| 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 | C | 37.8 | Very low | 30.5 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 100% | 1.142 | 82% | 0.815 | S | S | * | * | 0 | 85.3 | 0 | -57.7 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | T | 30.2 | Very low | 30.9 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | 43.6 | 121.5 | 63.5 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | A | 29.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | cis | -152.2 | 138.6 | 41 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | A | 31.2 | Very low | 31.2 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | 81 | 123 | 61.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 5 | M | 29 | Very low | 31.1 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 84% | 0.837 | 80% | 0.798 | S | S | * | * | trans | 60.2 | 120.2 | 151.1 | -75.3 | -147.3 | -106.7 | 0 | 0 | 120.8 | ||||
| 6 | L | 27.6 | Very low | 31 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | -150.1 | 84.2 | 121.4 | -131.7 | 97.1 | 0 | 0 | 0 | 109.9 | I8 | L6-I8 HydrophobicContact CD2-CD1 3.92Å; L6-I8 HydrophobicContact CD2-CG1 3.9Å; L6-I8 HydrophobicContact CG-CG1 4.48Å | |||
| 7 | L | 29.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -90.7 | 102.1 | 162.2 | -118 | 140 | 0 | 0 | 0 | 105.8 | F9 | L7-F9 PolarHBondContact O-N 3.14Å; L7-F9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | I | 34 | Very low | 31 | Very low | 131 Ų | 131 | 141 Ų | 141 | 67% | 0.672 | 80% | 0.799 | S | S | * | * | trans | -78.3 | 100 | 173.1 | -62.7 | 177.4 | 0 | 0 | 0 | 107.2 | L6 L10 | L6-I8 HydrophobicContact CD2-CD1 3.92Å; L6-I8 HydrophobicContact CD2-CG1 3.9Å; L6-I8 HydrophobicContact CG-CG1 4.48Å; I8-L10 PolarHBondContact O-N 2.9Å | ||
| 9 | F | 29.6 | Very low | 31.3 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | -64.6 | 111.8 | 159.8 | -88 | -92.9 | 0 | 0 | 0 | 108.9 | L7 L11 | L7-F9 PolarHBondContact O-N 3.14Å; L7-F9 VanDerWaalsContact O-N 3.17Å; F9-L11 PolarHBondContact O-N 2.69Å | ||
| 10 | L | 29.3 | Very low | 31.3 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -89 | 90.2 | 156 | -81.2 | 165.1 | 0 | 0 | 0 | 107.5 | I8 | I8-L10 PolarHBondContact O-N 2.9Š| ||
| 11 | L | 28.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 134 Ų | 134 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 137.8 | 162.2 | -78.1 | 157.1 | 0 | 0 | 0 | 108.9 | F9 L13 | F9-L11 PolarHBondContact O-N 2.69Å; L11-L13 PolarHBondContact O-N 2.79Å | ||
| 12 | P | 35.1 | Very low | 31.1 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -70.1 | 133.3 | 169 | 29.5 | -30 | 0 | 0 | 0 | 109 | I14 | P12-I14 VanDerWaalsContact C-N 3.31Å; P12-I14 PolarHBondContact O-N 2.04Å | ||
| 13 | L | 29.8 | Very low | 31.5 | Very low | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -58.4 | 92.2 | 164.7 | -85.1 | 122.5 | 0 | 0 | 0 | 109.5 | L11 | L11-L13 PolarHBondContact O-N 2.79Š| ||
| 14 | I | 35.4 | Very low | 33.1 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | -114.2 | 78.7 | 156.4 | -58.4 | 169.6 | 0 | 0 | 0 | 105.3 | P12 S16 | P12-I14 VanDerWaalsContact C-N 3.31Å; P12-I14 PolarHBondContact O-N 2.04Å; I14-S16 PolarHBondContact O-N 3.43Å | ||
| 15 | S | 29.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -80.4 | 99.7 | 172.6 | -59.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | S | 29.5 | Very low | 37.3 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | 29.2 | 94.4 | 139.4 | -152.2 | 0 | 0 | 0 | 0 | 116.8 | I14 E18 | I14-S16 PolarHBondContact O-N 3.43Å; S16-E18 PolarHBondContact O-N 2.72Å | ||
| 17 | L | 33.7 | Very low | 39.7 | Very low | 180 Ų | 180 | 118.9 Ų | 118.9 | 94% | 0.942 | 68% | 0.68 | S | S | * | * | trans | -82.6 | 88.6 | 152.9 | -93.7 | 150.7 | 0 | 0 | 0 | 107.1 | G19 | L17-G19 PolarHBondContact O-N 2.92Å; L17-G19 VanDerWaalsContact O-N 3.17Å | ||
| 18 | E | 28.6 | Very low | 42.2 | Very low | 178 Ų | 178 | 114.2 Ų | 114.2 | 83% | 0.832 | 66% | 0.656 | S | S | * | * | trans | -58.9 | 116.7 | 172.2 | -80.1 | 179.4 | 157.4 | 0 | 0 | 110 | S16 | S16-E18 PolarHBondContact O-N 2.72Š| ||
| 19 | G | 37 | Very low | 44.1 | Very low | 58 Ų | 58 | 111 Ų | 111 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | trans | -77 | 140.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | L17 | L17-G19 PolarHBondContact O-N 2.92Å; L17-G19 VanDerWaalsContact O-N 3.17Å | ||
| 20 | S | 30.5 | Very low | 46.2 | Very low | 102 Ų | 102 | 104.7 Ų | 104.7 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | trans | -151.5 | 125.3 | 151.3 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | S | 35.2 | Very low | 48.1 | Very low | 115 Ų | 115 | 103 Ų | 103 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 55.2 | 97.2 | 139.8 | 178.9 | 0 | 0 | 0 | 0 | 118.8 | ||
| 22 | G | 31.2 | Very low | 49.9 | Very low | 84 Ų | 84 | 104.7 Ų | 104.7 | 87% | 0.866 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 165.1 | -9.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 23 | A | 38.2 | Very low | 52 | Low | 80 Ų | 80 | 100 Ų | 100 | 66% | 0.661 | 59% | 0.589 | S | S | * | * | trans | -150.3 | 139.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R25 | A23-R25 PolarHBondContact O-N 2.82Š| ||
| 24 | K | 61.6 | Low | 54.4 | Low | 138 Ų | 138 | 92.2 Ų | 92.2 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -60.8 | 39 | 178.3 | -73.5 | 170.4 | 167 | 172.1 | 0 | 115.1 | M39 | K24-M39 HydrophobicContact CB-CB 4.44Å; K24-M39 PolarHBondContact O-N 3.49Å |
