| 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 | 47.5 | Very low | 64 | Low | 247 Ų | 247 | 160.3 Ų | 160.3 | 100% | 1.217 | 84% | 0.843 | S | S | * | * | 0 | 110.3 | 0 | -80.1 | 173.7 | 155.4 | 0 | 0 | 108.2 | |||||
| 2 | F | 48.1 | Very low | 63.8 | Low | 200 Ų | 200 | 164.3 Ų | 164.3 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -89.8 | 122.5 | 175.6 | -68.3 | -79.7 | 0 | 0 | 0 | 109.1 | L4 | F2-L4 PolarHBondContact O-N 3.28Š| ||
| 3 | S | 60.2 | Low | 63.5 | Low | 109 Ų | 109 | 157.4 Ų | 157.4 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -74.9 | 100.9 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | K5 | S3-K5 PolarHBondContact O-N 3.16Å; S3-K5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | L | 59.3 | Low | 63.7 | Low | 163 Ų | 163 | 162.1 Ų | 162.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -78.3 | 86.8 | 174.4 | -66.7 | 172.8 | 0 | 0 | 0 | 109 | F2 | F2-L4 PolarHBondContact O-N 3.28Š| ||
| 5 | K | 67.6 | Low | 63.4 | Low | 180 Ų | 180 | 161.1 Ų | 161.1 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 126.5 | 163.4 | -70.4 | -175.9 | -179.5 | 175.6 | 0 | 107.8 | S3 | S3-K5 PolarHBondContact O-N 3.16Å; S3-K5 VanDerWaalsContact O-N 3.1Å |
| 6 | P | 68.5 | Low | 63.2 | Low | 113 Ų | 113 | 161.1 Ų | 161.1 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 138.4 | 179.7 | 23.7 | -31.4 | 0 | 0 | 0 | 110.1 | K8 | P6-K8 PolarHBondContact O-N 3.43Š|
| 7 | P | 67.8 | Low | 63.1 | Low | 123 Ų | 123 | 157.9 Ų | 157.9 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.5 | 178.1 | 24 | -30.8 | 0 | 0 | 0 | 109.8 | ||
| 8 | K | 68.6 | Low | 62.7 | Low | 188 Ų | 188 | 155.3 Ų | 155.3 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130.6 | 176.1 | -73 | 177.8 | 177.1 | 175.4 | 0 | 108.9 | P6 T10 | P6-K8 PolarHBondContact O-N 3.43Å; K8-T10 PolarHBondContact O-N 3.13Å |
| 9 | P | 71.3 | Confident | 62 | Low | 122 Ų | 122 | 152.9 Ų | 152.9 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.7 | 175.9 | 24.1 | -31.8 | 0 | 0 | 0 | 109.7 | F11 | P9-F11 VanDerWaalsContact C-N 3.33Š|
| 10 | T | 71.9 | Confident | 61.3 | Low | 142 Ų | 142 | 154.4 Ų | 154.4 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -86.4 | -5.6 | 179.6 | 45.5 | 0 | 0 | 0 | 0 | 113 | K8 R12 | K8-T10 PolarHBondContact O-N 3.13Å; T10-R12 PolarHBondContact O-N 2.88Å | ||
| 11 | F | 73.6 | Confident | 60.4 | Low | 176 Ų | 176 | 151.4 Ų | 151.4 | 77% | 0.772 | 79% | 0.791 | S | S | * | * | trans | -76.7 | 107.5 | 177.3 | -173 | -102.4 | 0 | 0 | 0 | 110.4 | P9 | P9-F11 VanDerWaalsContact C-N 3.33Š| ||
| 12 | R | 61.4 | Low | 60.1 | Low | 209 Ų | 209 | 146.9 Ų | 146.9 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | -95.6 | 108.8 | 165.3 | -73.7 | -170.6 | 175.7 | -132.1 | 2.4 | 108.2 | T10 Y14 | T10-R12 PolarHBondContact O-N 2.88Å; R12-Y14 PolarHBondContact O-N 2.94Å | ||
| 13 | S | 59.8 | Low | 59.7 | Low | 74 Ų | 74 | 143.3 Ų | 143.3 | 52% | 0.517 | 76% | 0.762 | S | S | . | * | trans | -66.9 | 122.3 | 167.9 | 57.2 | 0 | 0 | 0 | 0 | 109.1 | L15 | S13-L15 PolarHBondContact O-N 3.2Š| ||
| 14 | Y | 66.9 | Low | 58.6 | Low | 223 Ų | 223 | 147.7 Ų | 147.7 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | -77.8 | 3.2 | 171.6 | -64.4 | -80.6 | 0 | 0 | 0 | 113.1 | R12 L16 | R12-Y14 PolarHBondContact O-N 2.94Å; Y14-L16 PolarHBondContact O-N 3.04Å | ||
| 15 | L | 58.9 | Low | 58 | Low | 148 Ų | 148 | 147.6 Ų | 147.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -76.3 | 114.3 | 171.1 | -61.8 | 175.3 | 0 | 0 | 0 | 107.8 | S13 | S13-L15 PolarHBondContact O-N 3.2Š|
| 16 | L | 59.8 | Low | 56.2 | Low | 160 Ų | 160 | 145.5 Ų | 145.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.1 | 172.7 | -77.9 | 154.6 | 0 | 0 | 0 | 109 | Y14 | Y14-L16 PolarHBondContact O-N 3.04Š|
| 17 | P | 61.6 | Low | 55.1 | Low | 107 Ų | 107 | 144.9 Ų | 144.9 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.8 | 169.4 | 24.5 | -30.7 | 0 | 0 | 0 | 108.5 | ||
| 18 | P | 55.8 | Low | 53.4 | Low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 141.3 | 176.2 | 22.8 | -30.8 | 0 | 0 | 0 | 109.3 | Q20 | P18-Q20 PolarHBondContact O-N 2.8Š|
| 19 | P | 48.9 | Very low | 52.2 | Low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 129.3 | 176.6 | 22.2 | -30.6 | 0 | 0 | 0 | 109.4 | T21 | P19-T21 VanDerWaalsContact C-N 3.31Å; P19-T21 PolarHBondContact O-N 2.95Å |
| 20 | Q | 49.3 | Very low | 50.5 | Low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -68.2 | 91.9 | 169.8 | -66.3 | -93.3 | 0.7 | 0 | 0 | 107.1 | P18 | P18-Q20 PolarHBondContact O-N 2.8Š| ||
| 21 | T | 41.8 | Very low | 49.3 | Very low | 92 Ų | 92 | 145 Ų | 145 | 56% | 0.564 | 75% | 0.746 | S | S | * | * | trans | -86.4 | 107.1 | 165.5 | 51.6 | 0 | 0 | 0 | 0 | 107.7 | P19 D23 | P19-T21 VanDerWaalsContact C-N 3.31Å; P19-T21 PolarHBondContact O-N 2.95Å; T21-D23 PolarHBondContact O-N 2.91Å; T21-D23 PolarHBondContact OG1-OD2 2.92Å | ||
| 22 | D | 40.8 | Very low | 48.2 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -65.7 | 79.8 | 162.8 | -74.3 | -48.9 | 0 | 0 | 0 | 108.5 | K24 | D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact O-N 3.29Å | ||
| 23 | D | 40 | Very low | 47.9 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | trans | -78.1 | 88.8 | 177.5 | -68.2 | -44.4 | 0 | 0 | 0 | 109.3 | T21 I25 | T21-D23 PolarHBondContact O-N 2.91Å; T21-D23 PolarHBondContact OG1-OD2 2.92Å; D23-I25 PolarHBondContact O-N 3.01Å; D23-I25 VanDerWaalsContact O-N 3.1Å | ||
| 24 | K | 37.7 | Very low | 48 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -54.4 | 112.1 | 161 | -76.1 | -176.7 | 178.2 | -177.2 | 0 | 108.6 | D22 N26 | D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact O-N 3.29Å; K24-N26 PolarHBondContact O-N 2.8Å | ||
| 25 | I | 46.2 | Very low | 48.1 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | trans | -59.6 | 99.7 | 172.6 | -58.6 | 165.6 | 0 | 0 | 0 | 108.1 | D23 | D23-I25 PolarHBondContact O-N 3.01Å; D23-I25 VanDerWaalsContact O-N 3.1Å | ||
| 26 | N | 30.1 | Very low | 48.7 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | trans | -105.8 | 92.5 | 156.6 | -169.7 | 16.8 | 0 | 0 | 0 | 107.2 | K24 E28 | K24-N26 PolarHBondContact O-N 2.8Å; N26-E28 PolarHBondContact O-N 3.46Å | ||
| 27 | S | 45.5 | Very low | 49.8 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | trans | -77.9 | 91.5 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 28 | E | 31.7 | Very low | 51.1 | Low | 130 Ų | 130 | 126.1 Ų | 126.1 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | trans | -99.8 | 119.3 | 154 | -84.3 | 178.5 | 170.3 | 0 | 0 | 108.3 | N26 K30 | N26-E28 PolarHBondContact O-N 3.46Å; E28-K30 PolarHBondContact O-N 2.94Å | ||
| 29 | P | 43.5 | Very low | 52.6 | Low | 124 Ų | 124 | 123.3 Ų | 123.3 | 81% | 0.805 | 64% | 0.639 | S | S | * | * | trans | -74.9 | 77.6 | 175.8 | 31.7 | -31.4 | 0 | 0 | 0 | 108.5 | I31 | P29-I31 PolarHBondContact O-N 3.27Š| ||
| 30 | K | 36.3 | Very low | 54.4 | Low | 157 Ų | 157 | 124.6 Ų | 124.6 | 68% | 0.683 | 65% | 0.647 | S | S | * | * | trans | -69.4 | 109.5 | 159.8 | -71.4 | -179.6 | -177.4 | 173.8 | 0 | 105.4 | E28 K32 | E28-K30 PolarHBondContact O-N 2.94Å; K30-K32 PolarHBondContact O-N 3.08Å | ||
| 31 | I | 45.2 | Very low | 56.3 | Low | 167 Ų | 167 | 119.2 Ų | 119.2 | 86% | 0.856 | 64% | 0.64 | S | S | * | * | trans | -53 | 96.2 | 168.3 | -60.2 | 165.3 | 0 | 0 | 0 | 105.7 | P29 K33 | P29-I31 PolarHBondContact O-N 3.27Å; I31-K33 PolarHBondContact O-N 3.39Å; I31-K33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | K | 51.2 | Low | 58.6 | Low | 168 Ų | 168 | 115.6 Ų | 115.6 | 73% | 0.73 | 62% | 0.616 | S | S | * | * | trans | -73.6 | 110.7 | 177.9 | -70.2 | -178.9 | -175.6 | 175.9 | 0 | 104.3 | K30 L34 | K30-K32 PolarHBondContact O-N 3.08Å; K32-L34 PolarHBondContact O-N 3.39Å; K32-L34 VanDerWaalsContact O-N 3.09Å | ||
| 33 | K | 55.8 | Low | 61 | Low | 158 Ų | 158 | 113.2 Ų | 113.2 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | trans | -48 | 122.3 | 166.7 | -168.2 | 176.9 | 170 | -151.3 | 0 | 107.1 | I31 E35 | I31-K33 PolarHBondContact O-N 3.39Å; I31-K33 VanDerWaalsContact O-N 3.16Å; K33-E35 HydrophobicContact CB-CG 4.22Å; K33-E35 HydrophobicContact CD-CG 4.13Å; K33-E35 WeakPolarHBondContact CD-OE1 3.34Å; K33-E35 WeakPolarHBondContact CE-OE1 3.14Å; K33-E35 HydrophobicContact CG-CG 3.91Å; K33-E35 IonicContact NZ-OE1 2.76Å; K33-E35 PolarHBondContact NZ-OE1 3.03Å; K33-E35 PolarHBondContact O-N 3.29Å | ||
| 34 | L | 61.5 | Low | 63.4 | Low | 42 Ų | 42 | 110 Ų | 110 | 22% | 0.22 | 59% | 0.587 | C | S | . | * | trans | -66.1 | 82.3 | -179.1 | -67.9 | -177.3 | 0 | 0 | 0 | 109.4 | K32 I78 D80 | K32-L34 PolarHBondContact O-N 3.39Å; K32-L34 VanDerWaalsContact O-N 3.09Å; L34-I78 HydrophobicContact CB-CG2 4.08Å; L34-I78 HydrophobicContact CD2-CG2 3.62Å; L34-I78 HydrophobicContact CG-CG2 4.33Å; L34-D80 HydrophobicContact CD2-CB 4.47Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.36Å; L34-D80 WeakPolarHBondContact CD2-OD2 3.34Å; L34-D80 WeakPolarHBondContact CG-OD2 3.18Å | ||
| 35 | E | 68.9 | Low | 66 | Low | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | trans | -108.6 | 136.6 | -180 | -66.6 | -168.1 | 163.6 | 0 | 0 | 110.5 | K33 | K33-E35 HydrophobicContact CB-CG 4.22Å; K33-E35 HydrophobicContact CD-CG 4.13Å; K33-E35 WeakPolarHBondContact CD-OE1 3.34Å; K33-E35 WeakPolarHBondContact CE-OE1 3.14Å; K33-E35 HydrophobicContact CG-CG 3.91Å; K33-E35 IonicContact NZ-OE1 2.76Å; K33-E35 PolarHBondContact NZ-OE1 3.03Å; K33-E35 PolarHBondContact O-N 3.29Å | ||
| 36 | P | 71.9 | Confident | 68.1 | Low | 27 Ų | 27 | 97.8 Ų | 97.8 | 18% | 0.175 | 54% | 0.536 | C | S | . | . | trans | -69.2 | 139.7 | 177.2 | 28.3 | -33 | 0 | 0 | 0 | 110.9 | L38 V44 I69 I78 | P36-L38 HydrophobicContact CB-CD2 3.95Å; P36-L38 HydrophobicContact CB-CG 4.44Å; P36-L38 HydrophobicContact CG-CD2 3.94Å; P36-L38 HydrophobicContact CG-CG 4.22Å; P36-L38 PolarHBondContact O-N 2.76Å; P36-V44 HydrophobicContact CG-CG2 4.14Å; P36-I69 HydrophobicContact CB-CD1 3.79Å; P36-I69 HydrophobicContact CG-CD1 3.59Å; P36-I69 HydrophobicContact CG-CG2 4.47Å; P36-I78 HydrophobicContact CB-CD1 4.01Å | ||
| 37 | V | 83.2 | Confident | 71 | Confident | 119 Ų | 119 | 95.2 Ų | 95.2 | 72% | 0.721 | 52% | 0.519 | S | S | * | . | trans | -77.9 | 107.4 | 165.3 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | K74 | V37-K74 PolarHBondContact O-NZ 3.32Š| ||
| 38 | L | 87.7 | Confident | 73.1 | Confident | 72 Ų | 72 | 90.7 Ų | 90.7 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 136.9 | -179.5 | -58.7 | 179.7 | 0 | 0 | 0 | 110.9 | P36 E42 V44 | P36-L38 HydrophobicContact CB-CD2 3.95Å; P36-L38 HydrophobicContact CB-CG 4.44Å; P36-L38 HydrophobicContact CG-CD2 3.94Å; P36-L38 HydrophobicContact CG-CG 4.22Å; P36-L38 PolarHBondContact O-N 2.76Å; L38-E42 WeakPolarHBondContact CA-OE2 3.22Å; L38-E42 HydrophobicContact CB-CB 4.2Å; L38-E42 HydrophobicContact CD2-CG 3.95Å; L38-V44 HydrophobicContact CD1-CG2 4.07Å; L38-V44 HydrophobicContact CD2-CG2 3.98Å |
| 39 | L | 87.7 | Confident | 75.8 | Confident | 53 Ų | 53 | 87.8 Ų | 87.8 | 28% | 0.277 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 159.6 | 169.8 | -61.4 | 176.7 | 0 | 0 | 0 | 111 | G41 E42 F73 L94 | L39-G41 PolarHBondContact O-N 3.49Å; L39-G41 VanDerWaalsContact O-N 3.16Å; L39-E42 HydrophobicContact CB-CB 4.24Å; L39-E42 PolarHBondContact N-OE2 3.46Å; L39-E42 WeakPolarHBondContact O-CB 3.15Å; L39-E42 PolarHBondContact O-N 3.07Å; L39-F73 HydrophobicContact CD1-CD1 4Å; L39-F73 HydrophobicContact CD1-CE1 3.53Å; L39-F73 HydrophobicContact CD1-CZ 3.92Å; L39-L94 HydrophobicContact CD2-CD2 4.4Å |
| 40 | P | 87.5 | Confident | 77.9 | Confident | 136 Ų | 136 | 86.5 Ų | 86.5 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 122.2 | 173.1 | -25.2 | 34.7 | 0 | 0 | 0 | 111.7 | E42 | P40-E42 VanDerWaalsContact C-N 3.31Š|
| 41 | G | 88.6 | Confident | 80.4 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 1.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L39 N72 | L39-G41 PolarHBondContact O-N 3.49Å; L39-G41 VanDerWaalsContact O-N 3.16Å; G41-N72 PolarHBondContact O-ND2 3.06Å |
| 42 | E | 90.6 | Very high | 82.5 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 8% | 0.075 | 39% | 0.393 | C | S | . | . | trans | -77 | 132.7 | 168.9 | -170.4 | 177.2 | 178.2 | 0 | 0 | 110 | L38 L39 P40 S71 N72 F73 K74 | L38-E42 WeakPolarHBondContact CA-OE2 3.22Å; L38-E42 HydrophobicContact CB-CB 4.2Å; L38-E42 HydrophobicContact CD2-CG 3.95Å; L39-E42 HydrophobicContact CB-CB 4.24Å; L39-E42 PolarHBondContact N-OE2 3.46Å; L39-E42 WeakPolarHBondContact O-CB 3.15Å; L39-E42 PolarHBondContact O-N 3.07Å; P40-E42 VanDerWaalsContact C-N 3.31Å; E42-S71 WeakPolarHBondContact OE1-CB 3.16Å; E42-S71 PolarHBondContact OE1-OG 3.03Å; E42-N72 WeakPolarHBondContact CA-OD1 3.36Å; E42-F73 HydrophobicContact CG-CB 3.98Å; E42-K74 WeakPolarHBondContact OE1-CE 3.41Å; E42-K74 VanDerWaalsContact OE1-CG 3.3Å; E42-K74 WeakPolarHBondContact OE1-CG 3.43Å | ||
