBondContact O-N 3.17Å |
| 249 | I | 73.2 | Confident | 69.8 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.7 | -43.1 | 177.3 | -67.2 | 163.8 | 0 | 0 | 0 | 111 | K245 W246 H251 F252 I253 | K245-I249 VanDerWaalsContact O-CG1 3.3Å; K245-I249 WeakPolarHBondContact O-CG1 3.37Å; K245-I249 PolarHBondContact O-N 2.77Å; W246-I249 PolarHBondContact O-N 3.37Å; I249-H251 VanDerWaalsContact C-N 3.3Å; I249-H251 PolarHBondContact O-N 3.28Å; I249-F252 WeakPolarHBondContact O-CA 3.34Å; I249-F252 WeakPolarHBondContact O-CB 3.44Å; I249-F252 PolarHBondContact O-N 3.01Å; I249-I253 HydrophobicContact CG2-CD1 3.68Å; I249-I253 HydrophobicContact CG2-CG1 4.31Å; I249-I253 WeakPolarHBondContact O-CG1 3.47Å; I249-I253 PolarHBondContact O-N 3.11Å |
| 250 | S | 65.9 | Low | 68.1 | Low | 59 Ų | 59 | 115 Ų | 115 | 41% | 0.413 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.1 | -40 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | W246 S248 F252 I253 W254 | W246-S250 WeakPolarHBondContact O-CB 3.46Å; W246-S250 PolarHBondContact O-N 2.97Å; S248-S250 PolarHBondContact O-N 3.04Å; S250-F252 PolarHBondContact O-N 3.46Å; S250-I253 PolarHBondContact O-N 2.83Å; S250-W254 PolarHBondContact O-N 2.68Å |
| 251 | H | 61.9 | Low | 66.2 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 53% | 0.532 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.4 | -16.9 | 176.5 | -136.7 | -62.3 | 0 | 0 | 0 | 113.9 | K247 S248 I249 | K247-H251 WeakPolarHBondContact O-CB 3.34Å; K247-H251 PolarHBondContact O-N 2.99Å; S248-H251 PolarHBondContact O-N 2.9Å; I249-H251 VanDerWaalsContact C-N 3.3Å; I249-H251 PolarHBondContact O-N 3.28Å |
| 252 | F | 62.4 | Low | 64.5 | Low | 181 Ų | 181 | 124.6 Ų | 124.6 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -91.6 | -37.6 | 176.9 | -152.3 | -86.4 | 0 | 0 | 0 | 111.9 | S248 I249 S250 | S248-F252 PolarHBondContact O-N 3.17Å; I249-F252 WeakPolarHBondContact O-CA 3.34Å; I249-F252 WeakPolarHBondContact O-CB 3.44Å; I249-F252 PolarHBondContact O-N 3.01Å; S250-F252 PolarHBondContact O-N 3.46Å |
| 253 | I | 60.6 | Low | 62.8 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.1 | -37.4 | 176.8 | -65.8 | 175.2 | 0 | 0 | 0 | 111.3 | I249 S250 | I249-I253 HydrophobicContact CG2-CD1 3.68Å; I249-I253 HydrophobicContact CG2-CG1 4.31Å; I249-I253 WeakPolarHBondContact O-CG1 3.47Å; I249-I253 PolarHBondContact O-N 3.11Å; S250-I253 PolarHBondContact O-N 2.83Å |
| 254 | W | 54.3 | Low | 61.2 | Low | 211 Ų | 211 | 128 Ų | 128 | 80% | 0.799 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -121.5 | 92.7 | 167.5 | -95.6 | -47.7 | 0 | 0 | 0 | 111 | S250 | S250-W254 PolarHBondContact O-N 2.68Š|
| 255 | P | 52 | Low | 59.3 | Low | 75 Ų | 75 | 132 Ų | 132 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | trans | -56.4 | 143.9 | 156 | -18.3 | 31.4 | 0 | 0 | 0 | 109.3 | V257 | P255-V257 HydrophobicContact CB-CG2 4.49Å; P255-V257 PolarHBondContact O-N 3.05Å | ||
| 256 | K | 49.4 | Very low | 57.4 | Low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.835 | 63% | 0.627 | S | S | * | * | trans | -70.6 | 82.2 | 167.8 | -75.4 | -170.9 | 176 | -175.8 | 0 | 109.6 | S258 | K256-S258 PolarHBondContact O-N 2.54Š| ||
| 257 | V | 51.7 | Low | 56 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 71% | 0.709 | 63% | 0.627 | S | S | * | * | trans | -66.9 | 99.5 | 171.6 | -177 | 0 | 0 | 0 | 0 | 108 | P255 L259 | P255-V257 HydrophobicContact CB-CG2 4.49Å; P255-V257 PolarHBondContact O-N 3.05Å; V257-L259 PolarHBondContact O-N 3.22Å | ||