| 25 | R | 69.9 | Low | 56.8 | Low | 115 Ų | 115 | 85.2 Ų | 85.2 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126.2 | -172.1 | -66.5 | -178.7 | 175.5 | 169.4 | -0.8 | 111 | A23 V36 L37 N38 | A23-R25 PolarHBondContact O-N 2.82Å; R25-V36 HydrophobicContact CB-CG1 4.38Å; R25-L37 WeakPolarHBondContact CA-O 3.19Å; R25-N38 WeakPolarHBondContact CD-OD1 3.46Å; R25-N38 WeakPolarHBondContact CG-OD1 3.39Å; R25-N38 PolarHBondContact NE-OD1 3.01Å |
| 26 | E | 78.8 | Confident | 59.5 | Low | 31 Ų | 31 | 80.9 Ų | 80.9 | 15% | 0.145 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.8 | 173.5 | -69.7 | -56.4 | 154.6 | 0 | 0 | 110.5 | V36 L37 V77 Q80 | E26-V36 CarbonylContact O-C 3.47Å; E26-V36 WeakPolarHBondContact O-CA 3.48Å; E26-L37 HydrophobicContact CB-CB 4.49Å; E26-L37 PolarHBondContact N-O 3.02Å; E26-L37 VanDerWaalsContact N-O 3.14Å; E26-L37 PolarHBondContact O-N 2.89Å; E26-V77 HydrophobicContact CB-CG2 4.22Å; E26-V77 HydrophobicContact CG-CG2 3.72Å; E26-Q80 PolarHBondContact OE1-NE2 3.31Å; E26-Q80 PolarHBondContact OE1-OE1 2.84Å |
| 27 | M | 79.3 | Confident | 62.3 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.3 | -170.1 | 179.1 | -179.7 | 159.2 | 0 | 0 | 112.2 | C29 C34 F35 V36 F189 | M27-C29 WeakPolarHBondContact CE-SG 3.38Å; M27-C34 HydrophobicContact CE-CB 4.35Å; M27-F35 VanDerWaalsContact CA-O 3.3Å; M27-F35 WeakPolarHBondContact CA-O 3.45Å; M27-V36 HydrophobicContact CB-CG2 4.48Å; M27-V36 HydrophobicContact CG-CG2 4.15Å; M27-V36 HydrophobicContact SD-CG2 4.5Å; M27-F189 HydrophobicContact CE-CB 3.66Å; M27-F189 HydrophobicContact CE-CD1 3.56Å; M27-F189 HydrophobicContact CE-CG 4.05Å; M27-F189 HydrophobicContact SD-CB 4.38Å; M27-F189 HydrophobicContact SD-CD1 4.19Å |
| 28 | L | 79.9 | Confident | 64.9 | Low | 46 Ų | 46 | 68.3 Ų | 68.3 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 126.9 | 176.8 | 178.3 | 69.1 | 0 | 0 | 0 | 108.7 | C34 F35 D69 L73 | L28-C34 CarbonylContact O-C 3.57Å; L28-C34 WeakPolarHBondContact O-CA 3.11Å; L28-F35 PolarHBondContact N-O 3.04Å; L28-F35 PolarHBondContact O-N 3.05Å; L28-D69 WeakPolarHBondContact CD2-O 3.46Å; L28-L73 HydrophobicContact CB-CD2 3.44Å; L28-L73 VanDerWaalsContact CB-CD2 3.44Å; L28-L73 HydrophobicContact CB-CG 3.73Å; L28-L73 HydrophobicContact CD2-CG 4.22Å |
| 29 | C | 75.3 | Confident | 67.7 | Low | 64 Ų | 64 | 61.8 Ų | 61.8 | 43% | 0.432 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.1 | 172.8 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | M27 C34 | M27-C29 WeakPolarHBondContact CE-SG 3.38Å; C29-C34 HydrophobicContact CB-CB 4.17Å; C29-C34 WeakPolarHBondContact CB-SG 3.49Å; C29-C34 WeakPolarHBondContact SG-CB 3.39Å; C29-C34 CovalentContact SG-SG 2.05Å; C29-C34 PolarHBondContact SG-SG 3.33Å |
| 30 | T | 73.7 | Confident | 70.1 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 20% | 0.202 | 38% | 0.375 | C | S | . | . | trans | -107.1 | 169.9 | 166.1 | 71.1 | 0 | 0 | 0 | 0 | 108.7 | K32 A33 F35 | T30-K32 PolarHBondContact O-N 2.03Å; T30-K32 VanDerWaalsContact O-N 3.07Å; T30-K32 PolarHBondContact OG1-N 3.22Å; T30-A33 PolarHBondContact N-O 2.99Å; T30-A33 PolarHBondContact OG1-N 3.37Å; T30-A33 VanDerWaalsContact OG1-N 3.12Å; T30-A33 PolarHBondContact OG1-O 2.93Å; T30-F35 HydrophobicContact CG2-CE2 3.89Å | ||
| 31 | P | 69.1 | Low | 73 | Confident | 130 Ų | 130 | 62.8 Ų | 62.8 | 84% | 0.844 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -59.7 | -19.4 | 175.6 | -25.9 | 35.5 | 0 | 0 | 0 | 114.8 | ||
| 32 | K | 67.1 | Low | 75.9 | Confident | 177 Ų | 177 | 58.5 Ų | 58.5 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -108.3 | -25.6 | -174.6 | -64.7 | -171 | 178.2 | -174.1 | 0 | 114 | T30 | T30-K32 PolarHBondContact O-N 2.03Å; T30-K32 VanDerWaalsContact O-N 3.07Å; T30-K32 PolarHBondContact OG1-N 3.22Å |
| 33 | A | 77.4 | Confident | 79.1 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 153.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T30 F35 K165 F166 | T30-A33 PolarHBondContact N-O 2.99Å; T30-A33 PolarHBondContact OG1-N 3.37Å; T30-A33 VanDerWaalsContact OG1-N 3.12Å; T30-A33 PolarHBondContact OG1-O 2.93Å; A33-F35 HydrophobicContact CB-CE2 4.29Å; A33-F35 HydrophobicContact CB-CZ 4.27Å; A33-K165 HydrophobicContact CB-CG 4.33Å; A33-F166 CarbonylContact C-O 3.55Å; A33-F166 WeakPolarHBondContact CA-O 3.02Å; A33-F166 VanDerWaalsContact CB-O 3.29Å; A33-F166 WeakPolarHBondContact CB-O 3.03Å |
| 34 | C | 81.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147 | 168 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | M27 L28 C29 F166 F168 F189 | M27-C34 HydrophobicContact CE-CB 4.35Å; L28-C34 CarbonylContact O-C 3.57Å; L28-C34 WeakPolarHBondContact O-CA 3.11Å; C29-C34 HydrophobicContact CB-CB 4.17Å; C29-C34 WeakPolarHBondContact CB-SG 3.49Å; C29-C34 WeakPolarHBondContact SG-CB 3.39Å; C29-C34 CovalentContact SG-SG 2.05Å; C29-C34 PolarHBondContact SG-SG 3.33Å; C34-F166 PolarHBondContact N-O 3.06Å; C34-F166 PolarHBondContact O-N 2.63Å; C34-F168 VanDerWaalsContact SG-CZ 3.56Å; C34-F189 HydrophobicContact CB-CD1 3.79Å; C34-F189 HydrophobicContact CB-CE1 3.54Å; C34-F189 HydrophobicContact CB-CZ 4.41Å |