| 43 | I | 89.7 | Confident | 84.4 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | trans | -124.3 | 135.8 | 178.5 | 59.9 | 171.5 | 0 | 0 | 0 | 109.8 | S71 N72 | I43-S71 CarbonylContact O-C 3.47Å; I43-S71 WeakPolarHBondContact O-CA 3.48Å; I43-S71 WeakPolarHBondContact O-CB 3.37Å; I43-N72 HydrophobicContact CG1-CB 3.82Å; I43-N72 PolarHBondContact N-OD1 3.22Å; I43-N72 PolarHBondContact O-N 3.31Å; I43-N72 PolarHBondContact O-OD1 3.39Å | ||
| 44 | V | 91.9 | Very high | 86 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 35% | 0.352 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128.4 | 169.4 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | P36 L38 I69 | P36-V44 HydrophobicContact CG-CG2 4.14Å; L38-V44 HydrophobicContact CD1-CG2 4.07Å; L38-V44 HydrophobicContact CD2-CG2 3.98Å; V44-I69 HydrophobicContact CB-CG2 4.42Å; V44-I69 HydrophobicContact CG1-CG2 3.68Å; V44-I69 HydrophobicContact CG2-CG2 3.96Å |
| 45 | V | 91 | Very high | 87 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 42% | 0.418 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -51.9 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | C70 A185 | V45-C70 WeakPolarHBondContact CA-O 3.47Å; V45-C70 WeakPolarHBondContact CB-O 3.31Å; V45-C70 PolarHBondContact N-O 3.35Å; V45-A185 HydrophobicContact CG1-CB 3.82Å |
| 46 | N | 90.5 | Very high | 87 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.193 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 156.2 | 177.3 | -79.7 | 73.9 | 0 | 0 | 0 | 110.4 | C70 E181 L182 | N46-C70 PolarHBondContact N-O 3.43Å; N46-C70 VanDerWaalsContact N-O 3.15Å; N46-C70 PolarHBondContact O-N 3.4Å; N46-E181 WeakPolarHBondContact ND2-CB 3.39Å; N46-L182 HydrophobicContact CB-CB 3.9Å; N46-L182 HydrophobicContact CB-CD1 4.25Å; N46-L182 HydrophobicContact CB-CG 4.27Å |
| 47 | E | 91 | Very high | 86.4 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.2 | 168.8 | 59.1 | 177.8 | -176.5 | 0 | 0 | 110.1 | K67 L68 I69 | E47-K67 IonicContact OE1-NZ 2.7Å; E47-K67 IonicContact OE2-NZ 3.86Å; E47-K67 PolarHBondContact OE2-NZ 2.9Å; E47-L68 CarbonylContact C-O 3.58Å; E47-L68 WeakPolarHBondContact CA-O 3.22Å; E47-I69 HydrophobicContact CB-CG1 4.06Å; E47-I69 HydrophobicContact CB-CG2 4.48Å |
| 48 | V | 90.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 130.7 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | V51 K67 L68 E178 V179 L182 | V48-V51 HydrophobicContact CB-CG2 4.05Å; V48-V51 HydrophobicContact CG1-CG2 3.58Å; V48-K67 WeakPolarHBondContact O-CA 3.06Å; V48-K67 WeakPolarHBondContact O-CG 3.35Å; V48-L68 PolarHBondContact N-O 3.5Å; V48-L68 PolarHBondContact O-N 3.45Å; V48-E178 HydrophobicContact CG2-CB 4.27Å; V48-V179 HydrophobicContact CG1-CG2 3.65Å; V48-V179 HydrophobicContact CG2-CG2 4.37Å; V48-L182 HydrophobicContact CB-CD1 4.19Å; V48-L182 HydrophobicContact CG2-CB 3.63Å; V48-L182 HydrophobicContact CG2-CD1 3.68Å; V48-L182 HydrophobicContact CG2-CG 4.13Å |
| 49 | N | 88.5 | Confident | 83.6 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 169.5 | 178.1 | -65.4 | -63 | 0 | 0 | 0 | 111.7 | V51 K67 | N49-V51 PolarHBondContact O-N 3.43Å; N49-V51 VanDerWaalsContact O-N 3.14Å; N49-K67 WeakPolarHBondContact OD1-CE 3.3Å |
| 50 | F | 86.4 | Confident | 82.4 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.4 | 40.7 | 173.5 | -53 | -67.8 | 0 | 0 | 0 | 114.2 | W65 G66 P153 | F50-W65 VanDerWaalsContact O-CZ3 3.28Å; F50-W65 WeakPolarHBondContact O-CZ3 3.15Å; F50-G66 PolarHBondContact N-O 3.4Å; F50-P153 HydrophobicContact CD1-CG 4.23Å |
| 51 | V | 89.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.7 | 176.5 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | V48 N49 G66 L68 F77 F146 F148 | V48-V51 HydrophobicContact CB-CG2 4.05Å; V48-V51 HydrophobicContact CG1-CG2 3.58Å; N49-V51 PolarHBondContact O-N 3.43Å; N49-V51 VanDerWaalsContact O-N 3.14Å; V51-G66 PolarHBondContact N-O 3.32Å; V51-G66 PolarHBondContact O-N 2.77Å; V51-L68 HydrophobicContact CB-CB 4.1Å; V51-L68 HydrophobicContact CG1-CB 4.19Å; V51-L68 HydrophobicContact CG1-CD2 4.34Å; V51-L68 HydrophobicContact CG2-CB 3.75Å; V51-F77 HydrophobicContact CB-CE2 4.35Å; V51-F77 WeakPolarHBondContact O-CE2 3.22Å; V51-F146 HydrophobicContact CG1-CB 3.78Å; V51-F146 HydrophobicContact CG1-CD1 3.99Å; V51-F146 HydrophobicContact CG1-CG 4.25Å; V51-F148 HydrophobicContact CG1-CD1 4.21Å; V51-F148 HydrophobicContact CG1-CE1 4.03Å; V51-F148 HydrophobicContact CG2-CD1 4.06Å; V51-F148 HydrophobicContact CG2-CE1 4.06Å |
| 52 | R | 89.7 | Confident | 80.6 | Confident | 46 Ų | 46 | 64 Ų | 64 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.5 | 175.3 | -169.5 | -172.9 | -60.3 | -152.4 | 15 | 110.2 | S60 D63 L64 W65 F146 R147 D149 | R52-S60 PolarHBondContact NH1-OG 3.42Å; R52-D63 WeakPolarHBondContact CD-OD2 3.33Å; R52-D63 HydrophobicContact CG-CB 3.58Å; R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.34Å; R52-W65 HydrophobicContact CB-CD2 4.23Å; R52-W65 HydrophobicContact CB-CE3 3.95Å; R52-W65 HydrophobicContact CB-CH2 4.34Å; R52-W65 HydrophobicContact CB-CZ3 3.99Å; R52-W65 HydrophobicContact CG-CD2 4.38Å; R52-W65 VanDerWaalsContact NE-CZ2 3.26Å; R52-F146 CarbonylContact O-C 3.51Å; R52-F146 VanDerWaalsContact O-CA 3.3Å; R52-F146 WeakPolarHBondContact O-CA 3.36Å; R52-R147 HydrophobicContact CB-CB 4.37Å; R52-R147 PolarHBondContact N-O 2.92Å; R52-R147 PolarHBondContact O-N 3.32Å; R52-D149 IonicContact CZ-OD2 2.75Å; R52-D149 IonicContact NE-OD2 3.16Å; R52-D149 PolarHBondContact NE-OD2 3.09Å; R52-D149 IonicContact NH2-OD2 2.65Å; R52-D149 PolarHBondContact NH2-OD2 2.8Å |
| 53 | K | 90.8 | Very high | 80.3 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.087 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.5 | 171.6 | -178.6 | -177.6 | 173.2 | -168.9 | 0 | 110 | I55 D63 L64 F77 H98 F146 | K53-I55 HydrophobicContact CD-CD1 4.01Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; K53-D63 WeakPolarHBondContact O-CA 3.47Å; K53-L64 HydrophobicContact CB-CB 4.4Å; K53-L64 PolarHBondContact N-O 3.45Å; K53-L64 PolarHBondContact O-N 3.37Å; K53-F77 HydrophobicContact CB-CD1 4.02Å; K53-F77 HydrophobicContact CB-CD2 4.34Å; K53-F77 HydrophobicContact CB-CE1 3.58Å; K53-F77 HydrophobicContact CB-CE2 3.94Å; K53-F77 HydrophobicContact CB-CG 4.37Å; K53-F77 HydrophobicContact CB-CZ 3.53Å; K53-F77 HydrophobicContact CD-CD1 3.56Å; K53-F77 HydrophobicContact CD-CE1 3.81Å; K53-F77 HydrophobicContact CD-CG 4.13Å; K53-F77 HydrophobicContact CG-CD1 4.41Å; K53-F77 HydrophobicContact CG-CE1 4.35Å; K53-H98 PolarHBondContact NZ-ND1 3.15Å; K53-F146 HydrophobicContact CB-CD1 3.84Å; K53-F146 HydrophobicContact CB-CE1 3.84Å; K53-F146 HydrophobicContact CD-CE1 3.98Å; K53-F146 HydrophobicContact CG-CD1 4.06Å; K53-F146 HydrophobicContact CG-CE1 3.74Å |
| 54 | C | 88.3 | Confident | 80.2 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 10% | 0.095 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.9 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | D63 R145 | C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.5Å; C54-R145 HydrophobicContact CB-CB 4.05Å; C54-R145 PolarHBondContact N-O 2.71Å |
| 55 | I | 82.2 | Confident | 80 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | trans | -103 | -36.6 | -178 | -57.8 | -60.9 | 0 | 0 | 0 | 112 | K53 Y62 D63 L64 M83 | K53-I55 HydrophobicContact CD-CD1 4.01Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; I55-Y62 WeakPolarHBondContact CB-O 3.34Å; I55-Y62 WeakPolarHBondContact CG1-O 3.47Å; I55-D63 PolarHBondContact N-OD1 3.48Å; I55-L64 HydrophobicContact CD1-CD1 3.87Å; I55-L64 HydrophobicContact CD1-CG 4.32Å; I55-L64 HydrophobicContact CG1-CD1 4.09Å; I55-L64 HydrophobicContact CG1-CG 4.02Å; I55-M83 HydrophobicContact CG1-CE 3.98Å; I55-M83 HydrophobicContact CG1-SD 4.34Å; I55-M83 HydrophobicContact CG2-CE 4.34Å; I55-M83 HydrophobicContact CG2-SD 4.38Å | ||
| 56 | A | 68.9 | Low | 79.9 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | trans | -111.2 | 148 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D58 | A56-D58 VanDerWaalsContact C-N 3.35Š| ||
| 57 | T | 60.7 | Low | 79.9 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -79.1 | -15.1 | -178.6 | 43.5 | 0 | 0 | 0 | 0 | 114 | ||
| 58 | D | 55 | Low | 80 | Confident | 132 Ų | 132 | 52.2 Ų | 52.2 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -123.7 | -24.2 | -168 | 58.3 | -1.6 | 0 | 0 | 0 | 114.7 | A56 | A56-D58 VanDerWaalsContact C-N 3.35Š|
| 59 | T | 57.4 | Low | 80.1 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | trans | -135.7 | 121.8 | -177.9 | 33 | 0 | 0 | 0 | 0 | 112.5 | Q61 | T59-Q61 PolarHBondContact O-N 3.25Å; T59-Q61 VanDerWaalsContact O-N 3.12Å | ||
| 60 | S | 62.7 | Low | 80.4 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -71.1 | -1.1 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 113.9 | R52 Y62 D63 | R52-S60 PolarHBondContact NH1-OG 3.42Å; S60-Y62 PolarHBondContact O-N 3.15Å; S60-Y62 VanDerWaalsContact O-N 3.16Å; S60-D63 WeakPolarHBondContact CA-OD2 3.49Å; S60-D63 WeakPolarHBondContact CB-OD2 3.24Å; S60-D63 PolarHBondContact O-N 3.38Å; S60-D63 PolarHBondContact OG-OD2 3.21Å |
| 61 | Q | 64.1 | Low | 80.7 | Confident | 160 Ų | 160 | 44.3 Ų | 44.3 | 75% | 0.748 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -67.3 | -14.6 | -175.1 | -65.9 | -172.7 | -7.6 | 0 | 0 | 114.1 | T59 | T59-Q61 PolarHBondContact O-N 3.25Å; T59-Q61 VanDerWaalsContact O-N 3.12Å |
| 62 | Y | 73.7 | Confident | 80.7 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 45% | 0.451 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -118.6 | 13.2 | -178.8 | -56.6 | -71.8 | 0 | 0 | 0 | 113.3 | I55 S60 M83 L85 | I55-Y62 WeakPolarHBondContact CB-O 3.34Å; I55-Y62 WeakPolarHBondContact CG1-O 3.47Å; S60-Y62 PolarHBondContact O-N 3.15Å; S60-Y62 VanDerWaalsContact O-N 3.16Å; Y62-M83 WeakPolarHBondContact O-CE 3.47Å; Y62-L85 HydrophobicContact CD1-CD1 3.81Å; Y62-L85 HydrophobicContact CE1-CD1 3.62Å |
| 63 | D | 84.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 143.9 | 177.9 | -66.2 | -16.3 | 0 | 0 | 0 | 110.5 | R52 K53 C54 I55 S60 R147 | R52-D63 WeakPolarHBondContact CD-OD2 3.33Å; R52-D63 HydrophobicContact CG-CB 3.58Å; K53-D63 WeakPolarHBondContact O-CA 3.47Å; C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.5Å; I55-D63 PolarHBondContact N-OD1 3.48Å; S60-D63 WeakPolarHBondContact CA-OD2 3.49Å; S60-D63 WeakPolarHBondContact CB-OD2 3.24Å; S60-D63 PolarHBondContact O-N 3.38Å; S60-D63 PolarHBondContact OG-OD2 3.21Å; D63-R147 IonicContact OD2-NH1 3.95Å |
| 64 | L | 86.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.5 | -177.9 | -65.1 | 172 | 0 | 0 | 0 | 110.3 | R52 K53 I55 F77 T79 D81 M83 | R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.34Å; K53-L64 HydrophobicContact CB-CB 4.4Å; K53-L64 PolarHBondContact N-O 3.45Å; K53-L64 PolarHBondContact O-N 3.37Å; I55-L64 HydrophobicContact CD1-CD1 3.87Å; I55-L64 HydrophobicContact CD1-CG 4.32Å; I55-L64 HydrophobicContact CG1-CD1 4.09Å; I55-L64 HydrophobicContact CG1-CG 4.02Å; L64-F77 HydrophobicContact CB-CE1 3.89Å; L64-F77 HydrophobicContact CB-CZ 4.17Å; L64-F77 WeakPolarHBondContact O-CZ 3.37Å; L64-T79 HydrophobicContact CD1-CG2 4.21Å; L64-D81 HydrophobicContact CD2-CB 4.09Å; L64-M83 HydrophobicContact CD1-CE 3.87Å; L64-M83 HydrophobicContact CD1-SD 3.76Å; L64-M83 HydrophobicContact CD2-CB 4.48Å; L64-M83 HydrophobicContact CD2-CE 3.45Å; L64-M83 VanDerWaalsContact CD2-CE 3.45Å; L64-M83 HydrophobicContact CD2-SD 4.25Å; L64-M83 HydrophobicContact CG-CE 3.65Å; L64-M83 HydrophobicContact CG-SD 4.25Å |
| 65 | W | 88.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.9 | 169.3 | -70.7 | 98.4 | 0 | 0 | 0 | 111 | F50 R52 T79 D149 S151 P153 | F50-W65 VanDerWaalsContact O-CZ3 3.28Å; F50-W65 WeakPolarHBondContact O-CZ3 3.15Å; R52-W65 HydrophobicContact CB-CD2 4.23Å; R52-W65 HydrophobicContact CB-CE3 3.95Å; R52-W65 HydrophobicContact CB-CH2 4.34Å; R52-W65 HydrophobicContact CB-CZ3 3.99Å; R52-W65 HydrophobicContact CG-CD2 4.38Å; R52-W65 VanDerWaalsContact NE-CZ2 3.26Å; W65-T79 VanDerWaalsContact O-CB 3.25Å; W65-T79 WeakPolarHBondContact O-CB 3.21Å; W65-T79 PolarHBondContact O-OG1 3.45Å; W65-D149 HydrophobicContact CH2-CB 3.97Å; W65-S151 WeakPolarHBondContact CH2-O 3.2Å; W65-P153 HydrophobicContact CD2-CG 4.28Å; W65-P153 HydrophobicContact CE3-CG 4.49Å; W65-P153 HydrophobicContact CG-CG 4.42Å |
| 66 | G | 89.4 | Confident | 81.7 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -167.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F50 V51 I78 | F50-G66 PolarHBondContact N-O 3.4Å; V51-G66 PolarHBondContact N-O 3.32Å; V51-G66 PolarHBondContact O-N 2.77Å; G66-I78 CarbonylContact C-O 3.48Å; G66-I78 WeakPolarHBondContact CA-O 3.46Å |