| 258 | S | 53.3 | Low | 54.4 | Low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | trans | -65.5 | 104.5 | 167.8 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | K256 P260 | K256-S258 PolarHBondContact O-N 2.54Å; S258-P260 VanDerWaalsContact O-CD 3.32Å; S258-P260 WeakPolarHBondContact O-CD 3.38Å | ||
| 259 | L | 46.3 | Very low | 52.8 | Low | 116 Ų | 116 | 126.8 Ų | 126.8 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | trans | -53.8 | 120.9 | -177.8 | -169.9 | 72.5 | 0 | 0 | 0 | 110.2 | V257 R261 F263 | V257-L259 PolarHBondContact O-N 3.22Å; L259-R261 PolarHBondContact O-N 3.02Å; L259-F263 HydrophobicContact CD1-CB 4.43Å; L259-F263 HydrophobicContact CD1-CD2 4.25Å; L259-F263 HydrophobicContact CD2-CB 4.4Å; L259-F263 HydrophobicContact CG-CB 4.36Å | ||
| 260 | P | 53.2 | Low | 50.9 | Low | 56 Ų | 56 | 128.5 Ų | 128.5 | 36% | 0.364 | 65% | 0.65 | S | S | . | * | trans | -61.3 | 130.3 | 178.8 | -26.4 | 36 | 0 | 0 | 0 | 111.5 | S258 H262 F263 | S258-P260 VanDerWaalsContact O-CD 3.32Å; S258-P260 WeakPolarHBondContact O-CD 3.38Å; P260-H262 VanDerWaalsContact CB-CE1 3.47Å; P260-H262 WeakPolarHBondContact CB-CE1 3.21Å; P260-H262 PolarHBondContact O-N 3.22Å; P260-F263 HydrophobicContact CB-CD2 4.19Å; P260-F263 HydrophobicContact CB-CE2 4.37Å; P260-F263 HydrophobicContact CG-CD2 4.36Å; P260-F263 HydrophobicContact CG-CE2 4.27Å; P260-F263 PolarHBondContact O-N 3.16Å | ||
| 261 | R | 48.2 | Very low | 49.6 | Very low | 225 Ų | 225 | 131.3 Ų | 131.3 | 85% | 0.849 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -6.4 | -175.6 | -72.6 | -178.3 | 175.7 | 163.3 | -2 | 116.2 | L259 | L259-R261 PolarHBondContact O-N 3.02Š|
| 262 | H | 50.7 | Low | 48.2 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 58% | 0.579 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -26.5 | 173.5 | 60.2 | -106.5 | 0 | 0 | 0 | 113.5 | P260 | P260-H262 VanDerWaalsContact CB-CE1 3.47Å; P260-H262 WeakPolarHBondContact CB-CE1 3.21Å; P260-H262 PolarHBondContact O-N 3.22Å |
| 263 | F | 51 | Low | 46.9 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 42% | 0.421 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -73.1 | -27 | 178.3 | -70.7 | -70.1 | 0 | 0 | 0 | 113.6 | L259 P260 K265 S266 L267 | L259-F263 HydrophobicContact CD1-CB 4.43Å; L259-F263 HydrophobicContact CD1-CD2 4.25Å; L259-F263 HydrophobicContact CD2-CB 4.4Å; L259-F263 HydrophobicContact CG-CB 4.36Å; P260-F263 HydrophobicContact CB-CD2 4.19Å; P260-F263 HydrophobicContact CB-CE2 4.37Å; P260-F263 HydrophobicContact CG-CD2 4.36Å; P260-F263 HydrophobicContact CG-CE2 4.27Å; P260-F263 PolarHBondContact O-N 3.16Å; F263-K265 VanDerWaalsContact C-N 3.25Å; F263-K265 PolarHBondContact O-N 3.38Å; F263-S266 PolarHBondContact O-N 3.16Å; F263-S266 VanDerWaalsContact O-N 3.07Å; F263-L267 PolarHBondContact O-N 3.43Å |
| 264 | E | 52.5 | Low | 45.6 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 59% | 0.589 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.4 | -31 | -178.7 | -164.5 | 166.7 | -143.9 | 0 | 0 | 112.5 | ||
| 265 | K | 46.5 | Very low | 44.4 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 78% | 0.778 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76.7 | -30.9 | 172.4 | -87.8 | -169.3 | 170.7 | -173.5 | 0 | 114 | F263 L267 | F263-K265 VanDerWaalsContact C-N 3.25Å; F263-K265 PolarHBondContact O-N 3.38Å; K265-L267 VanDerWaalsContact C-N 3.33Å |