| 35 | F | 85.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.1 | -178.3 | -54.7 | -93.2 | 0 | 0 | 0 | 108.8 | M27 L28 T30 A33 M59 D69 L73 C164 K165 | M27-F35 VanDerWaalsContact CA-O 3.3Å; M27-F35 WeakPolarHBondContact CA-O 3.45Å; L28-F35 PolarHBondContact N-O 3.04Å; L28-F35 PolarHBondContact O-N 3.05Å; T30-F35 HydrophobicContact CG2-CE2 3.89Å; A33-F35 HydrophobicContact CB-CE2 4.29Å; A33-F35 HydrophobicContact CB-CZ 4.27Å; F35-M59 HydrophobicContact CD1-CE 3.65Å; F35-M59 HydrophobicContact CD1-CG 4.22Å; F35-M59 HydrophobicContact CD1-SD 3.68Å; F35-M59 HydrophobicContact CE1-CE 3.59Å; F35-M59 HydrophobicContact CE1-CG 4.39Å; F35-M59 HydrophobicContact CE1-SD 4.15Å; F35-M59 HydrophobicContact CZ-CE 4.46Å; F35-D69 HydrophobicContact CD2-CB 4.46Å; F35-D69 HydrophobicContact CE2-CB 4.01Å; F35-D69 HydrophobicContact CZ-CB 4.07Å; F35-D69 WeakPolarHBondContact CZ-OD2 3.48Å; F35-L73 HydrophobicContact CB-CD1 3.42Å; F35-L73 VanDerWaalsContact CB-CD1 3.42Å; F35-L73 HydrophobicContact CB-CG 4.36Å; F35-L73 HydrophobicContact CG-CD1 4.42Å; F35-C164 CarbonylContact C-O 3.5Å; F35-C164 VanDerWaalsContact CA-O 3.31Å; F35-C164 WeakPolarHBondContact CA-O 2.99Å; F35-K165 HydrophobicContact CD1-CB 3.91Å; F35-K165 HydrophobicContact CD1-CD 4.38Å; F35-K165 HydrophobicContact CD1-CG 3.81Å; F35-K165 HydrophobicContact CE1-CB 4.03Å; F35-K165 HydrophobicContact CE1-CD 3.64Å; F35-K165 HydrophobicContact CE1-CG 3.51Å; F35-K165 HydrophobicContact CZ-CD 4.32Å; F35-K165 HydrophobicContact CZ-CG 4.29Å |
| 36 | V | 86.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.2 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 109 | R25 E26 M27 A163 C164 F166 | R25-V36 HydrophobicContact CB-CG1 4.38Å; E26-V36 CarbonylContact O-C 3.47Å; E26-V36 WeakPolarHBondContact O-CA 3.48Å; M27-V36 HydrophobicContact CB-CG2 4.48Å; M27-V36 HydrophobicContact CG-CG2 4.15Å; M27-V36 HydrophobicContact SD-CG2 4.5Å; V36-A163 CarbonylContact O-C 3.52Å; V36-A163 WeakPolarHBondContact O-CA 2.99Å; V36-C164 PolarHBondContact N-O 3.22Å; V36-C164 PolarHBondContact O-N 2.94Å; V36-F166 HydrophobicContact CB-CE2 3.89Å; V36-F166 HydrophobicContact CG2-CD2 4.09Å; V36-F166 HydrophobicContact CG2-CE2 3.62Å |
| 37 | L | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.9 | 175.1 | -177.1 | 66.3 | 0 | 0 | 0 | 109.9 | R25 E26 M39 L73 L74 V77 V88 A163 | R25-L37 WeakPolarHBondContact CA-O 3.19Å; E26-L37 HydrophobicContact CB-CB 4.49Å; E26-L37 PolarHBondContact N-O 3.02Å; E26-L37 VanDerWaalsContact N-O 3.14Å; E26-L37 PolarHBondContact O-N 2.89Å; L37-M39 HydrophobicContact CD2-SD 4.04Å; L37-M39 HydrophobicContact CG-SD 4.22Å; L37-L73 HydrophobicContact CB-CD1 4.47Å; L37-L74 HydrophobicContact CD1-CD2 4.43Å; L37-L74 HydrophobicContact CD2-CD2 3.72Å; L37-L74 HydrophobicContact CD2-CG 4.44Å; L37-V77 HydrophobicContact CD2-CG2 3.51Å; L37-V88 HydrophobicContact CD1-CG1 4.01Å; L37-V88 HydrophobicContact CD1-CG2 4.24Å; L37-A163 HydrophobicContact CD1-CB 4.11Å |
| 38 | N | 88.3 | Confident | 86.1 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.9 | 176.9 | -70 | -86.1 | 0 | 0 | 0 | 109.6 | R25 A161 Y162 | R25-N38 WeakPolarHBondContact CD-OD1 3.46Å; R25-N38 WeakPolarHBondContact CG-OD1 3.39Å; R25-N38 PolarHBondContact NE-OD1 3.01Å; N38-A161 WeakPolarHBondContact O-CA 3.45Å; N38-A161 WeakPolarHBondContact O-CB 3.43Å; N38-Y162 HydrophobicContact CB-CD1 3.94Å; N38-Y162 HydrophobicContact CB-CD2 4.16Å; N38-Y162 HydrophobicContact CB-CE1 3.48Å; N38-Y162 VanDerWaalsContact CB-CE1 3.48Å; N38-Y162 HydrophobicContact CB-CE2 3.74Å; N38-Y162 HydrophobicContact CB-CG 4.25Å; N38-Y162 PolarHBondContact N-O 3.22Å; N38-Y162 WeakPolarHBondContact ND2-CE2 3.43Å; N38-Y162 PolarHBondContact O-N 3.46Å; N38-Y162 VanDerWaalsContact O-N 3.13Å |
| 39 | M | 85.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 50 Ų | 50 | 20% | 0.197 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -13 | -175.3 | -65.6 | -63.1 | -67.7 | 0 | 0 | 113.8 | K24 L37 P41 V77 L86 | K24-M39 HydrophobicContact CB-CB 4.44Å; K24-M39 PolarHBondContact O-N 3.49Å; L37-M39 HydrophobicContact CD2-SD 4.04Å; L37-M39 HydrophobicContact CG-SD 4.22Å; M39-P41 WeakPolarHBondContact O-CD 3.11Å; M39-V77 HydrophobicContact CE-CG1 3.62Å; M39-V77 HydrophobicContact SD-CG1 3.95Å; M39-V77 HydrophobicContact SD-CG2 4.1Å; M39-L86 HydrophobicContact CE-CD1 3.91Å; M39-L86 HydrophobicContact CE-CD2 3.97Å; M39-L86 HydrophobicContact SD-CD1 4.47Å; M39-L86 HydrophobicContact SD-CD2 3.88Å |
| 40 | E | 88.9 | Confident | 87.3 | Confident | 114 Ų | 114 | 48.6 Ų | 48.6 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.7 | 177.8 | -173.5 | 164.4 | 174.8 | 0 | 0 | 110.7 | V42 | E40-V42 PolarHBondContact O-N 3.19Å |
| 41 | P | 91.5 | Very high | 88 | Confident | 68 Ų | 68 | 47 Ų | 47 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.6 | -169.9 | 31.1 | -35.2 | 0 | 0 | 0 | 111.5 | M39 K159 A160 | M39-P41 WeakPolarHBondContact O-CD 3.11Å; P41-K159 HydrophobicContact CB-CB 4.05Å; P41-A160 VanDerWaalsContact CA-O 3.28Å; P41-A160 WeakPolarHBondContact CA-O 3.31Å |
| 42 | V | 95.8 | Very high | 88.8 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 166.6 | 179 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | E40 K46 A47 W89 K159 A160 Y162 | E40-V42 PolarHBondContact O-N 3.19Å; V42-K46 HydrophobicContact CB-CB 4.26Å; V42-K46 HydrophobicContact CB-CG 4.33Å; V42-K46 HydrophobicContact CG2-CB 4.44Å; V42-A47 HydrophobicContact CG2-CB 3.82Å; V42-W89 PolarHBondContact O-NE1 3.2Å; V42-W89 VanDerWaalsContact O-NE1 3.1Å; V42-K159 VanDerWaalsContact O-CA 3.32Å; V42-K159 WeakPolarHBondContact O-CA 3.38Å; V42-A160 PolarHBondContact N-O 3.33Å; V42-A160 PolarHBondContact O-N 3.47Å; V42-Y162 HydrophobicContact CG2-CD1 3.58Å; V42-Y162 HydrophobicContact CG2-CE1 3.46Å; V42-Y162 VanDerWaalsContact CG2-CE1 3.46Å |