| 67 | K | 90.3 | Very high | 82.8 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.7 | 175.1 | -178.4 | -171.4 | -88.1 | -162.5 | 0 | 109.2 | E47 V48 N49 I69 F77 I78 | E47-K67 IonicContact OE1-NZ 2.7Å; E47-K67 IonicContact OE2-NZ 3.86Å; E47-K67 PolarHBondContact OE2-NZ 2.9Å; V48-K67 WeakPolarHBondContact O-CA 3.06Å; V48-K67 WeakPolarHBondContact O-CG 3.35Å; N49-K67 WeakPolarHBondContact OD1-CE 3.3Å; K67-I69 HydrophobicContact CD-CD1 3.66Å; K67-I69 HydrophobicContact CD-CG1 3.82Å; K67-I69 HydrophobicContact CG-CD1 4.22Å; K67-I69 HydrophobicContact CG-CG1 3.88Å; K67-F77 WeakPolarHBondContact O-CA 3.44Å; K67-I78 PolarHBondContact N-O 3.4Å; K67-I78 PolarHBondContact O-N 3.28Å |
| 68 | L | 92.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.3 | 173.2 | -169.8 | 66.3 | 0 | 0 | 0 | 109.6 | E47 V48 V51 I75 F77 L134 F146 F148 L182 | E47-L68 CarbonylContact C-O 3.58Å; E47-L68 WeakPolarHBondContact CA-O 3.22Å; V48-L68 PolarHBondContact N-O 3.5Å; V48-L68 PolarHBondContact O-N 3.45Å; V51-L68 HydrophobicContact CB-CB 4.1Å; V51-L68 HydrophobicContact CG1-CB 4.19Å; V51-L68 HydrophobicContact CG1-CD2 4.34Å; V51-L68 HydrophobicContact CG2-CB 3.75Å; L68-I75 HydrophobicContact CD1-CG2 3.54Å; L68-I75 HydrophobicContact CG-CG2 4.23Å; L68-F77 HydrophobicContact CD1-CB 4.13Å; L68-F77 HydrophobicContact CD1-CD2 4.27Å; L68-L134 HydrophobicContact CD2-CD2 4.26Å; L68-F146 HydrophobicContact CD1-CD1 4.12Å; L68-F146 HydrophobicContact CD1-CD2 4.3Å; L68-F146 HydrophobicContact CD1-CE1 3.74Å; L68-F146 HydrophobicContact CD1-CE2 3.92Å; L68-F146 HydrophobicContact CD1-CG 4.38Å; L68-F146 HydrophobicContact CD1-CZ 3.62Å; L68-F146 HydrophobicContact CD2-CD2 4.24Å; L68-F146 HydrophobicContact CD2-CG 4.21Å; L68-F148 HydrophobicContact CD2-CE1 4.39Å; L68-L182 HydrophobicContact CD2-CD2 3.67Å; L68-L182 HydrophobicContact CG-CD1 4.4Å; L68-L182 HydrophobicContact CG-CD2 4.23Å; L68-L182 WeakPolarHBondContact O-CD1 2.85Å |
| 69 | I | 92.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128 | -175.7 | -53.7 | 179.8 | 0 | 0 | 0 | 108.7 | P36 V44 E47 K67 I75 S76 I78 | P36-I69 HydrophobicContact CB-CD1 3.79Å; P36-I69 HydrophobicContact CG-CD1 3.59Å; P36-I69 HydrophobicContact CG-CG2 4.47Å; V44-I69 HydrophobicContact CB-CG2 4.42Å; V44-I69 HydrophobicContact CG1-CG2 3.68Å; V44-I69 HydrophobicContact CG2-CG2 3.96Å; E47-I69 HydrophobicContact CB-CG1 4.06Å; E47-I69 HydrophobicContact CB-CG2 4.48Å; K67-I69 HydrophobicContact CD-CD1 3.66Å; K67-I69 HydrophobicContact CD-CG1 3.82Å; K67-I69 HydrophobicContact CG-CD1 4.22Å; K67-I69 HydrophobicContact CG-CG1 3.88Å; I69-I75 CarbonylContact O-C 3.51Å; I69-I75 VanDerWaalsContact O-CA 3.31Å; I69-I75 WeakPolarHBondContact O-CA 3.41Å; I69-S76 PolarHBondContact N-O 3.35Å; I69-S76 PolarHBondContact O-N 2.91Å; I69-I78 HydrophobicContact CD1-CD1 3.62Å; I69-I78 HydrophobicContact CD1-CG1 4.42Å |
| 70 | C | 93.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.3 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V45 N46 L182 | V45-C70 WeakPolarHBondContact CA-O 3.47Å; V45-C70 WeakPolarHBondContact CB-O 3.31Å; V45-C70 PolarHBondContact N-O 3.35Å; N46-C70 PolarHBondContact N-O 3.43Å; N46-C70 VanDerWaalsContact N-O 3.15Å; N46-C70 PolarHBondContact O-N 3.4Å; C70-L182 HydrophobicContact CB-CD1 4.13Å; C70-L182 HydrophobicContact CB-CG 3.99Å |
| 71 | S | 92.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 178.7 | 171.3 | 80.3 | 0 | 0 | 0 | 0 | 111.3 | E42 I43 F73 K74 | E42-S71 WeakPolarHBondContact OE1-CB 3.16Å; E42-S71 PolarHBondContact OE1-OG 3.03Å; I43-S71 CarbonylContact O-C 3.47Å; I43-S71 WeakPolarHBondContact O-CA 3.48Å; I43-S71 WeakPolarHBondContact O-CB 3.37Å; S71-F73 PolarHBondContact O-N 2.96Å; S71-F73 PolarHBondContact OG-N 3.28Å; S71-F73 VanDerWaalsContact OG-N 3.08Å; S71-K74 PolarHBondContact N-O 3.33Å; S71-K74 PolarHBondContact OG-N 2.95Å; S71-K74 PolarHBondContact OG-O 3.34Å |
| 72 | N | 91.4 | Very high | 87 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -70.4 | -5.2 | 169.9 | 67.9 | -26.2 | 0 | 0 | 0 | 113.6 | G41 E42 I43 K189 | G41-N72 PolarHBondContact O-ND2 3.06Å; E42-N72 WeakPolarHBondContact CA-OD1 3.36Å; I43-N72 HydrophobicContact CG1-CB 3.82Å; I43-N72 PolarHBondContact N-OD1 3.22Å; I43-N72 PolarHBondContact O-N 3.31Å; I43-N72 PolarHBondContact O-OD1 3.39Å; N72-K189 WeakPolarHBondContact O-CE 3.4Å |
| 73 | F | 91.4 | Very high | 86.5 | Confident | 75 Ų | 75 | 31.5 Ų | 31.5 | 33% | 0.329 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -120.9 | -40.8 | -173.8 | 176.6 | -114.3 | 0 | 0 | 0 | 113.5 | L39 E42 S71 L95 L102 | L39-F73 HydrophobicContact CD1-CD1 4Å; L39-F73 HydrophobicContact CD1-CE1 3.53Å; L39-F73 HydrophobicContact CD1-CZ 3.92Å; E42-F73 HydrophobicContact CG-CB 3.98Å; S71-F73 PolarHBondContact O-N 2.96Å; S71-F73 PolarHBondContact OG-N 3.28Å; S71-F73 VanDerWaalsContact OG-N 3.08Å; F73-L95 HydrophobicContact CE1-CD2 3.7Å; F73-L95 HydrophobicContact CZ-CD2 4.37Å; F73-L102 WeakPolarHBondContact O-CG 3.47Å; F73-L102 PolarHBondContact O-N 2.97Å |
| 74 | K | 92.5 | Very high | 85 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 164.5 | -172.5 | 59.3 | -176.3 | 177.3 | 171.7 | 0 | 112.1 | V37 E42 S71 L95 D99 V100 | V37-K74 PolarHBondContact O-NZ 3.32Å; E42-K74 WeakPolarHBondContact OE1-CE 3.41Å; E42-K74 VanDerWaalsContact OE1-CG 3.3Å; E42-K74 WeakPolarHBondContact OE1-CG 3.43Å; S71-K74 PolarHBondContact N-O 3.33Å; S71-K74 PolarHBondContact OG-N 2.95Å; S71-K74 PolarHBondContact OG-O 3.34Å; K74-L95 HydrophobicContact CB-CD2 4.38Å; K74-L95 HydrophobicContact CD-CD2 3.7Å; K74-D99 HydrophobicContact CD-CB 4.19Å; K74-D99 WeakPolarHBondContact CD-OD2 3.4Å; K74-D99 WeakPolarHBondContact CE-OD2 3.3Å; K74-D99 IonicContact NZ-OD2 3.13Å; K74-D99 PolarHBondContact NZ-OD2 2.96Å; K74-V100 CarbonylContact C-O 3.53Å; K74-V100 WeakPolarHBondContact CA-O 3.46Å |
| 75 | I | 93.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.3 | 160.6 | -64.3 | 172.5 | 0 | 0 | 0 | 106.3 | L68 I69 D99 V100 L102 I105 I136 A186 | L68-I75 HydrophobicContact CD1-CG2 3.54Å; L68-I75 HydrophobicContact CG-CG2 4.23Å; I69-I75 CarbonylContact O-C 3.51Å; I69-I75 VanDerWaalsContact O-CA 3.31Å; I69-I75 WeakPolarHBondContact O-CA 3.41Å; I75-D99 CarbonylContact O-C 3.55Å; I75-D99 WeakPolarHBondContact O-CA 3.18Å; I75-V100 PolarHBondContact N-O 3.48Å; I75-V100 PolarHBondContact O-N 2.97Å; I75-L102 HydrophobicContact CD1-CD2 4.15Å; I75-L102 HydrophobicContact CG1-CD2 3.83Å; I75-I105 HydrophobicContact CD1-CD1 3.56Å; I75-I105 HydrophobicContact CG1-CD1 4.33Å; I75-I136 HydrophobicContact CD1-CD1 3.63Å; I75-I136 HydrophobicContact CG2-CD1 4.49Å; I75-A186 HydrophobicContact CD1-CB 4Å |
| 76 | S | 92.6 | Very high | 81.9 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | I69 D99 | I69-S76 PolarHBondContact N-O 3.35Å; I69-S76 PolarHBondContact O-N 2.91Å; S76-D99 WeakPolarHBondContact CA-OD1 3.21Å; S76-D99 WeakPolarHBondContact CB-OD1 3.47Å; S76-D99 PolarHBondContact OG-OD1 3.14Å |
| 77 | F | 92.4 | Very high | 80.2 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.9 | 172.3 | 177.3 | -99.4 | 0 | 0 | 0 | 108.8 | V51 K53 L64 K67 L68 T79 H98 F146 | V51-F77 HydrophobicContact CB-CE2 4.35Å; V51-F77 WeakPolarHBondContact O-CE2 3.22Å; K53-F77 HydrophobicContact CB-CD1 4.02Å; K53-F77 HydrophobicContact CB-CD2 4.34Å; K53-F77 HydrophobicContact CB-CE1 3.58Å; K53-F77 HydrophobicContact CB-CE2 3.94Å; K53-F77 HydrophobicContact CB-CG 4.37Å; K53-F77 HydrophobicContact CB-CZ 3.53Å; K53-F77 HydrophobicContact CD-CD1 3.56Å; K53-F77 HydrophobicContact CD-CE1 3.81Å; K53-F77 HydrophobicContact CD-CG 4.13Å; K53-F77 HydrophobicContact CG-CD1 4.41Å; K53-F77 HydrophobicContact CG-CE1 4.35Å; L64-F77 HydrophobicContact CB-CE1 3.89Å; L64-F77 HydrophobicContact CB-CZ 4.17Å; L64-F77 WeakPolarHBondContact O-CZ 3.37Å; K67-F77 WeakPolarHBondContact O-CA 3.44Å; L68-F77 HydrophobicContact CD1-CB 4.13Å; L68-F77 HydrophobicContact CD1-CD2 4.27Å; F77-T79 HydrophobicContact CE1-CG2 4.16Å; F77-H98 HydrophobicContact CB-CB 4Å; F77-H98 HydrophobicContact CD1-CB 4.1Å; F77-H98 AromaticContact CD1-CD2 3.8Å; F77-H98 WeakPolarHBondContact O-CB 3.45Å; F77-F146 HydrophobicContact CB-CE1 3.81Å; F77-F146 HydrophobicContact CB-CZ 4.13Å; F77-F146 HydrophobicContact CD2-CD1 4.08Å; F77-F146 AromaticContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CE2-CD1 4.45Å; F77-F146 HydrophobicContact CE2-CE1 4.35Å; F77-F146 AromaticContact CG-CE1 3.73Å; F77-F146 HydrophobicContact CG-CE1 3.73Å |
| 78 | I | 89.2 | Confident | 78.7 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.1 | -175.1 | -47.8 | 178.6 | 0 | 0 | 0 | 108.1 | L34 P36 G66 K67 I69 | L34-I78 HydrophobicContact CB-CG2 4.08Å; L34-I78 HydrophobicContact CD2-CG2 3.62Å; L34-I78 HydrophobicContact CG-CG2 4.33Å; P36-I78 HydrophobicContact CB-CD1 4.01Å; G66-I78 CarbonylContact C-O 3.48Å; G66-I78 WeakPolarHBondContact CA-O 3.46Å; K67-I78 PolarHBondContact N-O 3.4Å; K67-I78 PolarHBondContact O-N 3.28Å; I69-I78 HydrophobicContact CD1-CD1 3.62Å; I69-I78 HydrophobicContact CD1-CG1 4.42Å |
| 79 | T | 87.1 | Confident | 76.9 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | trans | -131.7 | 143.4 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | L64 W65 F77 D81 | L64-T79 HydrophobicContact CD1-CG2 4.21Å; W65-T79 VanDerWaalsContact O-CB 3.25Å; W65-T79 WeakPolarHBondContact O-CB 3.21Å; W65-T79 PolarHBondContact O-OG1 3.45Å; F77-T79 HydrophobicContact CE1-CG2 4.16Å; T79-D81 PolarHBondContact OG1-N 2.7Å | ||
| 80 | D | 77.7 | Confident | 75.3 | Confident | 112 Ų | 112 | 71.6 Ų | 71.6 | 60% | 0.599 | 36% | 0.357 | S | S | * | . | trans | -87.5 | -12.7 | 171.3 | -78.7 | -43.5 | 0 | 0 | 0 | 112.3 | L34 P82 | L34-D80 HydrophobicContact CD2-CB 4.47Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.36Å; L34-D80 WeakPolarHBondContact CD2-OD2 3.34Å; L34-D80 WeakPolarHBondContact CG-OD2 3.18Å; D80-P82 VanDerWaalsContact O-CD 3.25Å; D80-P82 WeakPolarHBondContact O-CD 3.43Å | ||
| 81 | D | 72.6 | Confident | 73.9 | Confident | 87 Ų | 87 | 80.7 Ų | 80.7 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -74.3 | 115.1 | -174.7 | -166 | -8 | 0 | 0 | 0 | 109.8 | L64 T79 M83 | L64-D81 HydrophobicContact CD2-CB 4.09Å; T79-D81 PolarHBondContact OG1-N 2.7Å; D81-M83 PolarHBondContact O-N 3.25Å |
| 82 | P | 61.2 | Low | 72.8 | Confident | 107 Ų | 107 | 84.1 Ų | 84.1 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | trans | -68.9 | 97.2 | 180 | 28.5 | -34.4 | 0 | 0 | 0 | 109.7 | D80 P84 | D80-P82 VanDerWaalsContact O-CD 3.25Å; D80-P82 WeakPolarHBondContact O-CD 3.43Å; P82-P84 WeakPolarHBondContact O-CD 3.36Å; P82-P84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | M | 64.8 | Low | 72 | Confident | 40 Ų | 40 | 90.4 Ų | 90.4 | 20% | 0.197 | 44% | 0.442 | C | S | . | . | trans | -61.1 | 115.3 | 177.9 | -177.3 | 136 | -91 | 0 | 0 | 110.7 | I55 Y62 L64 D81 L85 Q86 | I55-M83 HydrophobicContact CG1-CE 3.98Å; I55-M83 HydrophobicContact CG1-SD 4.34Å; I55-M83 HydrophobicContact CG2-CE 4.34Å; I55-M83 HydrophobicContact CG2-SD 4.38Å; Y62-M83 WeakPolarHBondContact O-CE 3.47Å; L64-M83 HydrophobicContact CD1-CE 3.87Å; L64-M83 HydrophobicContact CD1-SD 3.76Å; L64-M83 HydrophobicContact CD2-CB 4.48Å; L64-M83 HydrophobicContact CD2-CE 3.45Å; L64-M83 VanDerWaalsContact CD2-CE 3.45Å; L64-M83 HydrophobicContact CD2-SD 4.25Å; L64-M83 HydrophobicContact CG-CE 3.65Å; L64-M83 HydrophobicContact CG-SD 4.25Å; D81-M83 PolarHBondContact O-N 3.25Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.04Å; M83-Q86 HydrophobicContact CG-CB 4.44Å; M83-Q86 HydrophobicContact SD-CB 4.44Å | ||
| 84 | P | 51.9 | Low | 71.3 | Confident | 113 Ų | 113 | 92 Ų | 92 | 73% | 0.734 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -81 | -14.9 | -176.2 | 27.8 | -27.7 | 0 | 0 | 0 | 113.1 | P82 | P82-P84 WeakPolarHBondContact O-CD 3.36Å; P82-P84 VanDerWaalsContact O-N 3.12Å |
| 85 | L | 53.2 | Low | 70.9 | Confident | 122 Ų | 122 | 93.1 Ų | 93.1 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -111.1 | -15.5 | -159 | -81.9 | 155.1 | 0 | 0 | 0 | 116.2 | Y62 M83 | Y62-L85 HydrophobicContact CD1-CD1 3.81Å; Y62-L85 HydrophobicContact CE1-CD1 3.62Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.04Å |
| 86 | Q | 56.6 | Low | 70.4 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | trans | -131.2 | 75.9 | -172.1 | -154.8 | 166.5 | 56.1 | 0 | 0 | 111.9 | M83 F88 | M83-Q86 HydrophobicContact CG-CB 4.44Å; M83-Q86 HydrophobicContact SD-CB 4.44Å; Q86-F88 HydrophobicContact CG-CE1 4.29Å; Q86-F88 HydrophobicContact CG-CE2 4.21Å; Q86-F88 HydrophobicContact CG-CZ 4Å; Q86-F88 WeakPolarHBondContact O-CD2 3.05Å; Q86-F88 PolarHBondContact O-N 2.58Å; Q86-F88 VanDerWaalsContact OE1-CZ 3.31Å | ||
| 87 | K | 54.5 | Low | 69.9 | Low | 183 Ų | 183 | 98.8 Ų | 98.8 | 80% | 0.796 | 50% | 0.495 | S | S | * | . | trans | -69.6 | 101.6 | 165.7 | -68.1 | -175.3 | -179.3 | 177.7 | 0 | 107.9 | H89 | K87-H89 PolarHBondContact O-CD2 2.88Å; K87-H89 PolarHBondContact O-N 2.86Å | ||