| 266 | S | 46.2 | Very low | 43.5 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.7 | -24.2 | -177.5 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | F263 | F263-S266 PolarHBondContact O-N 3.16Å; F263-S266 VanDerWaalsContact O-N 3.07Å |
| 267 | L | 47.8 | Very low | 42.6 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -7.2 | 178.9 | -70.2 | 168.9 | 0 | 0 | 0 | 114.1 | F263 K265 | F263-L267 PolarHBondContact O-N 3.43Å; K265-L267 VanDerWaalsContact C-N 3.33Å |
| 268 | Q | 44.7 | Very low | 41.6 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -0.2 | 174.8 | -68.2 | -174.5 | -11 | 0 | 0 | 113.4 | ||
| 269 | A | 37.4 | Very low | 40.2 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | trans | -96.6 | 97.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P271 | A269-P271 VanDerWaalsContact O-CD 3.31Å; A269-P271 WeakPolarHBondContact O-CD 3.47Å | ||
| 270 | T | 33.9 | Very low | 39.5 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.7 | 173.2 | -47.9 | 0 | 0 | 0 | 0 | 111 | ||
| 271 | P | 37.2 | Very low | 39.2 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 125 | 163 | 8.3 | 13.6 | 0 | 0 | 0 | 109.8 | A269 | A269-P271 VanDerWaalsContact O-CD 3.31Å; A269-P271 WeakPolarHBondContact O-CD 3.47Å |
| 272 | E | 33.4 | Very low | 38.1 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 148.3 | 168.4 | -62.2 | -173 | 132.1 | 0 | 0 | 111.1 | ||
| 273 | S | 35.1 | Very low | 37.1 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 63.4 | 159.3 | 158.3 | -78.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 274 | S | 33.6 | Very low | 36.1 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -175.3 | 129.2 | -29.7 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 275 | V | 29.5 | Very low | 35 | Very low | 150 Ų | 150 | 137 Ų | 137 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -145.4 | 134.8 | 152.6 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 276 | C | 32 | Very low | 34.1 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | trans | -102.1 | 158.2 | 178.6 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 277 | L | 30.2 | Very low | 33.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | -153.3 | 122.5 | 120.1 | -78.7 | -175.3 | 0 | 0 | 0 | 105.1 | |||||
| 278 | I | 30.1 | Very low | 32.9 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | 58.7 | 117 | 69.3 | -56.7 | 175.9 | 0 | 0 | 0 | 109.1 | |||||
| 279 | M | 24.8 | Very low | 32.1 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | cis | -152.3 | 165.7 | 42.5 | -148.2 | 151 | 67.3 | 0 | 0 | 114.9 | ||||
| 280 | Q | 32.3 | Very low | 31.8 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -140.7 | 173.3 | 168.5 | -115.8 | -173.1 | -18.5 | 0 | 0 | 106.8 | ||||
| 281 | P | 45.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | cis | -113 | -156.3 | -23.6 | 19.1 | 6.6 | 0 | 0 | 0 | 109.5 | ||||
| 282 | T | 25.8 | Very low | 31.4 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | 173.2 | 162.5 | 64.8 | -81.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 283 | E | 30 | Very low | 31.2 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -3.5 | 160.8 | 158.4 | -65.7 | 162.9 | 163.2 | 0 | 0 | 120.5 | ||||
| 284 | E | 29.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | cis | -179.4 | 174.4 | -16.6 | -169.9 | -164.8 | -160 | 0 | 0 | 105 | ||||
| 285 | I | 29.4 | Very low | 31 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 75.4 | 131.2 | 163 | -47.3 | -177.7 | 0 | 0 | 0 | 117.6 | ||||