| 43 | D | 97.1 | Very high | 89.4 | Confident | 55 Ų | 55 | 42 Ų | 42 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | trans | -71 | 162.8 | 171.4 | 70 | 74.1 | 0 | 0 | 0 | 111.8 | H45 K46 A47 K158 | D43-H45 VanDerWaalsContact C-N 3.32Å; D43-H45 PolarHBondContact O-N 3.01Å; D43-H45 PolarHBondContact OD1-N 2.6Å; D43-K46 PolarHBondContact O-N 3.04Å; D43-K46 PolarHBondContact OD1-N 3.41Å; D43-A47 PolarHBondContact O-N 3.06Å; D43-K158 WeakPolarHBondContact CA-O 3.48Å | ||
| 44 | F | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | -174 | -178.4 | -85.6 | 0 | 0 | 0 | 113.1 | K46 A47 Q48 L58 W89 I90 K93 V112 C136 C156 | F44-K46 VanDerWaalsContact C-N 3.33Å; F44-A47 PolarHBondContact O-N 2.81Å; F44-Q48 WeakPolarHBondContact O-CB 3.02Å; F44-Q48 PolarHBondContact O-N 3.07Å; F44-L58 HydrophobicContact CD2-CD2 3.91Å; F44-L58 HydrophobicContact CE1-CD2 4.47Å; F44-L58 HydrophobicContact CE2-CD2 3.5Å; F44-L58 HydrophobicContact CZ-CD2 3.8Å; F44-W89 HydrophobicContact CB-CD2 4.32Å; F44-W89 HydrophobicContact CD2-CB 4.4Å; F44-W89 AromaticContact CD2-CD2 3.98Å; F44-W89 HydrophobicContact CD2-CD2 3.98Å; F44-W89 AromaticContact CD2-CE3 3.78Å; F44-W89 HydrophobicContact CD2-CE3 3.78Å; F44-W89 HydrophobicContact CD2-CG 4.27Å; F44-W89 HydrophobicContact CD2-CZ3 4.4Å; F44-I90 VanDerWaalsContact CE2-O 3.26Å; F44-I90 WeakPolarHBondContact CE2-O 3.29Å; F44-K93 HydrophobicContact CE1-CB 4.33Å; F44-K93 HydrophobicContact CE1-CD 3.99Å; F44-K93 HydrophobicContact CZ-CB 4.07Å; F44-V112 HydrophobicContact CE1-CG1 3.97Å; F44-V112 HydrophobicContact CZ-CG1 3.74Å; F44-C136 HydrophobicContact CB-CB 4.1Å; F44-C136 HydrophobicContact CD1-CB 4.47Å; F44-C136 WeakPolarHBondContact CD1-SG 3.27Å; F44-C136 HydrophobicContact CD2-CB 3.49Å; F44-C136 VanDerWaalsContact CD2-CB 3.49Å; F44-C136 VanDerWaalsContact CD2-SG 3.59Å; F44-C136 HydrophobicContact CE2-CB 3.9Å; F44-C136 HydrophobicContact CG-CB 3.79Å; F44-C136 WeakPolarHBondContact CG-SG 3.4Å; F44-C156 HydrophobicContact CB-CB 4.11Å; F44-C156 WeakPolarHBondContact CB-O 3.49Å; F44-C156 PolarHBondContact N-O 2.92Å |
| 45 | H | 95.1 | Very high | 89.2 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69 | -40.8 | -176 | -65.4 | 75.3 | 0 | 0 | 0 | 109.7 | D43 Q48 E49 K93 E134 | D43-H45 VanDerWaalsContact C-N 3.32Å; D43-H45 PolarHBondContact O-N 3.01Å; D43-H45 PolarHBondContact OD1-N 2.6Å; H45-Q48 PolarHBondContact O-N 3.39Å; H45-E49 WeakPolarHBondContact O-CB 3.41Å; H45-E49 PolarHBondContact O-N 2.92Å; H45-K93 PolarHBondContact NE2-NZ 2.79Å; H45-E134 IonicContact CE1-OE1 2.68Å; H45-E134 IonicContact NE2-OE1 3.97Å |
| 46 | K | 95.4 | Very high | 89.1 | Confident | 89 Ų | 89 | 42.9 Ų | 42.9 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 174.4 | -168.1 | 67.5 | -166.2 | 164.6 | 0 | 112.3 | V42 D43 F44 Q48 E49 I50 | V42-K46 HydrophobicContact CB-CB 4.26Å; V42-K46 HydrophobicContact CB-CG 4.33Å; V42-K46 HydrophobicContact CG2-CB 4.44Å; D43-K46 PolarHBondContact O-N 3.04Å; D43-K46 PolarHBondContact OD1-N 3.41Å; F44-K46 VanDerWaalsContact C-N 3.33Å; K46-Q48 PolarHBondContact O-N 2.83Å; K46-E49 WeakPolarHBondContact CD-OE2 2.9Å; K46-E49 IonicContact NZ-OE2 2.58Å; K46-E49 PolarHBondContact NZ-OE2 2.92Å; K46-E49 PolarHBondContact O-N 3.33Å; K46-I50 HydrophobicContact CD-CD1 4.5Å; K46-I50 HydrophobicContact CG-CD1 3.92Å; K46-I50 HydrophobicContact CG-CG1 4.47Å; K46-I50 WeakPolarHBondContact O-CB 3.48Å; K46-I50 WeakPolarHBondContact O-CD1 3.32Å; K46-I50 WeakPolarHBondContact O-CG1 3.16Å; K46-I50 PolarHBondContact O-N 2.79Å |
| 47 | A | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V42 D43 F44 I50 C51 L58 Y162 | V42-A47 HydrophobicContact CG2-CB 3.82Å; D43-A47 PolarHBondContact O-N 3.06Å; F44-A47 PolarHBondContact O-N 2.81Å; A47-I50 PolarHBondContact O-N 3.03Å; A47-C51 PolarHBondContact O-N 3.1Å; A47-C51 PolarHBondContact O-SG 2.91Å; A47-L58 HydrophobicContact CB-CD1 4.01Å; A47-Y162 HydrophobicContact CB-CD1 4Å; A47-Y162 HydrophobicContact CB-CD2 3.87Å; A47-Y162 HydrophobicContact CB-CE2 4.45Å; A47-Y162 HydrophobicContact CB-CG 3.61Å |
| 48 | Q | 93.8 | Very high | 89.4 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 178.2 | -175.6 | -178.7 | -5.7 | 0 | 0 | 112 | F44 H45 K46 C51 K52 V112 | F44-Q48 WeakPolarHBondContact O-CB 3.02Å; F44-Q48 PolarHBondContact O-N 3.07Å; H45-Q48 PolarHBondContact O-N 3.39Å; K46-Q48 PolarHBondContact O-N 2.83Å; Q48-C51 PolarHBondContact O-N 3.31Å; Q48-K52 WeakPolarHBondContact O-CB 3.44Å; Q48-K52 PolarHBondContact O-N 3.34Å; Q48-V112 HydrophobicContact CG-CG2 4.45Å |
| 49 | E | 91.6 | Very high | 89.6 | Confident | 96 Ų | 96 | 46 Ų | 46 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 176.3 | -174.8 | -172 | -154.4 | 0 | 0 | 111.2 | H45 K46 C51 K52 D53 | H45-E49 WeakPolarHBondContact O-CB 3.41Å; H45-E49 PolarHBondContact O-N 2.92Å; K46-E49 WeakPolarHBondContact CD-OE2 2.9Å; K46-E49 IonicContact NZ-OE2 2.58Å; K46-E49 PolarHBondContact NZ-OE2 2.92Å; K46-E49 PolarHBondContact O-N 3.33Å; E49-C51 PolarHBondContact O-N 2.94Å; E49-K52 PolarHBondContact O-N 2.65Å; E49-D53 WeakPolarHBondContact O-CB 3.29Å; E49-D53 PolarHBondContact O-N 2.93Å |