| 88 | F | 58.6 | Low | 69.6 | Low | 77 Ų | 77 | 99.3 Ų | 99.3 | 34% | 0.338 | 50% | 0.497 | S | S | . | . | trans | -60.9 | 114.9 | 169.4 | -64.7 | -86.2 | 0 | 0 | 0 | 108.6 | Q86 Y90 E97 | Q86-F88 HydrophobicContact CG-CE1 4.29Å; Q86-F88 HydrophobicContact CG-CE2 4.21Å; Q86-F88 HydrophobicContact CG-CZ 4Å; Q86-F88 WeakPolarHBondContact O-CD2 3.05Å; Q86-F88 PolarHBondContact O-N 2.58Å; Q86-F88 VanDerWaalsContact OE1-CZ 3.31Å; F88-Y90 PolarHBondContact O-N 2.82Å; F88-Y90 VanDerWaalsContact O-N 3.15Å; F88-E97 HydrophobicContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-OE1 3.24Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.2Å; F88-E97 HydrophobicContact CE2-CG 3.64Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.34Å; F88-E97 HydrophobicContact CG-CG 4.44Å | ||
| 89 | H | 55.5 | Low | 69.7 | Low | 199 Ų | 199 | 98.3 Ų | 98.3 | 92% | 0.921 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -67.2 | -10.5 | 178 | -76.5 | -115.2 | 0 | 0 | 0 | 112.4 | K87 | K87-H89 PolarHBondContact O-CD2 2.88Å; K87-H89 PolarHBondContact O-N 2.86Å |
| 90 | Y | 58.6 | Low | 70 | Confident | 179 Ų | 179 | 97.1 Ų | 97.1 | 70% | 0.702 | 49% | 0.485 | S | S | * | . | trans | -119.4 | 119.7 | 173.4 | -174.9 | -97.2 | 0 | 0 | 0 | 109.5 | F88 | F88-Y90 PolarHBondContact O-N 2.82Å; F88-Y90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | R | 63.1 | Low | 70.6 | Confident | 193 Ų | 193 | 92.5 Ų | 92.5 | 73% | 0.728 | 46% | 0.461 | S | S | * | . | trans | -107.7 | 125.6 | 172.7 | -69.6 | -169.9 | 173.5 | -165.5 | -6.1 | 109 | ||||
| 92 | N | 69.7 | Low | 71.6 | Confident | 73 Ų | 73 | 88.4 Ų | 88.4 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | trans | -75 | 135.5 | 171.4 | -141.1 | -68.4 | 0 | 0 | 0 | 108.3 | L94 L95 | N92-L94 VanDerWaalsContact C-N 3.28Å; N92-L95 HydrophobicContact CB-CB 3.85Å; N92-L95 VanDerWaalsContact O-O 3.14Å | ||
| 93 | L | 75.5 | Confident | 72.9 | Confident | 174 Ų | 174 | 86.1 Ų | 86.1 | 91% | 0.911 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -76.4 | -20.1 | 179.7 | -65.5 | 174.5 | 0 | 0 | 0 | 112.5 | ||
| 94 | L | 75.8 | Confident | 74.2 | Confident | 109 Ų | 109 | 85.1 Ų | 85.1 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -108.5 | -20.5 | -175.8 | -60.1 | 177.3 | 0 | 0 | 0 | 113.5 | L39 N92 | L39-L94 HydrophobicContact CD2-CD2 4.4Å; N92-L94 VanDerWaalsContact C-N 3.28Å |
| 95 | L | 83.8 | Confident | 76.2 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -117.5 | 137.9 | -176.1 | -62.7 | 173.7 | 0 | 0 | 0 | 109.5 | F73 K74 N92 D99 P101 | F73-L95 HydrophobicContact CE1-CD2 3.7Å; F73-L95 HydrophobicContact CZ-CD2 4.37Å; K74-L95 HydrophobicContact CB-CD2 4.38Å; K74-L95 HydrophobicContact CD-CD2 3.7Å; N92-L95 HydrophobicContact CB-CB 3.85Å; N92-L95 VanDerWaalsContact O-O 3.14Å; L95-D99 HydrophobicContact CB-CB 4.02Å; L95-D99 HydrophobicContact CD2-CB 4.25Å; L95-P101 HydrophobicContact CD1-CB 4.12Å; L95-P101 HydrophobicContact CD1-CG 3.79Å; L95-P101 HydrophobicContact CD2-CB 4.47Å |
| 96 | G | 83 | Confident | 78 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 38% | 0.381 | 38% | 0.38 | S | S | . | . | trans | -62.8 | 166.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H98 D99 | G96-H98 PolarHBondContact O-N 2.88Å; G96-H98 VanDerWaalsContact O-N 3.12Å; G96-D99 WeakPolarHBondContact CA-OD2 3.38Å; G96-D99 VanDerWaalsContact N-CG 3.29Å; G96-D99 PolarHBondContact N-OD2 3.04Å; G96-D99 PolarHBondContact O-N 2.8Å; G96-D99 VanDerWaalsContact O-N 3.14Å | ||
| 97 | E | 82.6 | Confident | 79.7 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.5 | -174.8 | -170.6 | 170.6 | 152.8 | 0 | 0 | 113.7 | F88 | F88-E97 HydrophobicContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-OE1 3.24Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.2Å; F88-E97 HydrophobicContact CE2-CG 3.64Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.34Å; F88-E97 HydrophobicContact CG-CG 4.44Å |
| 98 | H | 87.6 | Confident | 81.5 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 9.2 | -178.1 | -57.7 | -30.5 | 0 | 0 | 0 | 113.1 | K53 F77 G96 | K53-H98 PolarHBondContact NZ-ND1 3.15Å; F77-H98 HydrophobicContact CB-CB 4Å; F77-H98 HydrophobicContact CD1-CB 4.1Å; F77-H98 AromaticContact CD1-CD2 3.8Å; F77-H98 WeakPolarHBondContact O-CB 3.45Å; G96-H98 PolarHBondContact O-N 2.88Å; G96-H98 VanDerWaalsContact O-N 3.12Å |
| 99 | D | 90.8 | Very high | 83.1 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | trans | -76.3 | 138.5 | -177.9 | -70.5 | 0.3 | 0 | 0 | 0 | 111 | K74 I75 S76 L95 G96 | K74-D99 HydrophobicContact CD-CB 4.19Å; K74-D99 WeakPolarHBondContact CD-OD2 3.4Å; K74-D99 WeakPolarHBondContact CE-OD2 3.3Å; K74-D99 IonicContact NZ-OD2 3.13Å; K74-D99 PolarHBondContact NZ-OD2 2.96Å; I75-D99 CarbonylContact O-C 3.55Å; I75-D99 WeakPolarHBondContact O-CA 3.18Å; S76-D99 WeakPolarHBondContact CA-OD1 3.21Å; S76-D99 WeakPolarHBondContact CB-OD1 3.47Å; S76-D99 PolarHBondContact OG-OD1 3.14Å; L95-D99 HydrophobicContact CB-CB 4.02Å; L95-D99 HydrophobicContact CD2-CB 4.25Å; G96-D99 WeakPolarHBondContact CA-OD2 3.38Å; G96-D99 VanDerWaalsContact N-CG 3.29Å; G96-D99 PolarHBondContact N-OD2 3.04Å; G96-D99 PolarHBondContact O-N 2.8Å; G96-D99 VanDerWaalsContact O-N 3.14Å | ||
| 100 | V | 92 | Very high | 84.9 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.4 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | K74 I75 I105 I136 V144 | K74-V100 CarbonylContact C-O 3.53Å; K74-V100 WeakPolarHBondContact CA-O 3.46Å; I75-V100 PolarHBondContact N-O 3.48Å; I75-V100 PolarHBondContact O-N 2.97Å; V100-I105 HydrophobicContact CG1-CD1 4.28Å; V100-I105 HydrophobicContact CG1-CG1 3.74Å; V100-I136 HydrophobicContact CG1-CG2 4.45Å; V100-V144 HydrophobicContact CG2-CG2 3.97Å |
| 101 | P | 91.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 139.7 | 177.9 | 28.7 | -30.8 | 0 | 0 | 0 | 109.2 | L95 T103 C104 | L95-P101 HydrophobicContact CD1-CB 4.12Å; L95-P101 HydrophobicContact CD1-CG 3.79Å; L95-P101 HydrophobicContact CD2-CB 4.47Å; P101-T103 PolarHBondContact O-N 3.25Å; P101-C104 HydrophobicContact CG-CB 3.7Å; P101-C104 WeakPolarHBondContact O-CB 3.45Å; P101-C104 PolarHBondContact O-N 3.26Å |
| 102 | L | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.6 | -176.6 | -66.6 | 178.8 | 0 | 0 | 0 | 112.5 | F73 I75 C104 I105 K189 L190 L193 | F73-L102 WeakPolarHBondContact O-CG 3.47Å; F73-L102 PolarHBondContact O-N 2.97Å; I75-L102 HydrophobicContact CD1-CD2 4.15Å; I75-L102 HydrophobicContact CG1-CD2 3.83Å; L102-C104 VanDerWaalsContact C-N 3.31Å; L102-C104 PolarHBondContact O-N 3.45Å; L102-I105 HydrophobicContact CD2-CD1 3.79Å; L102-I105 PolarHBondContact O-N 3.37Å; L102-K189 HydrophobicContact CD1-CB 3.96Å; L102-K189 HydrophobicContact CD1-CG 3.31Å; L102-L190 WeakPolarHBondContact O-CD1 3.4Å; L102-L193 HydrophobicContact CB-CD1 3.48Å; L102-L193 VanDerWaalsContact CB-CD1 3.48Å; L102-L193 HydrophobicContact CD1-CD1 4.09Å; L102-L193 HydrophobicContact CG-CD1 4.47Å |
| 103 | T | 90.3 | Very high | 88.4 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.5 | 176.2 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | P101 K139 | P101-T103 PolarHBondContact O-N 3.25Å; T103-K139 PolarHBondContact O-NZ 3.09Å |
| 104 | C | 91.5 | Very high | 88.8 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -17.7 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 112 | P101 L102 E106 C138 K139 D140 | P101-C104 HydrophobicContact CG-CB 3.7Å; P101-C104 WeakPolarHBondContact O-CB 3.45Å; P101-C104 PolarHBondContact O-N 3.26Å; L102-C104 VanDerWaalsContact C-N 3.31Å; L102-C104 PolarHBondContact O-N 3.45Å; C104-E106 PolarHBondContact O-N 3.36Å; C104-C138 CarbonylContact O-C 3.58Å; C104-C138 WeakPolarHBondContact O-CA 3.36Å; C104-K139 WeakPolarHBondContact O-CG 3.37Å; C104-K139 PolarHBondContact O-N 3.46Å; C104-D140 PolarHBondContact SG-OD2 2.89Å; C104-D140 VanDerWaalsContact SG-OD2 3.37Å |
| 105 | I | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.3 | 179.1 | -54.9 | 177.2 | 0 | 0 | 0 | 109.9 | I75 V100 L102 I108 I136 L190 | I75-I105 HydrophobicContact CD1-CD1 3.56Å; I75-I105 HydrophobicContact CG1-CD1 4.33Å; V100-I105 HydrophobicContact CG1-CD1 4.28Å; V100-I105 HydrophobicContact CG1-CG1 3.74Å; L102-I105 HydrophobicContact CD2-CD1 3.79Å; L102-I105 PolarHBondContact O-N 3.37Å; I105-I108 HydrophobicContact CG2-CD1 4.3Å; I105-I108 HydrophobicContact CG2-CG1 3.72Å; I105-I136 HydrophobicContact CB-CG2 4.35Å; I105-I136 HydrophobicContact CD1-CG2 4.05Å; I105-I136 HydrophobicContact CG1-CG2 3.81Å; I105-I136 HydrophobicContact CG2-CG2 3.79Å; I105-L190 HydrophobicContact CB-CD1 4.04Å; I105-L190 HydrophobicContact CB-CD2 4.21Å; I105-L190 HydrophobicContact CG2-CD1 4.38Å; I105-L190 HydrophobicContact CG2-CD2 3.62Å; I105-L190 WeakPolarHBondContact O-CD1 3.46Å |
| 106 | E | 91.8 | Very high | 89.2 | Confident | 113 Ų | 113 | 50 Ų | 50 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -51 | 173 | -176.5 | 167.5 | -166.5 | 0 | 0 | 110.3 | C104 Y137 K139 K194 | C104-E106 PolarHBondContact O-N 3.36Å; E106-Y137 WeakPolarHBondContact CB-O 3.46Å; E106-Y137 PolarHBondContact N-O 3.03Å; E106-K139 HydrophobicContact CB-CG 4Å; E106-K194 PolarHBondContact O-NZ 2.97Å |
| 107 | Q | 91.8 | Very high | 89.4 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 141 | -173.3 | -170.6 | 178 | 58.9 | 0 | 0 | 111.3 | V109 V120 Y137 | Q107-V109 HydrophobicContact CG-CG2 4.12Å; Q107-V120 HydrophobicContact CG-CG1 3.64Å; Q107-V120 VanDerWaalsContact NE2-CG1 3.29Å; Q107-Y137 HydrophobicContact CB-CD2 4.32Å; Q107-Y137 PolarHBondContact N-O 3.18Å; Q107-Y137 PolarHBondContact O-N 3.04Å |
| 108 | I | 92.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.8 | 172.8 | -59.6 | 179.1 | 0 | 0 | 0 | 108.1 | I105 L121 L134 A186 L190 | I105-I108 HydrophobicContact CG2-CD1 4.3Å; I105-I108 HydrophobicContact CG2-CG1 3.72Å; I108-L121 HydrophobicContact CG2-CD1 4.21Å; I108-L121 PolarHBondContact O-N 3.21Å; I108-L134 HydrophobicContact CG2-CD1 3.38Å; I108-A186 HydrophobicContact CD1-CB 3.89Å; I108-L190 HydrophobicContact CD1-CD2 4.22Å; I108-L190 HydrophobicContact CG1-CD2 4.18Å |
| 109 | V | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.2 | -179.1 | 177.4 | 0 | 0 | 0 | 0 | 109 | Q107 V111 Q118 V120 I135 Y137 | Q107-V109 HydrophobicContact CG-CG2 4.12Å; V109-V111 HydrophobicContact CG1-CG2 4.39Å; V109-Q118 HydrophobicContact CG1-CG 3.64Å; V109-V120 HydrophobicContact CG2-CG2 3.99Å; V109-I135 HydrophobicContact CB-CB 4.21Å; V109-I135 PolarHBondContact N-O 3.32Å; V109-I135 PolarHBondContact O-N 3.3Å; V109-Y137 HydrophobicContact CB-CE2 4.22Å; V109-Y137 HydrophobicContact CG2-CD2 4Å; V109-Y137 HydrophobicContact CG2-CE2 3.63Å |
| 110 | T | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.3 | 173.8 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | Q118 K119 L121 L127 P131 E133 L134 V183 | T110-Q118 CarbonylContact O-C 3.44Å; T110-Q118 WeakPolarHBondContact O-CA 3.5Å; T110-K119 PolarHBondContact N-O 3.49Å; T110-K119 PolarHBondContact O-N 3.46Å; T110-K119 PolarHBondContact OG1-O 3.14Å; T110-L121 HydrophobicContact CG2-CD1 3.48Å; T110-L121 VanDerWaalsContact CG2-CD1 3.48Å; T110-L121 HydrophobicContact CG2-CG 3.94Å; T110-L127 HydrophobicContact CG2-CD2 4.15Å; T110-P131 HydrophobicContact CG2-CB 3.99Å; T110-P131 HydrophobicContact CG2-CG 4.45Å; T110-E133 WeakPolarHBondContact CA-O 3.42Å; T110-L134 HydrophobicContact CG2-CD1 4.23Å; T110-V183 HydrophobicContact CG2-CG1 3.49Å; T110-V183 VanDerWaalsContact CG2-CG1 3.49Å |
| 111 | V | 91.1 | Very high | 89.4 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.9 | 176 | -174.3 | 0 | 0 | 0 | 0 | 108 | V109 K117 Q118 P131 T132 E133 I135 | V109-V111 HydrophobicContact CG1-CG2 4.39Å; V111-K117 CarbonylContact C-O 3.48Å; V111-K117 WeakPolarHBondContact CA-O 3.47Å; V111-Q118 HydrophobicContact CG2-CB 4.3Å; V111-Q118 HydrophobicContact CG2-CG 3.95Å; V111-P131 CarbonylContact O-C 3.54Å; V111-P131 WeakPolarHBondContact O-CA 3.25Å; V111-T132 PolarHBondContact O-N 3.22Å; V111-T132 PolarHBondContact O-OG1 3.44Å; V111-E133 HydrophobicContact CB-CB 4.16Å; V111-E133 PolarHBondContact N-O 3.4Å; V111-E133 PolarHBondContact O-N 2.75Å; V111-I135 HydrophobicContact CG2-CD1 3.87Å |
| 112 | N | 89.9 | Confident | 88.8 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.032 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 110.6 | 166.1 | 175.9 | -42.3 | 0 | 0 | 0 | 107.5 | H114 K115 R116 K117 F129 N130 T132 | N112-H114 WeakPolarHBondContact OD1-CB 3.34Å; N112-H114 PolarHBondContact OD1-N 3.49Å; N112-H114 VanDerWaalsContact OD1-N 3.07Å; N112-K115 WeakPolarHBondContact OD1-CB 3.34Å; N112-K115 PolarHBondContact OD1-N 3.2Å; N112-R116 WeakPolarHBondContact O-CA 3.28Å; N112-R116 PolarHBondContact O-N 3.46Å; N112-K117 PolarHBondContact N-O 2.89Å; N112-K117 PolarHBondContact O-N 3.08Å; N112-F129 HydrophobicContact CB-CD2 3.38Å; N112-F129 HydrophobicContact CB-CE2 3.62Å; N112-F129 HydrophobicContact CB-CG 4.36Å; N112-N130 WeakPolarHBondContact CB-O 3.04Å; N112-N130 PolarHBondContact ND2-O 3.22Å; N112-T132 WeakPolarHBondContact CA-OG1 3.06Å |