| 286 | A | 27.3 | Very low | 31 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | -68.7 | -168.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 287 | P | 41.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | cis | -140.4 | -167.6 | -0.7 | 34.8 | -10.9 | 0 | 0 | 0 | 116.2 | ||||
| 288 | L | 26.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 93.8 | 124.7 | 138.3 | -153.7 | 79.3 | 0 | 0 | 0 | 121.7 | ||||
| 289 | S | 28.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 65.3 | 153.1 | 155.8 | 64.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 290 | I | 31.5 | Very low | 31.2 | Very low | 165 Ų | 165 | 131 Ų | 131 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | cis | -138.1 | 168.5 | 44 | -79.3 | 170.9 | 0 | 0 | 0 | 113.2 | ||||
| 291 | V | 31.1 | Very low | 31.1 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | trans | -103.4 | 141.3 | -168.6 | 170.4 | 0 | 0 | 0 | 0 | 113.9 | V293 | V291-V293 HydrophobicContact CG1-CG2 3.68Š| ||
| 292 | T | 30.5 | Very low | 30.3 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -158.3 | 135.8 | 142.3 | 25.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 293 | V | 30.8 | Very low | 30.5 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 58% | 0.576 | 76% | 0.761 | S | S | * | * | cis | 74 | 114.8 | 31.4 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | V291 | V291-V293 HydrophobicContact CG1-CG2 3.68Š| ||
| 294 | E | 34.7 | Very low | 30.4 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | -152.4 | -157.3 | -8.8 | -137.5 | 69.8 | -81.2 | 0 | 0 | 106.9 | ||||
| 295 | E | 29.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | cis | -160.2 | 165.6 | 10.4 | -147 | -118.5 | 98.6 | 0 | 0 | 112.3 | ||||
| 296 | S | 28.5 | Very low | 30.2 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 147.2 | 165.7 | 83.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 297 | S | 30.3 | Very low | 30.3 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | cis | -158.2 | 156.2 | -17.7 | 41.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 298 | H | 30.1 | Very low | 29.7 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 35.2 | 138.7 | 145.8 | -77.8 | -101.5 | 0 | 0 | 0 | 121 | ||||
| 299 | E | 30.3 | Very low | 29.9 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -167.2 | 167.3 | 6.2 | -171.2 | 165.8 | 130.4 | 0 | 0 | 108.5 | ||||
| 300 | G | 31 | Very low | 30.2 | Very low | 63 Ų | 63 | 147.4 Ų | 147.4 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | 129.2 | 88.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 301 | T | 30.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -30.2 | 127.2 | 171.7 | -48.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 302 | K | 28.6 | Very low | 30 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -122.8 | 120.3 | 156.2 | -77.1 | -175.5 | 178.2 | 176.9 | 0 | 109.7 | ||||
| 303 | E | 30.4 | Very low | 29.9 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -88.6 | 149 | 163.1 | -156.1 | 161.7 | -140.3 | 0 | 0 | 109.3 | ||||
| 304 | S | 27.8 | Very low | 29.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -129.5 | 138.5 | -166.1 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 305 | C | 28 | Very low | 29.8 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -145.5 | 150.5 | 158.5 | -143.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 306 | Y | 27.4 | Very low | 29.8 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -126.8 | 112.5 | -166.2 | -170.6 | -79.7 | 0 | 0 | 0 | 108.8 | ||||