| 50 | I | 89.4 | Confident | 89.8 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 18% | 0.179 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 179.1 | -67.9 | 164.9 | 0 | 0 | 0 | 110.9 | K46 A47 K52 D53 D54 Y162 | K46-I50 HydrophobicContact CD-CD1 4.5Å; K46-I50 HydrophobicContact CG-CD1 3.92Å; K46-I50 HydrophobicContact CG-CG1 4.47Å; K46-I50 WeakPolarHBondContact O-CB 3.48Å; K46-I50 WeakPolarHBondContact O-CD1 3.32Å; K46-I50 WeakPolarHBondContact O-CG1 3.16Å; K46-I50 PolarHBondContact O-N 2.79Å; A47-I50 PolarHBondContact O-N 3.03Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.23Å; I50-D53 PolarHBondContact O-N 3.4Å; I50-D54 WeakPolarHBondContact O-CB 3.44Å; I50-D54 PolarHBondContact O-N 2.72Å; I50-Y162 HydrophobicContact CB-CE2 4.42Å; I50-Y162 WeakPolarHBondContact CD1-OH 3.26Å; I50-Y162 HydrophobicContact CG2-CE2 4.19Å; I50-Y162 WeakPolarHBondContact CG2-OH 3.38Å |
| 51 | C | 88.5 | Confident | 89.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | A47 Q48 E49 D54 G55 G56 C164 | A47-C51 PolarHBondContact O-N 3.1Å; A47-C51 PolarHBondContact O-SG 2.91Å; Q48-C51 PolarHBondContact O-N 3.31Å; E49-C51 PolarHBondContact O-N 2.94Å; C51-D54 PolarHBondContact O-N 2.98Å; C51-G55 PolarHBondContact O-N 3.39Å; C51-G56 CarbonylContact C-O 3.57Å; C51-G56 CarbonylContact O-C 3.54Å; C51-G56 WeakPolarHBondContact O-CA 3.45Å; C51-G56 PolarHBondContact O-N 2.89Å; C51-G56 VanDerWaalsContact O-O 3.13Å; C51-C164 WeakPolarHBondContact CA-SG 3.34Å; C51-C164 HydrophobicContact CB-CB 3.76Å; C51-C164 WeakPolarHBondContact CB-SG 3.42Å; C51-C164 VanDerWaalsContact SG-CA 3.52Å; C51-C164 WeakPolarHBondContact SG-CB 3.28Å; C51-C164 CovalentContact SG-SG 2.04Å; C51-C164 PolarHBondContact SG-SG 3.16Å |
| 52 | K | 85.6 | Confident | 89.7 | Confident | 140 Ų | 140 | 37.7 Ų | 37.7 | 61% | 0.609 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -65.6 | -43.2 | 178.3 | -171.4 | -179.2 | -179.9 | -177.6 | 0 | 112.2 | Q48 E49 I50 D54 G55 G56 | Q48-K52 WeakPolarHBondContact O-CB 3.44Å; Q48-K52 PolarHBondContact O-N 3.34Å; E49-K52 PolarHBondContact O-N 2.65Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.23Å; K52-D54 VanDerWaalsContact C-N 3.31Å; K52-D54 PolarHBondContact O-N 2.88Å; K52-G55 PolarHBondContact O-N 3.01Å; K52-G56 WeakPolarHBondContact CA-O 3.49Å |
| 53 | D | 80.7 | Confident | 89.3 | Confident | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.3 | -34.1 | 178.5 | -91.5 | -31.5 | 0 | 0 | 0 | 113 | E49 I50 G55 R220 K222 | E49-D53 WeakPolarHBondContact O-CB 3.29Å; E49-D53 PolarHBondContact O-N 2.93Å; I50-D53 PolarHBondContact O-N 3.4Å; D53-G55 PolarHBondContact O-N 2.85Å; D53-R220 WeakPolarHBondContact O-CD 3.28Å; D53-K222 IonicContact OD1-NZ 2.65Å; D53-K222 PolarHBondContact OD1-NZ 3.08Å |
| 54 | D | 78.4 | Confident | 88.9 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.3 | 173.8 | -73.4 | -20.1 | 0 | 0 | 0 | 112.8 | I50 C51 K52 F166 I188 G204 R220 | I50-D54 WeakPolarHBondContact O-CB 3.44Å; I50-D54 PolarHBondContact O-N 2.72Å; C51-D54 PolarHBondContact O-N 2.98Å; K52-D54 VanDerWaalsContact C-N 3.31Å; K52-D54 PolarHBondContact O-N 2.88Å; D54-F166 HydrophobicContact CB-CE1 3.8Å; D54-F166 HydrophobicContact CB-CZ 4.06Å; D54-F166 VanDerWaalsContact O-CE1 3.26Å; D54-F166 WeakPolarHBondContact O-CE1 3.44Å; D54-I188 HydrophobicContact CB-CD1 4.3Å; D54-I188 HydrophobicContact CB-CG2 4.33Å; D54-G204 WeakPolarHBondContact O-CA 3.49Å; D54-R220 IonicContact OD1-CZ 3.65Å; D54-R220 IonicContact OD1-NH1 3.62Å; D54-R220 PolarHBondContact OD1-NH1 2.88Å; D54-R220 IonicContact OD1-NH2 3.91Å |
| 55 | G | 75.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 28.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.5 | C51 K52 D53 Y203 | C51-G55 PolarHBondContact O-N 3.39Å; K52-G55 PolarHBondContact O-N 3.01Å; D53-G55 PolarHBondContact O-N 2.85Å; G55-Y203 WeakPolarHBondContact O-CD1 3.49Å; G55-Y203 WeakPolarHBondContact O-CE1 3.43Å |
| 56 | G | 84.1 | Confident | 88.1 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -133.2 | -160.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | C51 K52 K165 F166 | C51-G56 CarbonylContact C-O 3.57Å; C51-G56 CarbonylContact O-C 3.54Å; C51-G56 WeakPolarHBondContact O-CA 3.45Å; C51-G56 PolarHBondContact O-N 2.89Å; C51-G56 VanDerWaalsContact O-O 3.13Å; K52-G56 WeakPolarHBondContact CA-O 3.49Å; G56-K165 CarbonylContact C-O 3.3Å; G56-K165 VanDerWaalsContact CA-O 3.28Å; G56-K165 WeakPolarHBondContact CA-O 3.28Å; G56-F166 VanDerWaalsContact CA-CD1 3.41Å |
| 57 | Y | 88.9 | Confident | 87.8 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.5 | 175.6 | -59 | -88.1 | 0 | 0 | 0 | 108.6 | M59 C164 K165 Y167 | Y57-M59 PolarHBondContact O-N 2.93Å; Y57-C164 CarbonylContact O-C 3.46Å; Y57-C164 WeakPolarHBondContact O-CA 3.37Å; Y57-K165 PolarHBondContact N-O 2.8Å; Y57-K165 PolarHBondContact O-N 3.35Å; Y57-Y167 HydrophobicContact CD2-CD2 4.15Å; Y57-Y167 HydrophobicContact CD2-CE2 4.07Å; Y57-Y167 HydrophobicContact CE2-CD2 4.33Å |