| 113 | D | 84.9 | Confident | 87.5 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -38.8 | -176.9 | -72.3 | -33 | 0 | 0 | 0 | 112.2 | K115 R116 T132 | D113-K115 VanDerWaalsContact C-N 3.3Å; D113-K115 PolarHBondContact O-N 3.43Å; D113-R116 PolarHBondContact O-N 2.9Å; D113-R116 VanDerWaalsContact O-N 3.08Å; D113-T132 PolarHBondContact N-OG1 3.1Å; D113-T132 VanDerWaalsContact N-OG1 3.07Å |
| 114 | H | 83.8 | Confident | 86.3 | Confident | 134 Ų | 134 | 67.5 Ų | 67.5 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -42.7 | 178.4 | -56.9 | -79.7 | 0 | 0 | 0 | 112.3 | N112 T132 | N112-H114 WeakPolarHBondContact OD1-CB 3.34Å; N112-H114 PolarHBondContact OD1-N 3.49Å; N112-H114 VanDerWaalsContact OD1-N 3.07Å; H114-T132 WeakPolarHBondContact CD2-CG2 3.48Å |
| 115 | K | 82.9 | Confident | 85.3 | Confident | 116 Ų | 116 | 70.7 Ų | 70.7 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1.6 | -179.3 | -62.8 | -179.9 | -178.5 | 169.7 | 0 | 112.2 | N112 D113 K117 F129 | N112-K115 WeakPolarHBondContact OD1-CB 3.34Å; N112-K115 PolarHBondContact OD1-N 3.2Å; D113-K115 VanDerWaalsContact C-N 3.3Å; D113-K115 PolarHBondContact O-N 3.43Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 HydrophobicContact CB-CD 4.19Å; K115-K117 HydrophobicContact CB-CG 4.23Å; K115-K117 WeakPolarHBondContact O-CG 3.49Å; K115-K117 PolarHBondContact O-N 3.37Å; K115-F129 HydrophobicContact CD-CB 4.42Å |
| 116 | R | 84.4 | Confident | 84.3 | Confident | 237 Ų | 237 | 79.1 Ų | 79.1 | 89% | 0.894 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 49.3 | -171.3 | -63.7 | -169.5 | -177.9 | -145.4 | 1.7 | 112.6 | N112 D113 | N112-R116 WeakPolarHBondContact O-CA 3.28Å; N112-R116 PolarHBondContact O-N 3.46Å; D113-R116 PolarHBondContact O-N 2.9Å; D113-R116 VanDerWaalsContact O-N 3.08Å |
| 117 | K | 86.8 | Confident | 83.6 | Confident | 113 Ų | 113 | 74.3 Ų | 74.3 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.5 | -179.7 | -72 | 179.9 | -174.3 | 179.2 | 0 | 110.2 | V111 N112 K115 F129 | V111-K117 CarbonylContact C-O 3.48Å; V111-K117 WeakPolarHBondContact CA-O 3.47Å; N112-K117 PolarHBondContact N-O 2.89Å; N112-K117 PolarHBondContact O-N 3.08Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 HydrophobicContact CB-CD 4.19Å; K115-K117 HydrophobicContact CB-CG 4.23Å; K115-K117 WeakPolarHBondContact O-CG 3.49Å; K115-K117 PolarHBondContact O-N 3.37Å; K117-F129 HydrophobicContact CB-CD1 4.34Å; K117-F129 HydrophobicContact CB-CE1 4.23Å; K117-F129 HydrophobicContact CB-CZ 4.41Å; K117-F129 HydrophobicContact CD-CD1 4.35Å |
| 118 | Q | 89.9 | Confident | 82.9 | Confident | 128 Ų | 128 | 79.6 Ų | 79.6 | 60% | 0.598 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.8 | 170.1 | 175 | 175.7 | 1 | 0 | 0 | 109.1 | V109 T110 V111 | V109-Q118 HydrophobicContact CG1-CG 3.64Å; T110-Q118 CarbonylContact O-C 3.44Å; T110-Q118 WeakPolarHBondContact O-CA 3.5Å; V111-Q118 HydrophobicContact CG2-CB 4.3Å; V111-Q118 HydrophobicContact CG2-CG 3.95Å |
| 119 | K | 89.1 | Confident | 82.5 | Confident | 47 Ų | 47 | 80 Ų | 80 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 125.7 | -178 | -172.1 | 174.7 | 174.1 | -171 | 0 | 111.5 | T110 L121 Q125 K126 F129 | T110-K119 PolarHBondContact N-O 3.49Å; T110-K119 PolarHBondContact O-N 3.46Å; T110-K119 PolarHBondContact OG1-O 3.14Å; K119-L121 PolarHBondContact O-N 3.08Å; K119-Q125 VanDerWaalsContact CE-NE2 3.34Å; K119-K126 PolarHBondContact NZ-O 3.06Å; K119-F129 HydrophobicContact CB-CE1 3.83Å; K119-F129 HydrophobicContact CB-CZ 3.96Å; K119-F129 HydrophobicContact CD-CE1 4.21Å |
| 120 | V | 89.6 | Confident | 82.1 | Confident | 69 Ų | 69 | 81.9 Ų | 81.9 | 42% | 0.418 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.4 | 164.3 | 178.4 | 0 | 0 | 0 | 0 | 108 | Q107 V109 G122 Q125 | Q107-V120 HydrophobicContact CG-CG1 3.64Å; Q107-V120 VanDerWaalsContact NE2-CG1 3.29Å; V109-V120 HydrophobicContact CG2-CG2 3.99Å; V120-G122 PolarHBondContact O-N 3.07Å; V120-Q125 PolarHBondContact O-OE1 3.44Å; V120-Q125 VanDerWaalsContact O-OE1 3.04Å |
| 121 | L | 85.8 | Confident | 81.9 | Confident | 19 Ų | 19 | 82.2 Ų | 82.2 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | trans | -80.5 | 111.6 | -179.8 | -78.1 | 178.3 | 0 | 0 | 0 | 111.6 | I108 T110 K119 L127 V183 A187 | I108-L121 HydrophobicContact CG2-CD1 4.21Å; I108-L121 PolarHBondContact O-N 3.21Å; T110-L121 HydrophobicContact CG2-CD1 3.48Å; T110-L121 VanDerWaalsContact CG2-CD1 3.48Å; T110-L121 HydrophobicContact CG2-CG 3.94Å; K119-L121 PolarHBondContact O-N 3.08Å; L121-L127 HydrophobicContact CD2-CD1 4.22Å; L121-V183 HydrophobicContact CD1-CG1 3.16Å; L121-A187 HydrophobicContact CB-CB 4.05Å; L121-A187 HydrophobicContact CD1-CB 4.33Å | ||
| 122 | G | 77.6 | Confident | 81.8 | Confident | 22 Ų | 22 | 82.4 Ų | 82.4 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | trans | -85.2 | 167.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V120 N124 Q125 | V120-G122 PolarHBondContact O-N 3.07Å; G122-N124 PolarHBondContact O-N 2.94Å; G122-Q125 VanDerWaalsContact N-OE1 3.09Å; G122-Q125 PolarHBondContact O-N 3.44Å | ||
| 123 | P | 65.6 | Low | 81.9 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 34% | 0.344 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.6 | -168 | 26.5 | -37 | 0 | 0 | 0 | 116.2 | H191 | P123-H191 HydrophobicContact CB-CB 3.64Å; P123-H191 WeakPolarHBondContact CB-CD2 3.39Å; P123-H191 WeakPolarHBondContact CB-ND1 3.15Å |
| 124 | N | 65.7 | Low | 82.2 | Confident | 150 Ų | 150 | 78 Ų | 78 | 80% | 0.802 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 18.1 | -178.9 | -64.2 | -40.4 | 0 | 0 | 0 | 111.7 | G122 K126 | G122-N124 PolarHBondContact O-N 2.94Å; N124-K126 PolarHBondContact O-N 2.95Å |
| 125 | Q | 70.5 | Confident | 82.7 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 116.2 | 178.7 | -86.2 | -178.8 | -18.7 | 0 | 0 | 110.1 | K119 V120 G122 L127 | K119-Q125 VanDerWaalsContact CE-NE2 3.34Å; V120-Q125 PolarHBondContact O-OE1 3.44Å; V120-Q125 VanDerWaalsContact O-OE1 3.04Å; G122-Q125 VanDerWaalsContact N-OE1 3.09Å; G122-Q125 PolarHBondContact O-N 3.44Å; Q125-L127 PolarHBondContact O-N 3.14Å |
| 126 | K | 70.4 | Confident | 83.3 | Confident | 176 Ų | 176 | 66.9 Ų | 66.9 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 128.9 | 160 | -63 | -171.3 | 178.2 | -170.6 | 0 | 108.4 | K119 N124 | K119-K126 PolarHBondContact NZ-O 3.06Å; N124-K126 PolarHBondContact O-N 2.95Å |
| 127 | L | 79 | Confident | 83.7 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 124.3 | 170 | -172.7 | 52.1 | 0 | 0 | 0 | 106.6 | T110 L121 Q125 F129 P131 M180 V183 V184 | T110-L127 HydrophobicContact CG2-CD2 4.15Å; L121-L127 HydrophobicContact CD2-CD1 4.22Å; Q125-L127 PolarHBondContact O-N 3.14Å; L127-F129 HydrophobicContact CD1-CD1 4.04Å; L127-F129 HydrophobicContact CD1-CD2 4.32Å; L127-F129 HydrophobicContact CD1-CE1 3.83Å; L127-F129 HydrophobicContact CD1-CE2 4.13Å; L127-F129 HydrophobicContact CD1-CG 4.29Å; L127-F129 HydrophobicContact CD1-CZ 3.89Å; L127-F129 WeakPolarHBondContact CG-O 3.44Å; L127-P131 HydrophobicContact CD2-CB 4.44Å; L127-P131 HydrophobicContact CD2-CG 3.87Å; L127-M180 HydrophobicContact CB-CG 4.21Å; L127-M180 HydrophobicContact CB-SD 4.31Å; L127-M180 HydrophobicContact CD2-CG 4.14Å; L127-M180 HydrophobicContact CG-CG 4.45Å; L127-V183 HydrophobicContact CD2-CG1 4.1Å; L127-V184 HydrophobicContact CB-CG2 4.27Å |
| 128 | K | 76.6 | Confident | 84 | Confident | 188 Ų | 188 | 54 Ų | 54 | 82% | 0.817 | 27% | 0.268 | S | S | * | . | trans | -106.1 | 5.5 | -173.6 | -62.4 | -171.6 | 177.5 | -175.3 | 0 | 112.3 | ||||
| 129 | F | 84.7 | Confident | 84.1 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -148.9 | 143.7 | -178.1 | 67.1 | -99.7 | 0 | 0 | 0 | 108.5 | N112 K115 K117 K119 L127 | N112-F129 HydrophobicContact CB-CD2 3.38Å; N112-F129 HydrophobicContact CB-CE2 3.62Å; N112-F129 HydrophobicContact CB-CG 4.36Å; K115-F129 HydrophobicContact CD-CB 4.42Å; K117-F129 HydrophobicContact CB-CD1 4.34Å; K117-F129 HydrophobicContact CB-CE1 4.23Å; K117-F129 HydrophobicContact CB-CZ 4.41Å; K117-F129 HydrophobicContact CD-CD1 4.35Å; K119-F129 HydrophobicContact CB-CE1 3.83Å; K119-F129 HydrophobicContact CB-CZ 3.96Å; K119-F129 HydrophobicContact CD-CE1 4.21Å; L127-F129 HydrophobicContact CD1-CD1 4.04Å; L127-F129 HydrophobicContact CD1-CD2 4.32Å; L127-F129 HydrophobicContact CD1-CE1 3.83Å; L127-F129 HydrophobicContact CD1-CE2 4.13Å; L127-F129 HydrophobicContact CD1-CG 4.29Å; L127-F129 HydrophobicContact CD1-CZ 3.89Å; L127-F129 WeakPolarHBondContact CG-O 3.44Å |
| 130 | N | 83.1 | Confident | 84.1 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | trans | -71.2 | 121.2 | 177.8 | -53.6 | -15.9 | 0 | 0 | 0 | 108.3 | N112 E176 M180 | N112-N130 WeakPolarHBondContact CB-O 3.04Å; N112-N130 PolarHBondContact ND2-O 3.22Å; N130-E176 PolarHBondContact ND2-OE1 3.22Å; N130-E176 PolarHBondContact ND2-OE2 2.85Å; N130-M180 WeakPolarHBondContact OD1-CE 3.39Å | ||
| 131 | P | 88.2 | Confident | 84 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | trans | -74.1 | 132.5 | -179 | 30.8 | -31.7 | 0 | 0 | 0 | 109.8 | T110 V111 L127 F148 V179 V183 | T110-P131 HydrophobicContact CG2-CB 3.99Å; T110-P131 HydrophobicContact CG2-CG 4.45Å; V111-P131 CarbonylContact O-C 3.54Å; V111-P131 WeakPolarHBondContact O-CA 3.25Å; L127-P131 HydrophobicContact CD2-CB 4.44Å; L127-P131 HydrophobicContact CD2-CG 3.87Å; P131-F148 HydrophobicContact CG-CE2 4.34Å; P131-F148 WeakPolarHBondContact O-CD2 3.29Å; P131-V179 HydrophobicContact CG-CG1 3.83Å; P131-V183 HydrophobicContact CG-CG2 4.35Å | ||
| 132 | T | 89.9 | Confident | 84.1 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -84.9 | -23 | 167.3 | 58 | 0 | 0 | 0 | 0 | 111.2 | V111 N112 D113 H114 R147 F148 | V111-T132 PolarHBondContact O-N 3.22Å; V111-T132 PolarHBondContact O-OG1 3.44Å; N112-T132 WeakPolarHBondContact CA-OG1 3.06Å; D113-T132 PolarHBondContact N-OG1 3.1Å; D113-T132 VanDerWaalsContact N-OG1 3.07Å; H114-T132 WeakPolarHBondContact CD2-CG2 3.48Å; T132-R147 WeakPolarHBondContact O-CA 3.38Å; T132-F148 PolarHBondContact O-N 3.14Å |
| 133 | E | 91.3 | Very high | 84.8 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 140.5 | -179.9 | -169.3 | -174.7 | 158.5 | 0 | 0 | 111.7 | T110 V111 I135 R145 F146 R147 | T110-E133 WeakPolarHBondContact CA-O 3.42Å; V111-E133 HydrophobicContact CB-CB 4.16Å; V111-E133 PolarHBondContact N-O 3.4Å; V111-E133 PolarHBondContact O-N 2.75Å; E133-I135 HydrophobicContact CG-CG1 4.18Å; E133-I135 WeakPolarHBondContact OE1-CG1 3.42Å; E133-R145 VanDerWaalsContact CD-NH2 3.3Å; E133-R145 IonicContact OE1-CZ 2.72Å; E133-R145 IonicContact OE1-NE 3.01Å; E133-R145 PolarHBondContact OE1-NE 2.8Å; E133-R145 IonicContact OE1-NH2 2.81Å; E133-R145 PolarHBondContact OE1-NH2 2.8Å; E133-R145 IonicContact OE2-NH2 3.14Å; E133-R145 PolarHBondContact OE2-NH2 2.89Å; E133-F146 CarbonylContact C-O 3.47Å; E133-F146 VanDerWaalsContact CA-O 3.29Å; E133-F146 WeakPolarHBondContact CA-O 3.47Å; E133-F146 VanDerWaalsContact CG-O 3.24Å; E133-F146 WeakPolarHBondContact CG-O 3.35Å; E133-R147 HydrophobicContact CB-CG 4.25Å; E133-R147 HydrophobicContact CG-CG 3.9Å |
| 134 | L | 92.5 | Very high | 86.1 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.4 | 171.2 | -179.2 | 68.4 | 0 | 0 | 0 | 109.6 | L68 I108 T110 I136 R145 F146 F148 V183 | L68-L134 HydrophobicContact CD2-CD2 4.26Å; I108-L134 HydrophobicContact CG2-CD1 3.38Å; T110-L134 HydrophobicContact CG2-CD1 4.23Å; L134-I136 HydrophobicContact CD2-CD1 4.31Å; L134-I136 HydrophobicContact CD2-CG1 4.41Å; L134-I136 HydrophobicContact CG-CG1 4.25Å; L134-R145 WeakPolarHBondContact O-CA 3.35Å; L134-F146 HydrophobicContact CB-CB 4.35Å; L134-F146 HydrophobicContact CD2-CD2 4.31Å; L134-F146 PolarHBondContact N-O 2.75Å; L134-F146 PolarHBondContact O-N 3.49Å; L134-F148 HydrophobicContact CB-CE2 3.69Å; L134-F148 HydrophobicContact CB-CZ 3.77Å; L134-F148 HydrophobicContact CD2-CZ 4.34Å; L134-V183 HydrophobicContact CD1-CG1 4.18Å; L134-V183 HydrophobicContact CD1-CG2 4Å; L134-V183 HydrophobicContact CD2-CG2 4.19Å |
| 135 | I | 93.5 | Very high | 87.3 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.8 | 177.3 | -52.5 | 175.2 | 0 | 0 | 0 | 108.6 | V109 V111 E133 Y137 I143 R145 | V109-I135 HydrophobicContact CB-CB 4.21Å; V109-I135 PolarHBondContact N-O 3.32Å; V109-I135 PolarHBondContact O-N 3.3Å; V111-I135 HydrophobicContact CG2-CD1 3.87Å; E133-I135 HydrophobicContact CG-CG1 4.18Å; E133-I135 WeakPolarHBondContact OE1-CG1 3.42Å; I135-Y137 HydrophobicContact CB-CE2 4.4Å; I135-Y137 HydrophobicContact CG2-CD2 4.21Å; I135-Y137 HydrophobicContact CG2-CE2 3.6Å; I135-I143 HydrophobicContact CG2-CG2 3.82Å; I135-R145 HydrophobicContact CG1-CG 4.27Å; I135-R145 HydrophobicContact CG2-CG 4.23Å |