| 307 | C | 27.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 89% | 0.892 | 83% | 0.828 | S | S | * | * | trans | -92 | 125.2 | -178.4 | -78.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 308 | K | 31.2 | Very low | 29.7 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -105.4 | 132.4 | -176.3 | -168.5 | 177 | -175.4 | 178.3 | 0 | 108.9 | ||||
| 309 | Q | 29.2 | Very low | 29.8 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -66.7 | 140.5 | 179.3 | -79.6 | -169.2 | -24.4 | 0 | 0 | 112.6 | ||||
| 310 | L | 34.2 | Very low | 30.1 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | trans | -142.1 | 140.2 | 158.7 | -86.5 | 172.4 | 0 | 0 | 0 | 109.3 | ||||
| 311 | N | 29.6 | Very low | 30.6 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -87.1 | 146.2 | 172.8 | -74 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 312 | G | 30.5 | Very low | 30.9 | Very low | 69 Ų | 69 | 149.1 Ų | 149.1 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | trans | 167.7 | 86.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 313 | T | 28.1 | Very low | 31.1 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 86% | 0.859 | 87% | 0.867 | S | S | * | * | trans | 11.1 | 147.9 | 146.2 | 27.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 314 | V | 31.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 89% | 0.885 | 86% | 0.864 | S | S | * | * | trans | 106.6 | 122 | 155.5 | -173.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 315 | G | 31.2 | Very low | 31.3 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 87% | 0.869 | S | S | * | * | trans | 85.6 | 85.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | N317 | G315-N317 PolarHBondContact O-N 3.5Š| ||
| 316 | N | 29.4 | Very low | 31.5 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 91% | 0.914 | 87% | 0.869 | S | S | * | * | trans | -70.7 | 116 | 160.2 | -73.2 | -3 | 0 | 0 | 0 | 110 | ||||
| 317 | N | 29.7 | Very low | 31.7 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 88% | 0.877 | 87% | 0.873 | S | S | * | * | trans | -126.4 | 150.1 | 159.8 | -104.1 | -17.3 | 0 | 0 | 0 | 109.1 | G315 | G315-N317 PolarHBondContact O-N 3.5Š| ||
| 318 | C | 27.5 | Very low | 32 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 78% | 0.784 | 87% | 0.872 | S | S | * | * | trans | -74.3 | 142.8 | -166.2 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 319 | L | 31.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 88% | 0.875 | S | S | * | * | 175.9 | 149.4 | 106 | -96.6 | 147.7 | 0 | 0 | 0 | 112.7 | |||||
| 320 | H | 37.1 | Very low | 32.3 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 85% | 0.847 | 88% | 0.875 | S | S | * | * | trans | -76.3 | 141.9 | 164.7 | -107.5 | -86 | 0 | 0 | 0 | 110.5 | ||||
| 321 | P | 41.8 | Very low | 32.1 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 87% | 0.872 | S | S | * | * | trans | -97.2 | 166 | 144 | 35.9 | -29.5 | 0 | 0 | 0 | 110.7 | ||||
| 322 | A | 36.5 | Very low | 32.3 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 87% | 0.87 | S | S | * | * | trans | -127.5 | 124.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 323 | C | 33.1 | Very low | 32.5 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 100% | 1.446 | 89% | 0.885 | S | S | * | * | trans | -171.8 | 0 | 157.3 | -111.7 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 323 of 323 residues in 669.4 ms
(Link to these results)