| 58 | L | 92.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 129.5 | 167.7 | -165.6 | 64.3 | 0 | 0 | 0 | 108.2 | F44 A47 T60 W89 V112 Y162 | F44-L58 HydrophobicContact CD2-CD2 3.91Å; F44-L58 HydrophobicContact CE1-CD2 4.47Å; F44-L58 HydrophobicContact CE2-CD2 3.5Å; F44-L58 HydrophobicContact CZ-CD2 3.8Å; A47-L58 HydrophobicContact CB-CD1 4.01Å; L58-T60 PolarHBondContact O-N 2.81Å; L58-W89 HydrophobicContact CD1-CB 4.46Å; L58-W89 HydrophobicContact CD2-CB 4.24Å; L58-V112 HydrophobicContact CB-CG2 4.16Å; L58-Y162 HydrophobicContact CD1-CD2 4.26Å |
| 59 | M | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 133.6 | -168.7 | 179.5 | 169.5 | -178 | 0 | 0 | 111.3 | F35 Y57 L61 E66 D69 L70 I90 G91 A163 K165 | F35-M59 HydrophobicContact CD1-CE 3.65Å; F35-M59 HydrophobicContact CD1-CG 4.22Å; F35-M59 HydrophobicContact CD1-SD 3.68Å; F35-M59 HydrophobicContact CE1-CE 3.59Å; F35-M59 HydrophobicContact CE1-CG 4.39Å; F35-M59 HydrophobicContact CE1-SD 4.15Å; F35-M59 HydrophobicContact CZ-CE 4.46Å; Y57-M59 PolarHBondContact O-N 2.93Å; M59-L61 HydrophobicContact CE-CD2 4Å; M59-E66 WeakPolarHBondContact CE-O 3.48Å; M59-D69 HydrophobicContact CE-CB 4.3Å; M59-L70 HydrophobicContact CE-CB 3.62Å; M59-L70 HydrophobicContact SD-CB 4.11Å; M59-L70 HydrophobicContact SD-CD1 3.98Å; M59-L70 HydrophobicContact SD-CG 4.49Å; M59-I90 CarbonylContact O-C 3.57Å; M59-I90 WeakPolarHBondContact O-CA 3.48Å; M59-G91 PolarHBondContact O-N 3.24Å; M59-A163 HydrophobicContact CB-CB 3.8Å; M59-A163 WeakPolarHBondContact CB-O 3.5Å; M59-A163 HydrophobicContact CG-CB 4.41Å; M59-A163 PolarHBondContact N-O 3.11Å; M59-A163 HydrophobicContact SD-CB 3.76Å; M59-K165 HydrophobicContact CB-CB 4.28Å; M59-K165 HydrophobicContact CG-CB 4.42Å |
| 60 | T | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -94 | 156.8 | 172.4 | 62.5 | 0 | 0 | 0 | 0 | 110.2 | L58 E66 W111 S113 | L58-T60 PolarHBondContact O-N 2.81Å; T60-E66 PolarHBondContact OG1-OE2 3.32Å; T60-W111 HydrophobicContact CG2-CD2 4.02Å; T60-W111 HydrophobicContact CG2-CE3 3.58Å; T60-W111 HydrophobicContact CG2-CG 4.43Å; T60-W111 HydrophobicContact CG2-CZ3 4.15Å; T60-S113 WeakPolarHBondContact CG2-OG 3.46Å |
| 61 | L | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -126.7 | 76 | 171.7 | -66.7 | -175.3 | 0 | 0 | 0 | 108.5 | M59 E66 E67 L70 I90 W111 V139 W151 | M59-L61 HydrophobicContact CE-CD2 4Å; L61-E66 HydrophobicContact CD2-CB 4.24Å; L61-E66 WeakPolarHBondContact CD2-O 3.49Å; L61-E66 PolarHBondContact N-OE2 3.39Å; L61-E67 HydrophobicContact CD2-CB 4.46Å; L61-L70 HydrophobicContact CD1-CD2 3.99Å; L61-L70 HydrophobicContact CD2-CB 4.13Å; L61-L70 HydrophobicContact CD2-CD2 4.06Å; L61-L70 HydrophobicContact CG-CD2 4.47Å; L61-I90 HydrophobicContact CD1-CD1 4.33Å; L61-I90 HydrophobicContact CD1-CG2 3.93Å; L61-I90 HydrophobicContact CG-CG2 4.05Å; L61-W111 HydrophobicContact CB-CH2 4.2Å; L61-W111 VanDerWaalsContact N-CH2 3.26Å; L61-W111 WeakPolarHBondContact O-CZ2 3.49Å; L61-V139 HydrophobicContact CD1-CG2 3.73Å; L61-W151 HydrophobicContact CB-CH2 4.39Å; L61-W151 HydrophobicContact CB-CZ2 3.66Å; L61-W151 HydrophobicContact CD1-CZ2 4.26Å; L61-W151 WeakPolarHBondContact O-CH2 3.4Å; L61-W151 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 62 | R | 87.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | trans | -90.1 | -17 | -171.1 | -65.4 | 178.6 | 174.1 | -156.3 | -1.3 | 114.2 | E66 W111 S113 N115 S118 Y120 | R62-E66 WeakPolarHBondContact CB-OE2 3.47Å; R62-E66 WeakPolarHBondContact CG-OE2 2.92Å; R62-E66 PolarHBondContact N-OE2 3.5Å; R62-W111 HydrophobicContact CG-CZ2 4.2Å; R62-S113 PolarHBondContact NH2-OG 3.25Å; R62-N115 PolarHBondContact NH1-ND2 3.22Å; R62-N115 PolarHBondContact NH2-ND2 2.79Å; R62-S118 WeakPolarHBondContact O-CB 3.43Å; R62-Y120 WeakPolarHBondContact O-CB 3.45Å | ||
| 63 | D | 88.2 | Confident | 86.5 | Confident | 72 Ų | 72 | 42 Ų | 42 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -153.6 | 176.4 | 179.1 | 60.5 | 43.8 | 0 | 0 | 0 | 110.2 | K65 E66 E67 | D63-K65 PolarHBondContact O-N 2.91Å; D63-K65 WeakPolarHBondContact OD1-CA 3.41Å; D63-K65 VanDerWaalsContact OD1-CB 3.26Å; D63-K65 WeakPolarHBondContact OD1-CB 3.22Å; D63-K65 PolarHBondContact OD1-N 3.01Å; D63-E66 PolarHBondContact O-N 3.11Å; D63-E66 PolarHBondContact OD1-N 2.87Å; D63-E67 PolarHBondContact O-N 3.29Å |
| 64 | R | 87.6 | Confident | 86.7 | Confident | 185 Ų | 185 | 39.1 Ų | 39.1 | 70% | 0.698 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.5 | -29.4 | 178.6 | -70.6 | -171.4 | 177.2 | -171.5 | -1.4 | 113.1 | E67 E68 Y120 | R64-E67 PolarHBondContact O-N 2.04Å; R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 2.76Å; R64-Y120 HydrophobicContact CG-CE2 3.85Å |
| 65 | K | 86.9 | Confident | 86.7 | Confident | 136 Ų | 136 | 40.3 Ų | 40.3 | 59% | 0.591 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -71.9 | -42.4 | -178.5 | -176 | 174.9 | -178 | 166.6 | 0 | 111.1 | D63 E67 E68 D69 | D63-K65 PolarHBondContact O-N 2.91Å; D63-K65 WeakPolarHBondContact OD1-CA 3.41Å; D63-K65 VanDerWaalsContact OD1-CB 3.26Å; D63-K65 WeakPolarHBondContact OD1-CB 3.22Å; D63-K65 PolarHBondContact OD1-N 3.01Å; K65-E67 VanDerWaalsContact C-N 3.25Å; K65-E67 PolarHBondContact O-N 2.98Å; K65-E68 WeakPolarHBondContact O-CB 3.4Å; K65-E68 PolarHBondContact O-N 2.79Å; K65-D69 PolarHBondContact O-N 2.8Å |