| 136 | I | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.9 | 179.9 | -53.6 | -176.8 | 0 | 0 | 0 | 108.7 | I75 V100 I105 L134 V144 F146 | I75-I136 HydrophobicContact CD1-CD1 3.63Å; I75-I136 HydrophobicContact CG2-CD1 4.49Å; V100-I136 HydrophobicContact CG1-CG2 4.45Å; I105-I136 HydrophobicContact CB-CG2 4.35Å; I105-I136 HydrophobicContact CD1-CG2 4.05Å; I105-I136 HydrophobicContact CG1-CG2 3.81Å; I105-I136 HydrophobicContact CG2-CG2 3.79Å; L134-I136 HydrophobicContact CD2-CD1 4.31Å; L134-I136 HydrophobicContact CD2-CG1 4.41Å; L134-I136 HydrophobicContact CG-CG1 4.25Å; I136-V144 HydrophobicContact CB-CB 4.37Å; I136-V144 PolarHBondContact N-O 2.88Å; I136-V144 PolarHBondContact O-N 3.27Å; I136-F146 HydrophobicContact CD1-CD2 4.33Å; I136-F146 HydrophobicContact CD1-CE2 3.89Å |
| 137 | Y | 94.1 | Very high | 89.4 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.4 | 171 | -64.8 | -88.5 | 0 | 0 | 0 | 109.2 | E106 Q107 V109 I135 I143 | E106-Y137 WeakPolarHBondContact CB-O 3.46Å; E106-Y137 PolarHBondContact N-O 3.03Å; Q107-Y137 HydrophobicContact CB-CD2 4.32Å; Q107-Y137 PolarHBondContact N-O 3.18Å; Q107-Y137 PolarHBondContact O-N 3.04Å; V109-Y137 HydrophobicContact CB-CE2 4.22Å; V109-Y137 HydrophobicContact CG2-CD2 4Å; V109-Y137 HydrophobicContact CG2-CE2 3.63Å; I135-Y137 HydrophobicContact CB-CE2 4.4Å; I135-Y137 HydrophobicContact CG2-CD2 4.21Å; I135-Y137 HydrophobicContact CG2-CE2 3.6Å; Y137-I143 HydrophobicContact CD1-CD1 4.3Å; Y137-I143 HydrophobicContact CD1-CG1 3.99Å; Y137-I143 HydrophobicContact CE1-CD1 3.92Å; Y137-I143 HydrophobicContact CE1-CG1 4.05Å; Y137-I143 HydrophobicContact CE1-CG2 4.33Å |
| 138 | C | 92.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 149.9 | -180 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | C104 D140 F141 R142 | C104-C138 CarbonylContact O-C 3.58Å; C104-C138 WeakPolarHBondContact O-CA 3.36Å; C138-D140 WeakPolarHBondContact CB-OD1 2.99Å; C138-D140 PolarHBondContact O-N 2.58Å; C138-F141 PolarHBondContact O-N 3.16Å; C138-R142 HydrophobicContact CB-CB 4.03Å; C138-R142 WeakPolarHBondContact CB-O 3.35Å; C138-R142 PolarHBondContact N-O 2.76Å |
| 139 | K | 91.4 | Very high | 89.7 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.6 | 177.1 | -67.6 | 171.3 | -172.6 | 165.6 | 0 | 113.4 | T103 C104 E106 F141 | T103-K139 PolarHBondContact O-NZ 3.09Å; C104-K139 WeakPolarHBondContact O-CG 3.37Å; C104-K139 PolarHBondContact O-N 3.46Å; E106-K139 HydrophobicContact CB-CG 4Å; K139-F141 PolarHBondContact O-N 2.76Å |
| 140 | D | 88.6 | Confident | 88.5 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 20.7 | 174.1 | 60.7 | 11.3 | 0 | 0 | 0 | 112.5 | C104 C138 R142 | C104-D140 PolarHBondContact SG-OD2 2.89Å; C104-D140 VanDerWaalsContact SG-OD2 3.37Å; C138-D140 WeakPolarHBondContact CB-OD1 2.99Å; C138-D140 PolarHBondContact O-N 2.58Å; D140-R142 VanDerWaalsContact CG-NE 3.26Å; D140-R142 PolarHBondContact O-N 2.82Å; D140-R142 VanDerWaalsContact O-N 3.16Å; D140-R142 WeakPolarHBondContact OD1-CB 3.28Å; D140-R142 WeakPolarHBondContact OD1-CG 3.3Å; D140-R142 PolarHBondContact OD1-N 2.81Å; D140-R142 IonicContact OD1-NE 2.98Å; D140-R142 PolarHBondContact OD1-NE 2.82Å; D140-R142 VanDerWaalsContact OD1-NE 3.14Å; D140-R142 IonicContact OD2-CZ 2.86Å; D140-R142 IonicContact OD2-NE 2.78Å; D140-R142 PolarHBondContact OD2-NE 2.8Å; D140-R142 IonicContact OD2-NH2 2.81Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å |
| 141 | F | 88 | Confident | 87.1 | Confident | 197 Ų | 197 | 53.7 Ų | 53.7 | 86% | 0.864 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 65.1 | 7.6 | 179.9 | -50.2 | -76.6 | 0 | 0 | 0 | 115.2 | C138 K139 | C138-F141 PolarHBondContact O-N 3.16Å; K139-F141 PolarHBondContact O-N 2.76Å |
| 142 | R | 89.4 | Confident | 85.4 | Confident | 102 Ų | 102 | 54 Ų | 54 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | trans | -73.2 | 136.9 | 171.5 | -65 | -174.3 | -69.3 | 165.5 | -5.3 | 110.6 | C138 D140 | C138-R142 HydrophobicContact CB-CB 4.03Å; C138-R142 WeakPolarHBondContact CB-O 3.35Å; C138-R142 PolarHBondContact N-O 2.76Å; D140-R142 VanDerWaalsContact CG-NE 3.26Å; D140-R142 PolarHBondContact O-N 2.82Å; D140-R142 VanDerWaalsContact O-N 3.16Å; D140-R142 WeakPolarHBondContact OD1-CB 3.28Å; D140-R142 WeakPolarHBondContact OD1-CG 3.3Å; D140-R142 PolarHBondContact OD1-N 2.81Å; D140-R142 IonicContact OD1-NE 2.98Å; D140-R142 PolarHBondContact OD1-NE 2.82Å; D140-R142 VanDerWaalsContact OD1-NE 3.14Å; D140-R142 IonicContact OD2-CZ 2.86Å; D140-R142 IonicContact OD2-NE 2.78Å; D140-R142 PolarHBondContact OD2-NE 2.8Å; D140-R142 IonicContact OD2-NH2 2.81Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å | ||
| 143 | I | 91.4 | Very high | 83.6 | Confident | 103 Ų | 103 | 56 Ų | 56 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.5 | 168 | -56.3 | 176.3 | 0 | 0 | 0 | 106.6 | I135 Y137 R145 | I135-I143 HydrophobicContact CG2-CG2 3.82Å; Y137-I143 HydrophobicContact CD1-CD1 4.3Å; Y137-I143 HydrophobicContact CD1-CG1 3.99Å; Y137-I143 HydrophobicContact CE1-CD1 3.92Å; Y137-I143 HydrophobicContact CE1-CG1 4.05Å; Y137-I143 HydrophobicContact CE1-CG2 4.33Å; I143-R145 HydrophobicContact CG2-CG 4.11Å |
| 144 | V | 91.9 | Very high | 81.5 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.1 | 178.9 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | V100 I136 F146 | V100-V144 HydrophobicContact CG2-CG2 3.97Å; I136-V144 HydrophobicContact CB-CB 4.37Å; I136-V144 PolarHBondContact N-O 2.88Å; I136-V144 PolarHBondContact O-N 3.27Å; V144-F146 HydrophobicContact CB-CE2 4.4Å; V144-F146 HydrophobicContact CG1-CD2 4.31Å; V144-F146 HydrophobicContact CG1-CE1 4.27Å; V144-F146 HydrophobicContact CG1-CE2 3.49Å; V144-F146 VanDerWaalsContact CG1-CE2 3.49Å; V144-F146 HydrophobicContact CG1-CZ 3.47Å; V144-F146 VanDerWaalsContact CG1-CZ 3.47Å |
| 145 | R | 92.4 | Very high | 79.2 | Confident | 64 Ų | 64 | 63 Ų | 63 | 24% | 0.242 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.5 | -174.6 | -61.6 | 176.3 | 67.1 | -176.4 | -0.1 | 109.8 | C54 E133 L134 I135 I143 | C54-R145 HydrophobicContact CB-CB 4.05Å; C54-R145 PolarHBondContact N-O 2.71Å; E133-R145 VanDerWaalsContact CD-NH2 3.3Å; E133-R145 IonicContact OE1-CZ 2.72Å; E133-R145 IonicContact OE1-NE 3.01Å; E133-R145 PolarHBondContact OE1-NE 2.8Å; E133-R145 IonicContact OE1-NH2 2.81Å; E133-R145 PolarHBondContact OE1-NH2 2.8Å; E133-R145 IonicContact OE2-NH2 3.14Å; E133-R145 PolarHBondContact OE2-NH2 2.89Å; L134-R145 WeakPolarHBondContact O-CA 3.35Å; I135-R145 HydrophobicContact CG1-CG 4.27Å; I135-R145 HydrophobicContact CG2-CG 4.23Å; I143-R145 HydrophobicContact CG2-CG 4.11Å |
| 146 | F | 92.9 | Very high | 76.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.5 | 175.9 | -59.5 | -76.5 | 0 | 0 | 0 | 108.9 | V51 R52 K53 L68 F77 E133 L134 I136 V144 | V51-F146 HydrophobicContact CG1-CB 3.78Å; V51-F146 HydrophobicContact CG1-CD1 3.99Å; V51-F146 HydrophobicContact CG1-CG 4.25Å; R52-F146 CarbonylContact O-C 3.51Å; R52-F146 VanDerWaalsContact O-CA 3.3Å; R52-F146 WeakPolarHBondContact O-CA 3.36Å; K53-F146 HydrophobicContact CB-CD1 3.84Å; K53-F146 HydrophobicContact CB-CE1 3.84Å; K53-F146 HydrophobicContact CD-CE1 3.98Å; K53-F146 HydrophobicContact CG-CD1 4.06Å; K53-F146 HydrophobicContact CG-CE1 3.74Å; L68-F146 HydrophobicContact CD1-CD1 4.12Å; L68-F146 HydrophobicContact CD1-CD2 4.3Å; L68-F146 HydrophobicContact CD1-CE1 3.74Å; L68-F146 HydrophobicContact CD1-CE2 3.92Å; L68-F146 HydrophobicContact CD1-CG 4.38Å; L68-F146 HydrophobicContact CD1-CZ 3.62Å; L68-F146 HydrophobicContact CD2-CD2 4.24Å; L68-F146 HydrophobicContact CD2-CG 4.21Å; F77-F146 HydrophobicContact CB-CE1 3.81Å; F77-F146 HydrophobicContact CB-CZ 4.13Å; F77-F146 HydrophobicContact CD2-CD1 4.08Å; F77-F146 AromaticContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CE2-CD1 4.45Å; F77-F146 HydrophobicContact CE2-CE1 4.35Å; F77-F146 AromaticContact CG-CE1 3.73Å; F77-F146 HydrophobicContact CG-CE1 3.73Å; E133-F146 CarbonylContact C-O 3.47Å; E133-F146 VanDerWaalsContact CA-O 3.29Å; E133-F146 WeakPolarHBondContact CA-O 3.47Å; E133-F146 VanDerWaalsContact CG-O 3.24Å; E133-F146 WeakPolarHBondContact CG-O 3.35Å; L134-F146 HydrophobicContact CB-CB 4.35Å; L134-F146 HydrophobicContact CD2-CD2 4.31Å; L134-F146 PolarHBondContact N-O 2.75Å; L134-F146 PolarHBondContact O-N 3.49Å; I136-F146 HydrophobicContact CD1-CD2 4.33Å; I136-F146 HydrophobicContact CD1-CE2 3.89Å; V144-F146 HydrophobicContact CB-CE2 4.4Å; V144-F146 HydrophobicContact CG1-CD2 4.31Å; V144-F146 HydrophobicContact CG1-CE1 4.27Å; V144-F146 HydrophobicContact CG1-CE2 3.49Å; V144-F146 VanDerWaalsContact CG1-CE2 3.49Å; V144-F146 HydrophobicContact CG1-CZ 3.47Å; V144-F146 VanDerWaalsContact CG1-CZ 3.47Å |
| 147 | R | 90.8 | Very high | 74.3 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 25% | 0.249 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143 | 170.7 | -68.5 | -174.8 | -165.2 | 144.2 | 10.3 | 110.4 | R52 D63 T132 E133 | R52-R147 HydrophobicContact CB-CB 4.37Å; R52-R147 PolarHBondContact N-O 2.92Å; R52-R147 PolarHBondContact O-N 3.32Å; D63-R147 IonicContact OD2-NH1 3.95Å; T132-R147 WeakPolarHBondContact O-CA 3.38Å; E133-R147 HydrophobicContact CB-CG 4.25Å; E133-R147 HydrophobicContact CG-CG 3.9Å |
| 148 | F | 88.4 | Confident | 71.9 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | trans | -107 | 89 | 171.7 | -46.7 | -73.2 | 0 | 0 | 0 | 105.3 | V51 L68 P131 T132 L134 V179 V183 | V51-F148 HydrophobicContact CG1-CD1 4.21Å; V51-F148 HydrophobicContact CG1-CE1 4.03Å; V51-F148 HydrophobicContact CG2-CD1 4.06Å; V51-F148 HydrophobicContact CG2-CE1 4.06Å; L68-F148 HydrophobicContact CD2-CE1 4.39Å; P131-F148 HydrophobicContact CG-CE2 4.34Å; P131-F148 WeakPolarHBondContact O-CD2 3.29Å; T132-F148 PolarHBondContact O-N 3.14Å; L134-F148 HydrophobicContact CB-CE2 3.69Å; L134-F148 HydrophobicContact CB-CZ 3.77Å; L134-F148 HydrophobicContact CD2-CZ 4.34Å; F148-V179 HydrophobicContact CB-CG1 4.42Å; F148-V179 HydrophobicContact CB-CG2 4.37Å; F148-V179 HydrophobicContact CD1-CB 4.49Å; F148-V179 HydrophobicContact CD1-CG1 3.81Å; F148-V179 HydrophobicContact CD1-CG2 3.8Å; F148-V179 HydrophobicContact CD2-CG1 3.63Å; F148-V179 HydrophobicContact CE1-CG1 3.87Å; F148-V179 HydrophobicContact CE1-CG2 4.3Å; F148-V179 HydrophobicContact CE2-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG2 4.1Å; F148-V179 HydrophobicContact CZ-CG1 3.81Å; F148-V183 HydrophobicContact CE2-CG2 4.41Å; F148-V183 HydrophobicContact CZ-CG2 4.2Å | ||
| 149 | D | 73.6 | Confident | 69.5 | Low | 46 Ų | 46 | 85.1 Ų | 85.1 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | trans | -85.3 | 132 | 179.2 | -64.9 | -32.4 | 0 | 0 | 0 | 108.9 | R52 W65 S151 | R52-D149 IonicContact CZ-OD2 2.75Å; R52-D149 IonicContact NE-OD2 3.16Å; R52-D149 PolarHBondContact NE-OD2 3.09Å; R52-D149 IonicContact NH2-OD2 2.65Å; R52-D149 PolarHBondContact NH2-OD2 2.8Å; W65-D149 HydrophobicContact CH2-CB 3.97Å; D149-S151 PolarHBondContact O-N 3.33Å; D149-S151 VanDerWaalsContact O-N 3.13Å | ||
| 150 | E | 59.2 | Low | 67 | Low | 153 Ų | 153 | 87.3 Ų | 87.3 | 72% | 0.715 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -62.3 | -17.8 | 174 | -64.7 | 172 | 169.6 | 0 | 0 | 112.6 | ||
| 151 | S | 53.4 | Low | 64.6 | Low | 70 Ų | 70 | 91.8 Ų | 91.8 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -108.5 | 76.1 | 175.2 | 53.1 | 0 | 0 | 0 | 0 | 110 | W65 D149 | W65-S151 WeakPolarHBondContact CH2-O 3.2Å; D149-S151 PolarHBondContact O-N 3.33Å; D149-S151 VanDerWaalsContact O-N 3.13Å |
| 152 | G | 53.6 | Low | 62.2 | Low | 13 Ų | 13 | 87.4 Ų | 87.4 | 13% | 0.134 | 45% | 0.45 | C | S | . | . | trans | -51.5 | 165 | 165 | 0 | 0 | 0 | 0 | 0 | 111.5 | E154 S155 | G152-E154 PolarHBondContact O-N 2.83Å; G152-S155 PolarHBondContact O-N 2.89Å | ||
| 153 | P | 51.2 | Low | 60.2 | Low | 60 Ų | 60 | 92.2 Ų | 92.2 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -8.4 | 177.6 | 24.2 | -33.8 | 0 | 0 | 0 | 113.9 | F50 W65 | F50-P153 HydrophobicContact CD1-CG 4.23Å; W65-P153 HydrophobicContact CD2-CG 4.28Å; W65-P153 HydrophobicContact CE3-CG 4.49Å; W65-P153 HydrophobicContact CG-CG 4.42Å |
| 154 | E | 47.9 | Very low | 58.3 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -32.3 | 171.3 | -134.3 | -155.6 | -158.4 | 0 | 0 | 113.5 | G152 A156 K157 K158 | G152-E154 PolarHBondContact O-N 2.83Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.83Å; E154-K157 PolarHBondContact O-N 3.22Å; E154-K158 VanDerWaalsContact OE2-CE 3.28Å; E154-K158 WeakPolarHBondContact OE2-CE 3.24Å; E154-K158 IonicContact OE2-NZ 2.7Å; E154-K158 PolarHBondContact OE2-NZ 2.91Å |
| 155 | S | 44.2 | Very low | 55.8 | Low | 46 Ų | 46 | 102.2 Ų | 102.2 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.1 | -27.7 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | G152 K157 K158 | G152-S155 PolarHBondContact O-N 2.89Å; S155-K157 PolarHBondContact O-N 3.01Å; S155-K158 PolarHBondContact O-N 3.46Å; S155-K158 VanDerWaalsContact O-N 3.1Å |
| 156 | A | 43 | Very low | 54 | Low | 79 Ų | 79 | 108.1 Ų | 108.1 | 65% | 0.653 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.1 | -19.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | E154 | E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.83Å |