| 66 | E | 87.2 | Confident | 86.9 | Confident | 19 Ų | 19 | 43 Ų | 43 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -34.1 | 173.3 | -66.7 | -168 | 162.2 | 0 | 0 | 111.7 | M59 T60 L61 R62 D63 D69 L70 K165 | M59-E66 WeakPolarHBondContact CE-O 3.48Å; T60-E66 PolarHBondContact OG1-OE2 3.32Å; L61-E66 HydrophobicContact CD2-CB 4.24Å; L61-E66 WeakPolarHBondContact CD2-O 3.49Å; L61-E66 PolarHBondContact N-OE2 3.39Å; R62-E66 WeakPolarHBondContact CB-OE2 3.47Å; R62-E66 WeakPolarHBondContact CG-OE2 2.92Å; R62-E66 PolarHBondContact N-OE2 3.5Å; D63-E66 PolarHBondContact O-N 3.11Å; D63-E66 PolarHBondContact OD1-N 2.87Å; E66-D69 PolarHBondContact O-N 3.13Å; E66-L70 PolarHBondContact O-N 2.77Å; E66-L70 VanDerWaalsContact O-N 3.14Å; E66-K165 IonicContact OE1-NZ 2.82Å; E66-K165 PolarHBondContact OE1-NZ 2.84Å |
| 67 | E | 89 | Confident | 86.4 | Confident | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 172.5 | -166 | 179.6 | 93.2 | 0 | 0 | 112.1 | L61 D63 R64 K65 D69 L70 R71 Y120 N122 M149 | L61-E67 HydrophobicContact CD2-CB 4.46Å; D63-E67 PolarHBondContact O-N 3.29Å; R64-E67 PolarHBondContact O-N 2.04Å; K65-E67 VanDerWaalsContact C-N 3.25Å; K65-E67 PolarHBondContact O-N 2.98Å; E67-D69 PolarHBondContact O-N 3.4Å; E67-L70 PolarHBondContact O-N 3.21Å; E67-R71 WeakPolarHBondContact O-CB 3.34Å; E67-R71 PolarHBondContact O-N 3.49Å; E67-R71 IonicContact OE1-NH2 3.64Å; E67-R71 PolarHBondContact OE1-NH2 2.84Å; E67-Y120 PolarHBondContact OE1-OH 2.76Å; E67-Y120 PolarHBondContact OE2-OH 2.87Å; E67-N122 PolarHBondContact OE2-ND2 3.23Å; E67-M149 HydrophobicContact CG-CB 4.11Å; E67-M149 HydrophobicContact CG-CG 4.28Å; E67-M149 HydrophobicContact CG-SD 3.42Å; E67-M149 WeakPolarHBondContact CG-SD 3.19Å |
| 68 | E | 88.2 | Confident | 85.6 | Confident | 111 Ų | 111 | 42.7 Ų | 42.7 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 173.9 | -73.7 | 168 | -168.9 | 0 | 0 | 112.9 | R64 K65 R71 S72 | R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 2.76Å; K65-E68 WeakPolarHBondContact O-CB 3.4Å; K65-E68 PolarHBondContact O-N 2.79Å; E68-R71 WeakPolarHBondContact O-CB 3.36Å; E68-R71 PolarHBondContact O-N 2.97Å; E68-S72 WeakPolarHBondContact O-CB 3.22Å; E68-S72 PolarHBondContact O-N 2.83Å; E68-S72 PolarHBondContact O-OG 2.98Å |
| 69 | D | 86.2 | Confident | 84.3 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.2 | -72.6 | -27.6 | 0 | 0 | 0 | 111 | L28 F35 M59 K65 E66 E67 R71 S72 L73 | L28-D69 WeakPolarHBondContact CD2-O 3.46Å; F35-D69 HydrophobicContact CD2-CB 4.46Å; F35-D69 HydrophobicContact CE2-CB 4.01Å; F35-D69 HydrophobicContact CZ-CB 4.07Å; F35-D69 WeakPolarHBondContact CZ-OD2 3.48Å; M59-D69 HydrophobicContact CE-CB 4.3Å; K65-D69 PolarHBondContact O-N 2.8Å; E66-D69 PolarHBondContact O-N 3.13Å; E67-D69 PolarHBondContact O-N 3.4Å; D69-R71 VanDerWaalsContact C-N 3.32Å; D69-R71 PolarHBondContact O-N 3.28Å; D69-S72 PolarHBondContact O-N 3.49Å; D69-L73 PolarHBondContact O-N 3.35Å; D69-L73 VanDerWaalsContact O-N 3.08Å |
| 70 | L | 87.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 174.5 | -178.4 | 58 | 0 | 0 | 0 | 111.3 | M59 L61 E66 E67 S72 L73 L74 M149 A163 | M59-L70 HydrophobicContact CE-CB 3.62Å; M59-L70 HydrophobicContact SD-CB 4.11Å; M59-L70 HydrophobicContact SD-CD1 3.98Å; M59-L70 HydrophobicContact SD-CG 4.49Å; L61-L70 HydrophobicContact CD1-CD2 3.99Å; L61-L70 HydrophobicContact CD2-CB 4.13Å; L61-L70 HydrophobicContact CD2-CD2 4.06Å; L61-L70 HydrophobicContact CG-CD2 4.47Å; E66-L70 PolarHBondContact O-N 2.77Å; E66-L70 VanDerWaalsContact O-N 3.14Å; E67-L70 PolarHBondContact O-N 3.21Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 2.92Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-L74 HydrophobicContact CD1-CD1 4.01Å; L70-L74 HydrophobicContact CD1-CG 4.2Å; L70-L74 HydrophobicContact CD2-CD1 4.41Å; L70-L74 HydrophobicContact CG-CD1 3.76Å; L70-L74 HydrophobicContact CG-CG 4.4Å; L70-L74 VanDerWaalsContact O-CG 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.29Å; L70-L74 PolarHBondContact O-N 3.4Å; L70-M149 HydrophobicContact CB-CE 4.35Å; L70-M149 HydrophobicContact CB-SD 4.48Å; L70-M149 HydrophobicContact CD2-SD 4.21Å; L70-M149 HydrophobicContact CG-CE 4.14Å; L70-M149 HydrophobicContact CG-SD 4.39Å; L70-A163 HydrophobicContact CD1-CB 4.04Å |
| 71 | R | 87 | Confident | 81.6 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 19% | 0.185 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 178 | -165.1 | -177.6 | -45.9 | -83.8 | -7.1 | 111 | E67 E68 D69 L73 L74 S75 Y141 Q146 M149 | E67-R71 WeakPolarHBondContact O-CB 3.34Å; E67-R71 PolarHBondContact O-N 3.49Å; E67-R71 IonicContact OE1-NH2 3.64Å; E67-R71 PolarHBondContact OE1-NH2 2.84Å; E68-R71 WeakPolarHBondContact O-CB 3.36Å; E68-R71 PolarHBondContact O-N 2.97Å; D69-R71 VanDerWaalsContact C-N 3.32Å; D69-R71 PolarHBondContact O-N 3.28Å; R71-L73 VanDerWaalsContact C-N 3.34Å; R71-L73 PolarHBondContact O-N 3.27Å; R71-L74 PolarHBondContact O-N 2.9Å; R71-S75 WeakPolarHBondContact O-CB 3.3Å; R71-S75 PolarHBondContact O-N 2.87Å; R71-Y141 HydrophobicContact CG-CE2 3.98Å; R71-Q146 PolarHBondContact NH1-O 3.26Å; R71-M149 HydrophobicContact CB-CE 3.47Å; R71-M149 VanDerWaalsContact CB-CE 3.47Å; R71-M149 HydrophobicContact CG-CE 3.9Å |
| 72 | S | 85.1 | Confident | 80.2 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | E68 D69 L70 L74 S75 L76 | E68-S72 WeakPolarHBondContact O-CB 3.22Å; E68-S72 PolarHBondContact O-N 2.83Å; E68-S72 PolarHBondContact O-OG 2.98Å; D69-S72 PolarHBondContact O-N 3.49Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 2.92Å; S72-L74 PolarHBondContact O-N 2.87Å; S72-S75 PolarHBondContact O-N 3.04Å; S72-S75 PolarHBondContact O-OG 2.89Å; S72-L76 WeakPolarHBondContact O-CG 3.25Å; S72-L76 PolarHBondContact O-N 2.68Å |