| 157 | K | 42.8 | Very low | 51.8 | Low | 175 Ų | 175 | 117 Ų | 117 | 76% | 0.761 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -90.9 | -16 | 174 | -66.5 | 179.1 | -177 | 170.8 | 0 | 113.1 | E154 S155 | E154-K157 PolarHBondContact O-N 3.22Å; S155-K157 PolarHBondContact O-N 3.01Å |
| 158 | K | 43.7 | Very low | 49.9 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -83.9 | -13.4 | -176.9 | -71.4 | 177.9 | -175.6 | 166.5 | 0 | 113.6 | E154 S155 T160 Q161 | E154-K158 VanDerWaalsContact OE2-CE 3.28Å; E154-K158 WeakPolarHBondContact OE2-CE 3.24Å; E154-K158 IonicContact OE2-NZ 2.7Å; E154-K158 PolarHBondContact OE2-NZ 2.91Å; S155-K158 PolarHBondContact O-N 3.46Å; S155-K158 VanDerWaalsContact O-N 3.1Å; K158-T160 PolarHBondContact O-N 2.85Å; K158-T160 VanDerWaalsContact O-N 3.09Å; K158-Q161 PolarHBondContact O-N 2.69Å |
| 159 | E | 41.4 | Very low | 48.3 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 83% | 0.832 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -10.4 | 178.7 | -68.3 | -169.5 | 176.3 | 0 | 0 | 114.6 | ||
| 160 | T | 40 | Very low | 47.4 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -1.5 | 179.4 | -31.1 | 0 | 0 | 0 | 0 | 114.6 | K158 | K158-T160 PolarHBondContact O-N 2.85Å; K158-T160 VanDerWaalsContact O-N 3.09Å |
| 161 | Q | 37.7 | Very low | 47 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -134.3 | 91.8 | 179.8 | -152.4 | 161.5 | 5.2 | 0 | 0 | 113.3 | K158 | K158-Q161 PolarHBondContact O-N 2.69Š|
| 162 | T | 37.7 | Very low | 47.4 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 64% | 0.638 | 65% | 0.647 | S | S | * | * | trans | 70 | 100.3 | 135.6 | -29.9 | 0 | 0 | 0 | 0 | 116.7 | L164 | T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.36Å | ||
| 163 | K | 48 | Very low | 47.9 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -29.6 | 94 | 134.6 | -172.8 | 173.6 | -167.1 | 168.3 | 0 | 111.4 | ||
| 164 | L | 49.7 | Very low | 48.7 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | 172 | 133.8 | 149.8 | -92.6 | 162.6 | 0 | 0 | 0 | 108.7 | T162 | T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.36Å | ||
| 165 | M | 40.1 | Very low | 49.9 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | 91.5 | 100.6 | 177.8 | -55.1 | -177.9 | 179.3 | 0 | 0 | 114.8 | F167 | M165-F167 PolarHBondContact O-N 3.19Š| ||
| 166 | E | 55.8 | Low | 51.5 | Low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 68% | 0.678 | S | S | * | * | trans | -53.1 | 112.5 | 156.6 | -71.9 | 166 | 144.5 | 0 | 0 | 108.9 | ||||
| 167 | F | 45.2 | Very low | 53.3 | Low | 189 Ų | 189 | 140.9 Ų | 140.9 | 83% | 0.829 | 68% | 0.676 | S | S | * | * | trans | -171.7 | 146.7 | 154.5 | -92.8 | -70.5 | 0 | 0 | 0 | 108.6 | M165 | M165-F167 PolarHBondContact O-N 3.19Š| ||
| 168 | P | 52.1 | Low | 55.3 | Low | 46 Ų | 46 | 136.1 Ų | 136.1 | 30% | 0.299 | 66% | 0.657 | S | S | . | * | cis | -135 | 106.3 | 0.3 | 29.2 | -4.7 | 0 | 0 | 0 | 113.4 | E170 M171 | P168-E170 PolarHBondContact O-N 3.12Å; P168-M171 HydrophobicContact CB-CB 3.98Å; P168-M171 HydrophobicContact CG-CB 3.77Å; P168-M171 HydrophobicContact CG-CE 4.27Å; P168-M171 HydrophobicContact CG-SD 4.11Å; P168-M171 PolarHBondContact O-N 2.85Å | ||
| 169 | Q | 53.5 | Low | 57.2 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60 | -27.2 | 172 | -73.6 | 179.8 | -88.4 | 0 | 0 | 113.2 | E172 E173 | Q169-E172 PolarHBondContact O-N 3.27Å; Q169-E173 PolarHBondContact O-N 2.81Å |
| 170 | E | 55.6 | Low | 59.3 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.4 | -32.6 | 179 | -64.1 | -179.1 | 171.1 | 0 | 0 | 112.9 | P168 E174 | P168-E170 PolarHBondContact O-N 3.12Å; E170-E174 PolarHBondContact O-N 3.14Å |
| 171 | M | 51.3 | Low | 61.5 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 56% | 0.562 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.1 | -32.6 | 178 | -170.5 | 178 | -72.9 | 0 | 0 | 111.3 | P168 E175 | P168-M171 HydrophobicContact CB-CB 3.98Å; P168-M171 HydrophobicContact CG-CB 3.77Å; P168-M171 HydrophobicContact CG-CE 4.27Å; P168-M171 HydrophobicContact CG-SD 4.11Å; P168-M171 PolarHBondContact O-N 2.85Å; M171-E175 PolarHBondContact O-N 3.37Å |
| 172 | E | 61.9 | Low | 63.9 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 58% | 0.584 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.6 | -41.1 | 176.7 | -65.5 | 176.9 | 174.1 | 0 | 0 | 111.5 | Q169 E174 E175 E176 | Q169-E172 PolarHBondContact O-N 3.27Å; E172-E174 VanDerWaalsContact C-N 3.31Å; E172-E174 PolarHBondContact O-N 2.92Å; E172-E175 PolarHBondContact O-N 2.81Å; E172-E176 WeakPolarHBondContact O-CG 3.37Å; E172-E176 PolarHBondContact O-N 2.93Å; E172-E176 VanDerWaalsContact O-N 3.14Å |
| 173 | E | 63.5 | Low | 66.2 | Low | 135 Ų | 135 | 108.9 Ų | 108.9 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 175.6 | -73.9 | -173.3 | 169.7 | 0 | 0 | 112.5 | Q169 E177 | Q169-E173 PolarHBondContact O-N 2.81Å; E173-E177 PolarHBondContact O-N 2.93Å; E173-E177 VanDerWaalsContact O-N 3.1Å |
| 174 | E | 68.4 | Low | 68.1 | Low | 126 Ų | 126 | 100 Ų | 100 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.9 | -44.4 | 177.2 | -166.4 | 172.1 | -166.8 | 0 | 0 | 111.8 | E170 E172 E176 E177 E178 | E170-E174 PolarHBondContact O-N 3.14Å; E172-E174 VanDerWaalsContact C-N 3.31Å; E172-E174 PolarHBondContact O-N 2.92Å; E174-E176 PolarHBondContact O-N 3.45Å; E174-E177 PolarHBondContact O-N 2.72Å; E174-E178 PolarHBondContact O-N 2.8Å |
| 175 | E | 73 | Confident | 69.9 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.3 | -72.8 | -168.3 | 162.2 | 0 | 0 | 112.2 | M171 E172 E177 E178 V179 | M171-E175 PolarHBondContact O-N 3.37Å; E172-E175 PolarHBondContact O-N 2.81Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.14Å; E175-E178 PolarHBondContact O-N 2.96Å; E175-V179 VanDerWaalsContact O-CG2 3.3Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å; E175-V179 PolarHBondContact O-N 3.29Å; E175-V179 VanDerWaalsContact O-N 3.08Å |
| 176 | E | 76.8 | Confident | 72.1 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 174.6 | -73.7 | -163.9 | 127.7 | 0 | 0 | 112.5 | N130 E172 E174 M180 | N130-E176 PolarHBondContact ND2-OE1 3.22Å; N130-E176 PolarHBondContact ND2-OE2 2.85Å; E172-E176 WeakPolarHBondContact O-CG 3.37Å; E172-E176 PolarHBondContact O-N 2.93Å; E172-E176 VanDerWaalsContact O-N 3.14Å; E174-E176 PolarHBondContact O-N 3.45Å; E176-M180 PolarHBondContact O-N 2.79Å; E176-M180 VanDerWaalsContact O-N 3.08Å |
| 177 | E | 80.9 | Confident | 73.6 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.8 | -42 | 176.4 | -169.6 | 170 | -171.6 | 0 | 0 | 111.3 | E173 E174 E175 V179 M180 E181 | E173-E177 PolarHBondContact O-N 2.93Å; E173-E177 VanDerWaalsContact O-N 3.1Å; E174-E177 PolarHBondContact O-N 2.72Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.14Å; E177-V179 PolarHBondContact O-N 2.92Å; E177-M180 PolarHBondContact O-N 3.22Å; E177-E181 WeakPolarHBondContact O-CB 3.47Å; E177-E181 PolarHBondContact O-N 3.07Å |
| 178 | E | 84.6 | Confident | 75.6 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.9 | -70.7 | -171.3 | 160.4 | 0 | 0 | 112.1 | V48 E174 E175 M180 E181 L182 | V48-E178 HydrophobicContact CG2-CB 4.27Å; E174-E178 PolarHBondContact O-N 2.8Å; E175-E178 PolarHBondContact O-N 2.96Å; E178-M180 VanDerWaalsContact C-N 3.34Å; E178-M180 PolarHBondContact O-N 3.48Å; E178-E181 PolarHBondContact O-N 2.87Å; E178-L182 WeakPolarHBondContact O-CB 3.25Å; E178-L182 PolarHBondContact O-N 2.84Å |
| 179 | V | 83.9 | Confident | 77.2 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V48 P131 F148 E175 E177 E181 L182 V183 | V48-V179 HydrophobicContact CG1-CG2 3.65Å; V48-V179 HydrophobicContact CG2-CG2 4.37Å; P131-V179 HydrophobicContact CG-CG1 3.83Å; F148-V179 HydrophobicContact CB-CG1 4.42Å; F148-V179 HydrophobicContact CB-CG2 4.37Å; F148-V179 HydrophobicContact CD1-CB 4.49Å; F148-V179 HydrophobicContact CD1-CG1 3.81Å; F148-V179 HydrophobicContact CD1-CG2 3.8Å; F148-V179 HydrophobicContact CD2-CG1 3.63Å; F148-V179 HydrophobicContact CE1-CG1 3.87Å; F148-V179 HydrophobicContact CE1-CG2 4.3Å; F148-V179 HydrophobicContact CE2-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG2 4.1Å; F148-V179 HydrophobicContact CZ-CG1 3.81Å; E175-V179 VanDerWaalsContact O-CG2 3.3Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å; E175-V179 PolarHBondContact O-N 3.29Å; E175-V179 VanDerWaalsContact O-N 3.08Å; E177-V179 PolarHBondContact O-N 2.92Å; V179-E181 PolarHBondContact O-N 3.13Å; V179-L182 PolarHBondContact O-N 2.81Å; V179-V183 HydrophobicContact CG1-CG2 4.49Å; V179-V183 WeakPolarHBondContact O-CB 3.41Å; V179-V183 VanDerWaalsContact O-CG2 3.22Å; V179-V183 WeakPolarHBondContact O-CG2 3.34Å; V179-V183 PolarHBondContact O-N 3.27Å |
| 180 | M | 84.8 | Confident | 78.7 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | -179.7 | -169.9 | 172.8 | -51.8 | 0 | 0 | 111.3 | L127 N130 E176 E177 E178 V183 V184 | L127-M180 HydrophobicContact CB-CG 4.21Å; L127-M180 HydrophobicContact CB-SD 4.31Å; L127-M180 HydrophobicContact CD2-CG 4.14Å; L127-M180 HydrophobicContact CG-CG 4.45Å; N130-M180 WeakPolarHBondContact OD1-CE 3.39Å; E176-M180 PolarHBondContact O-N 2.79Å; E176-M180 VanDerWaalsContact O-N 3.08Å; E177-M180 PolarHBondContact O-N 3.22Å; E178-M180 VanDerWaalsContact C-N 3.34Å; E178-M180 PolarHBondContact O-N 3.48Å; M180-V183 PolarHBondContact O-N 2.9Å; M180-V184 HydrophobicContact CG-CG2 4.45Å; M180-V184 WeakPolarHBondContact O-CB 3.49Å; M180-V184 WeakPolarHBondContact O-CG2 3.47Å; M180-V184 PolarHBondContact O-N 3.31Å |
| 181 | E | 87.3 | Confident | 80.1 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.2 | -80.9 | -66.2 | 140.2 | 0 | 0 | 112 | N46 E177 E178 V179 V183 V184 A185 | N46-E181 WeakPolarHBondContact ND2-CB 3.39Å; E177-E181 WeakPolarHBondContact O-CB 3.47Å; E177-E181 PolarHBondContact O-N 3.07Å; E178-E181 PolarHBondContact O-N 2.87Å; V179-E181 PolarHBondContact O-N 3.13Å; E181-V183 VanDerWaalsContact C-N 3.34Å; E181-V183 PolarHBondContact O-N 2.86Å; E181-V184 PolarHBondContact O-N 2.77Å; E181-A185 WeakPolarHBondContact O-CB 3.36Å; E181-A185 PolarHBondContact O-N 2.79Å |
| 182 | L | 87.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 176.8 | -180 | 138.4 | 0 | 0 | 0 | 111.9 | N46 V48 L68 C70 E178 V179 A185 A186 | N46-L182 HydrophobicContact CB-CB 3.9Å; N46-L182 HydrophobicContact CB-CD1 4.25Å; N46-L182 HydrophobicContact CB-CG 4.27Å; V48-L182 HydrophobicContact CB-CD1 4.19Å; V48-L182 HydrophobicContact CG2-CB 3.63Å; V48-L182 HydrophobicContact CG2-CD1 3.68Å; V48-L182 HydrophobicContact CG2-CG 4.13Å; L68-L182 HydrophobicContact CD2-CD2 3.67Å; L68-L182 HydrophobicContact CG-CD1 4.4Å; L68-L182 HydrophobicContact CG-CD2 4.23Å; L68-L182 WeakPolarHBondContact O-CD1 2.85Å; C70-L182 HydrophobicContact CB-CD1 4.13Å; C70-L182 HydrophobicContact CB-CG 3.99Å; E178-L182 WeakPolarHBondContact O-CB 3.25Å; E178-L182 PolarHBondContact O-N 2.84Å; V179-L182 PolarHBondContact O-N 2.81Å; L182-A185 PolarHBondContact O-N 2.86Å; L182-A186 WeakPolarHBondContact O-CB 3.24Å; L182-A186 PolarHBondContact O-N 2.83Å |
| 183 | V | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | -179.9 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | T110 L121 L127 P131 L134 F148 V179 M180 E181 A187 | T110-V183 HydrophobicContact CG2-CG1 3.49Å; T110-V183 VanDerWaalsContact CG2-CG1 3.49Å; L121-V183 HydrophobicContact CD1-CG1 3.16Å; L127-V183 HydrophobicContact CD2-CG1 4.1Å; P131-V183 HydrophobicContact CG-CG2 4.35Å; L134-V183 HydrophobicContact CD1-CG1 4.18Å; L134-V183 HydrophobicContact CD1-CG2 4Å; L134-V183 HydrophobicContact CD2-CG2 4.19Å; F148-V183 HydrophobicContact CE2-CG2 4.41Å; F148-V183 HydrophobicContact CZ-CG2 4.2Å; V179-V183 HydrophobicContact CG1-CG2 4.49Å; V179-V183 WeakPolarHBondContact O-CB 3.41Å; V179-V183 VanDerWaalsContact O-CG2 3.22Å; V179-V183 WeakPolarHBondContact O-CG2 3.34Å; V179-V183 PolarHBondContact O-N 3.27Å; M180-V183 PolarHBondContact O-N 2.9Å; E181-V183 VanDerWaalsContact C-N 3.34Å; E181-V183 PolarHBondContact O-N 2.86Å; V183-A187 PolarHBondContact O-N 3.04Å; V183-A187 VanDerWaalsContact O-N 3.14Å |
| 184 | V | 87.9 | Confident | 83.4 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111 | L127 M180 E181 A187 R188 | L127-V184 HydrophobicContact CB-CG2 4.27Å; M180-V184 HydrophobicContact CG-CG2 4.45Å; M180-V184 WeakPolarHBondContact O-CB 3.49Å; M180-V184 WeakPolarHBondContact O-CG2 3.47Å; M180-V184 PolarHBondContact O-N 3.31Å; E181-V184 PolarHBondContact O-N 2.77Å; V184-A187 PolarHBondContact O-N 3.07Å; V184-R188 HydrophobicContact CG1-CG 4.32Å; V184-R188 VanDerWaalsContact CG1-CZ 3.4Å; V184-R188 WeakPolarHBondContact O-CB 3.35Å; V184-R188 WeakPolarHBondContact O-CG 3.5Å; V184-R188 PolarHBondContact O-N 3.07Å |
| 185 | A | 87.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V45 E181 L182 A187 R188 K189 | V45-A185 HydrophobicContact CG1-CB 3.82Å; E181-A185 WeakPolarHBondContact O-CB 3.36Å; E181-A185 PolarHBondContact O-N 2.79Å; L182-A185 PolarHBondContact O-N 2.86Å; A185-A187 PolarHBondContact O-N 2.81Å; A185-R188 PolarHBondContact O-N 2.78Å; A185-K189 WeakPolarHBondContact O-CB 3.38Å; A185-K189 PolarHBondContact O-N 2.93Å |
| 186 | A | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I75 I108 L182 K189 L190 | I75-A186 HydrophobicContact CD1-CB 4Å; I108-A186 HydrophobicContact CD1-CB 3.89Å; L182-A186 WeakPolarHBondContact O-CB 3.24Å; L182-A186 PolarHBondContact O-N 2.83Å; A186-K189 PolarHBondContact O-N 2.77Å; A186-L190 WeakPolarHBondContact O-CB 3.49Å; A186-L190 PolarHBondContact O-N 2.87Å |
| 187 | A | 87.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L121 V183 V184 A185 K189 L190 H191 | L121-A187 HydrophobicContact CB-CB 4.05Å; L121-A187 HydrophobicContact CD1-CB 4.33Å; V183-A187 PolarHBondContact O-N 3.04Å; V183-A187 VanDerWaalsContact O-N 3.14Å; V184-A187 PolarHBondContact O-N 3.07Å; A185-A187 PolarHBondContact O-N 2.81Å; A187-K189 PolarHBondContact O-N 3.34Å; A187-L190 PolarHBondContact O-N 2.9Å; A187-H191 PolarHBondContact O-N 2.97Å |
| 188 | R | 87.3 | Confident | 81.6 | Confident | 146 Ų | 146 | 54.3 Ų | 54.3 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 176.2 | -75.1 | 177.5 | -176 | 158.3 | 6 | 111.3 | V184 A185 H191 S192 | V184-R188 HydrophobicContact CG1-CG 4.32Å; V184-R188 VanDerWaalsContact CG1-CZ 3.4Å; V184-R188 WeakPolarHBondContact O-CB 3.35Å; V184-R188 WeakPolarHBondContact O-CG 3.5Å; V184-R188 PolarHBondContact O-N 3.07Å; A185-R188 PolarHBondContact O-N 2.78Å; R188-H191 PolarHBondContact O-N 3.04Å; R188-S192 PolarHBondContact O-N 3.26Å |
| 189 | K | 86.4 | Confident | 79.7 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | -178.6 | -166.2 | 66 | -177.7 | -178.4 | 0 | 111.8 | N72 L102 A185 A186 A187 H191 S192 L193 | N72-K189 WeakPolarHBondContact O-CE 3.4Å; L102-K189 HydrophobicContact CD1-CB 3.96Å; L102-K189 HydrophobicContact CD1-CG 3.31Å; A185-K189 WeakPolarHBondContact O-CB 3.38Å; A185-K189 PolarHBondContact O-N 2.93Å; A186-K189 PolarHBondContact O-N 2.77Å; A187-K189 PolarHBondContact O-N 3.34Å; K189-H191 VanDerWaalsContact C-N 3.29Å; K189-H191 PolarHBondContact O-N 2.94Å; K189-S192 PolarHBondContact O-N 3.1Å; K189-L193 WeakPolarHBondContact O-CG 3.48Å; K189-L193 PolarHBondContact O-N 2.98Å |
| 190 | L | 84.9 | Confident | 78 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57 | -43.7 | 172.4 | 177.4 | 59.3 | 0 | 0 | 0 | 111.7 | L102 I105 I108 A186 A187 L193 K194 | L102-L190 WeakPolarHBondContact O-CD1 3.4Å; I105-L190 HydrophobicContact CB-CD1 4.04Å; I105-L190 HydrophobicContact CB-CD2 4.21Å; I105-L190 HydrophobicContact CG2-CD1 4.38Å; I105-L190 HydrophobicContact CG2-CD2 3.62Å; I105-L190 WeakPolarHBondContact O-CD1 3.46Å; I108-L190 HydrophobicContact CD1-CD2 4.22Å; I108-L190 HydrophobicContact CG1-CD2 4.18Å; A186-L190 WeakPolarHBondContact O-CB 3.49Å; A186-L190 PolarHBondContact O-N 2.87Å; A187-L190 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 3.33Å; L190-K194 WeakPolarHBondContact O-CG 3.28Å; L190-K194 PolarHBondContact O-N 2.63Å |
| 191 | H | 84.6 | Confident | 75.9 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 177.7 | 179.8 | -111.8 | 0 | 0 | 0 | 113 | P123 A187 R188 K189 L193 K194 L195 | P123-H191 HydrophobicContact CB-CB 3.64Å; P123-H191 WeakPolarHBondContact CB-CD2 3.39Å; P123-H191 WeakPolarHBondContact CB-ND1 3.15Å; A187-H191 PolarHBondContact O-N 2.97Å; R188-H191 PolarHBondContact O-N 3.04Å; K189-H191 VanDerWaalsContact C-N 3.29Å; K189-H191 PolarHBondContact O-N 2.94Å; H191-L193 PolarHBondContact O-N 3.15Å; H191-K194 PolarHBondContact O-N 2.9Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 PolarHBondContact O-N 2.75Å |
| 192 | S | 84.4 | Confident | 73.7 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.3 | -43.4 | 175.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | R188 K189 L195 T196 | R188-S192 PolarHBondContact O-N 3.26Å; K189-S192 PolarHBondContact O-N 3.1Å; S192-L195 PolarHBondContact O-N 3.36Å; S192-T196 PolarHBondContact O-N 2.95Å; S192-T196 PolarHBondContact O-OG1 3.24Å |
| 193 | L | 81.8 | Confident | 71.8 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.2 | -71 | 167.9 | 0 | 0 | 0 | 113.1 | L102 K189 L190 H191 T196 R197 | L102-L193 HydrophobicContact CB-CD1 3.48Å; L102-L193 VanDerWaalsContact CB-CD1 3.48Å; L102-L193 HydrophobicContact CD1-CD1 4.09Å; L102-L193 HydrophobicContact CG-CD1 4.47Å; K189-L193 WeakPolarHBondContact O-CG 3.48Å; K189-L193 PolarHBondContact O-N 2.98Å; L190-L193 PolarHBondContact O-N 3.33Å; H191-L193 PolarHBondContact O-N 3.15Å; L193-T196 WeakPolarHBondContact CA-OG1 3.48Å; L193-T196 PolarHBondContact O-N 3.16Å; L193-T196 PolarHBondContact O-OG1 2.7Å; L193-R197 PolarHBondContact O-N 3.21Å |
| 194 | K | 79 | Confident | 69.7 | Low | 88 Ų | 88 | 84.9 Ų | 84.9 | 38% | 0.383 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175 | -73.6 | 180 | -179 | -178.1 | 0 | 111.3 | E106 L190 H191 T196 R197 I198 | E106-K194 PolarHBondContact O-NZ 2.97Å; L190-K194 WeakPolarHBondContact O-CG 3.28Å; L190-K194 PolarHBondContact O-N 2.63Å; H191-K194 PolarHBondContact O-N 2.9Å; K194-T196 PolarHBondContact O-N 3.34Å; K194-R197 PolarHBondContact O-N 2.95Å; K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 2.65Å; K194-I198 VanDerWaalsContact O-N 3.09Å |
| 195 | L | 75.3 | Confident | 67.4 | Low | 96 Ų | 96 | 87.4 Ų | 87.4 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.7 | -77.1 | 172.3 | 0 | 0 | 0 | 112.6 | H191 S192 R197 I198 G199 | H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 PolarHBondContact O-N 2.75Å; S192-L195 PolarHBondContact O-N 3.36Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 2.75Å; L195-I198 PolarHBondContact O-N 3.08Å; L195-G199 PolarHBondContact O-N 3.32Å |
| 196 | T | 69.3 | Low | 65.3 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | S192 L193 K194 G199 T200 | S192-T196 PolarHBondContact O-N 2.95Å; S192-T196 PolarHBondContact O-OG1 3.24Å; L193-T196 WeakPolarHBondContact CA-OG1 3.48Å; L193-T196 PolarHBondContact O-N 3.16Å; L193-T196 PolarHBondContact O-OG1 2.7Å; K194-T196 PolarHBondContact O-N 3.34Å; T196-G199 PolarHBondContact O-N 3.22Å; T196-T200 PolarHBondContact O-N 3.09Å; T196-T200 PolarHBondContact O-OG1 3.1Å |
| 197 | R | 58.9 | Low | 63.1 | Low | 128 Ų | 128 | 101.1 Ų | 101.1 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 176 | -74.4 | -176.2 | 178.4 | -166.6 | -1.3 | 112.7 | L193 K194 L195 G199 T200 E201 | L193-R197 PolarHBondContact O-N 3.21Å; K194-R197 PolarHBondContact O-N 2.95Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 2.75Å; R197-G199 PolarHBondContact O-N 3.48Å; R197-T200 WeakPolarHBondContact CA-OG1 3.39Å; R197-T200 PolarHBondContact O-N 2.76Å; R197-T200 VanDerWaalsContact O-N 3.15Å; R197-T200 PolarHBondContact O-OG1 2.78Å; R197-E201 PolarHBondContact O-N 2.98Å |
| 198 | I | 58.4 | Low | 61.3 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -34.4 | 175.6 | -62.2 | 161.8 | 0 | 0 | 0 | 110.2 | K194 L195 T200 E201 | K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 2.65Å; K194-I198 VanDerWaalsContact O-N 3.09Å; L195-I198 PolarHBondContact O-N 3.08Å; I198-T200 VanDerWaalsContact C-N 3.32Å; I198-T200 PolarHBondContact O-N 3.06Å; I198-E201 PolarHBondContact O-N 3.03Å |
| 199 | G | 45.3 | Very low | 59.1 | Low | 56 Ų | 56 | 106.4 Ų | 106.4 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.2 | -28.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | L195 T196 R197 | L195-G199 PolarHBondContact O-N 3.32Å; T196-G199 PolarHBondContact O-N 3.22Å; R197-G199 PolarHBondContact O-N 3.48Å |
| 200 | T | 47.7 | Very low | 57.5 | Low | 116 Ų | 116 | 106.5 Ų | 106.5 | 71% | 0.712 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -81.6 | -15 | 176.6 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | T196 R197 I198 K202 | T196-T200 PolarHBondContact O-N 3.09Å; T196-T200 PolarHBondContact O-OG1 3.1Å; R197-T200 WeakPolarHBondContact CA-OG1 3.39Å; R197-T200 PolarHBondContact O-N 2.76Å; R197-T200 VanDerWaalsContact O-N 3.15Å; R197-T200 PolarHBondContact O-OG1 2.78Å; I198-T200 VanDerWaalsContact C-N 3.32Å; I198-T200 PolarHBondContact O-N 3.06Å; T200-K202 VanDerWaalsContact C-N 3.32Å |
| 201 | E | 41.8 | Very low | 55.7 | Low | 159 Ų | 159 | 109.3 Ų | 109.3 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 3.7 | 176.3 | -80 | -173.2 | 128.8 | 0 | 0 | 114 | R197 I198 S203 | R197-E201 PolarHBondContact O-N 2.98Å; I198-E201 PolarHBondContact O-N 3.03Å; E201-S203 PolarHBondContact O-N 3.18Å |
| 202 | K | 41.3 | Very low | 53.5 | Low | 185 Ų | 185 | 114.9 Ų | 114.9 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -86.1 | 60.5 | 170.8 | -144.4 | 175.2 | -169.3 | 176.4 | 0 | 110.4 | T200 R204 | T200-K202 VanDerWaalsContact C-N 3.32Å; K202-R204 PolarHBondContact O-N 3.32Å | ||
| 203 | S | 46.5 | Very low | 51.3 | Low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | -58.5 | 105.8 | 159.3 | 52.2 | 0 | 0 | 0 | 0 | 107.2 | E201 G205 | E201-S203 PolarHBondContact O-N 3.18Å; S203-G205 PolarHBondContact O-N 3.03Å | ||
| 204 | R | 42.8 | Very low | 49.2 | Very low | 231 Ų | 231 | 125.2 Ų | 125.2 | 87% | 0.872 | 70% | 0.696 | S | S | * | * | trans | -60.5 | 88.2 | 161.5 | -94.4 | 179.4 | 161.6 | 171.7 | -4.4 | 106.8 | K202 Q206 | K202-R204 PolarHBondContact O-N 3.32Å; R204-Q206 VanDerWaalsContact C-N 3.29Å; R204-Q206 PolarHBondContact O-N 3.16Å | ||
| 205 | G | 39.9 | Very low | 47.3 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -65.3 | 94.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | S203 | S203-G205 PolarHBondContact O-N 3.03Š| ||
| 206 | Q | 41.9 | Very low | 45.6 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | trans | -79.4 | 111.7 | 153.6 | -79.5 | -174.6 | 5.9 | 0 | 0 | 106.2 | R204 L208 | R204-Q206 VanDerWaalsContact C-N 3.29Å; R204-Q206 PolarHBondContact O-N 3.16Å; Q206-L208 PolarHBondContact O-N 2.65Å | ||
| 207 | V | 40.7 | Very low | 44.1 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 108 | 167.5 | 177.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 208 | L | 48.1 | Very low | 43 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -72.5 | 143.5 | 163.2 | -66.1 | 176.1 | 0 | 0 | 0 | 108.4 | Q206 G210 | Q206-L208 PolarHBondContact O-N 2.65Å; L208-G210 PolarHBondContact O-N 3.36Å | ||
| 209 | P | 42.5 | Very low | 41.8 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 95.9 | 178.6 | 29.3 | -31.1 | 0 | 0 | 0 | 108.1 | ||
| 210 | G | 52.7 | Low | 41.7 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.5 | -12.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | L208 E212 | L208-G210 PolarHBondContact O-N 3.36Å; G210-E212 PolarHBondContact O-N 3.26Å |
| 211 | G | 46.5 | Very low | 41.4 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 74.9 | 15.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 212 | E | 37.7 | Very low | 41.4 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -97.6 | 122 | 168 | -78.5 | -169.7 | 146.8 | 0 | 0 | 111.5 | G210 | G210-E212 PolarHBondContact O-N 3.26Š| ||
| 213 | F | 40 | Very low | 41.4 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -85.6 | 111.2 | 169.4 | -82.5 | -95.3 | 0 | 0 | 0 | 109.3 | ||||
| 214 | V | 37.8 | Very low | 41.1 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 67% | 0.667 | 81% | 0.813 | S | S | * | * | trans | -104.5 | 110.4 | 167.6 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | L216 | V214-L216 HydrophobicContact CG1-CD1 4.17Å; V214-L216 PolarHBondContact O-N 3.12Å | ||
| 215 | L | 38.9 | Very low | 40.9 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 92.9 | 169.1 | -84 | 164.8 | 0 | 0 | 0 | 108.8 | T217 | L215-T217 PolarHBondContact O-N 3.39Š| ||
| 216 | L | 39 | Very low | 41 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | -87.2 | 86.8 | 173.2 | -144.7 | 87.4 | 0 | 0 | 0 | 109.5 | V214 R218 | V214-L216 HydrophobicContact CG1-CD1 4.17Å; V214-L216 PolarHBondContact O-N 3.12Å; L216-R218 PolarHBondContact O-N 3.1Å; L216-R218 VanDerWaalsContact O-N 3.13Å | ||
| 217 | T | 37.8 | Very low | 40.9 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -73.6 | 97.7 | 166 | 36.6 | 0 | 0 | 0 | 0 | 108.9 | L215 V219 | L215-T217 PolarHBondContact O-N 3.39Å; T217-V219 PolarHBondContact O-N 3.17Å | ||
| 218 | R | 36.1 | Very low | 41 | Very low | 219 Ų | 219 | 144.9 Ų | 144.9 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 114 | 165 | -98.7 | -177 | 170.3 | 173.7 | -2.5 | 108.9 | L216 | L216-R218 PolarHBondContact O-N 3.1Å; L216-R218 VanDerWaalsContact O-N 3.13Å | ||
| 219 | V | 32.7 | Very low | 40.4 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | -80.8 | 119.9 | 164.1 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | T217 | T217-V219 PolarHBondContact O-N 3.17Š| ||
| 220 | T | 42.8 | Very low | 40.2 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 100% | 1.215 | 83% | 0.826 | S | S | * | * | trans | -132.2 | 0 | 161.9 | 53.1 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 220 of 220 residues in 112.3 ms
(Link to these results)