| 73 | L | 83.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 173.8 | -85.7 | 176.2 | 0 | 0 | 0 | 113.3 | L28 F35 L37 D69 L70 R71 S75 L76 | L28-L73 HydrophobicContact CB-CD2 3.44Å; L28-L73 VanDerWaalsContact CB-CD2 3.44Å; L28-L73 HydrophobicContact CB-CG 3.73Å; L28-L73 HydrophobicContact CD2-CG 4.22Å; F35-L73 HydrophobicContact CB-CD1 3.42Å; F35-L73 VanDerWaalsContact CB-CD1 3.42Å; F35-L73 HydrophobicContact CB-CG 4.36Å; F35-L73 HydrophobicContact CG-CD1 4.42Å; L37-L73 HydrophobicContact CB-CD1 4.47Å; D69-L73 PolarHBondContact O-N 3.35Å; D69-L73 VanDerWaalsContact O-N 3.08Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 2.94Å; R71-L73 VanDerWaalsContact C-N 3.34Å; R71-L73 PolarHBondContact O-N 3.27Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 3.23Å; L73-L76 WeakPolarHBondContact O-CB 2.83Å; L73-L76 PolarHBondContact O-N 2.97Å |
| 74 | L | 84.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.6 | -34 | -178.5 | -69.6 | 165.9 | 0 | 0 | 0 | 112 | L37 L70 R71 S72 L76 V77 E78 L86 V88 Y141 M149 | L37-L74 HydrophobicContact CD1-CD2 4.43Å; L37-L74 HydrophobicContact CD2-CD2 3.72Å; L37-L74 HydrophobicContact CD2-CG 4.44Å; L70-L74 HydrophobicContact CD1-CD1 4.01Å; L70-L74 HydrophobicContact CD1-CG 4.2Å; L70-L74 HydrophobicContact CD2-CD1 4.41Å; L70-L74 HydrophobicContact CG-CD1 3.76Å; L70-L74 HydrophobicContact CG-CG 4.4Å; L70-L74 VanDerWaalsContact O-CG 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.29Å; L70-L74 PolarHBondContact O-N 3.4Å; R71-L74 PolarHBondContact O-N 2.9Å; S72-L74 PolarHBondContact O-N 2.87Å; L74-L76 PolarHBondContact O-N 3.21Å; L74-V77 WeakPolarHBondContact O-CB 3.27Å; L74-V77 PolarHBondContact O-N 2.02Å; L74-V77 VanDerWaalsContact O-N 3.13Å; L74-E78 PolarHBondContact O-N 3.15Å; L74-E78 VanDerWaalsContact O-N 3.13Å; L74-L86 HydrophobicContact CD2-CD2 3.27Å; L74-L86 HydrophobicContact CD2-CG 4.28Å; L74-V88 HydrophobicContact CD2-CG2 3.96Å; L74-Y141 HydrophobicContact CB-CD1 3.82Å; L74-Y141 HydrophobicContact CB-CE1 3.83Å; L74-Y141 HydrophobicContact CB-CG 4.27Å; L74-Y141 HydrophobicContact CD1-CD1 4.05Å; L74-Y141 HydrophobicContact CD1-CD2 4.05Å; L74-Y141 HydrophobicContact CD1-CG 3.68Å; L74-Y141 HydrophobicContact CG-CD1 4.4Å; L74-Y141 HydrophobicContact CG-CG 4.5Å; L74-M149 HydrophobicContact CD1-CE 3.61Å |
| 75 | S | 79.9 | Confident | 77.9 | Confident | 43 Ų | 43 | 69.8 Ų | 69.8 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -28.4 | 174.6 | 82.1 | 0 | 0 | 0 | 0 | 113 | R71 S72 L73 V77 | R71-S75 WeakPolarHBondContact O-CB 3.3Å; R71-S75 PolarHBondContact O-N 2.87Å; S72-S75 PolarHBondContact O-N 3.04Å; S72-S75 PolarHBondContact O-OG 2.89Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 3.23Å; S75-V77 VanDerWaalsContact C-N 3.34Å |
| 76 | L | 78 | Confident | 77.8 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | 174.1 | -63 | 172 | 0 | 0 | 0 | 111.5 | S72 L73 L74 | S72-L76 WeakPolarHBondContact O-CG 3.25Å; S72-L76 PolarHBondContact O-N 2.68Å; L73-L76 WeakPolarHBondContact O-CB 2.83Å; L73-L76 PolarHBondContact O-N 2.97Å; L74-L76 PolarHBondContact O-N 3.21Å |
| 77 | V | 74.1 | Confident | 78 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.1 | -37.5 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 112 | E26 L37 M39 L74 S75 K79 Q80 H81 | E26-V77 HydrophobicContact CB-CG2 4.22Å; E26-V77 HydrophobicContact CG-CG2 3.72Å; L37-V77 HydrophobicContact CD2-CG2 3.51Å; M39-V77 HydrophobicContact CE-CG1 3.62Å; M39-V77 HydrophobicContact SD-CG1 3.95Å; M39-V77 HydrophobicContact SD-CG2 4.1Å; L74-V77 WeakPolarHBondContact O-CB 3.27Å; L74-V77 PolarHBondContact O-N 2.02Å; L74-V77 VanDerWaalsContact O-N 3.13Å; S75-V77 VanDerWaalsContact C-N 3.34Å; V77-K79 PolarHBondContact O-N 3.18Å; V77-K79 VanDerWaalsContact O-N 3.16Å; V77-Q80 PolarHBondContact O-N 3.07Å; V77-H81 HydrophobicContact CG1-CB 4.35Å; V77-H81 PolarHBondContact O-N 3.37Å |
| 78 | E | 73.1 | Confident | 78.2 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -50.8 | -42.1 | 180 | -170.4 | 173.5 | 177.3 | 0 | 0 | 112.1 | L74 Q80 F143 | L74-E78 PolarHBondContact O-N 3.15Å; L74-E78 VanDerWaalsContact O-N 3.13Å; E78-Q80 PolarHBondContact O-N 2.76Å; E78-F143 HydrophobicContact CB-CD1 3.38Å; E78-F143 HydrophobicContact CB-CE1 3.58Å; E78-F143 HydrophobicContact CB-CG 4.47Å; E78-F143 HydrophobicContact CG-CB 4.1Å; E78-F143 HydrophobicContact CG-CD1 3.35Å; E78-F143 HydrophobicContact CG-CE1 4.04Å; E78-F143 HydrophobicContact CG-CG 4.02Å |
| 79 | K | 65.2 | Low | 78.6 | Confident | 179 Ų | 179 | 61.3 Ų | 61.3 | 78% | 0.778 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.7 | -179.5 | -64.7 | -178.2 | -178 | 178.6 | 0 | 113.2 | V77 | V77-K79 PolarHBondContact O-N 3.18Å; V77-K79 VanDerWaalsContact O-N 3.16Å |
| 80 | Q | 62.2 | Low | 79 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -27.2 | -175.6 | -64.9 | -175.3 | 38.5 | 0 | 0 | 113.3 | E26 V77 E78 | E26-Q80 PolarHBondContact OE1-NE2 3.31Å; E26-Q80 PolarHBondContact OE1-OE1 2.84Å; V77-Q80 PolarHBondContact O-N 3.07Å; E78-Q80 PolarHBondContact O-N 2.76Å |
| 81 | H | 64 | Low | 79.2 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | trans | -139.8 | 110.6 | -176.6 | -67 | -56.6 | 0 | 0 | 0 | 111.5 | V77 V83 | V77-H81 HydrophobicContact CG1-CB 4.35Å; V77-H81 PolarHBondContact O-N 3.37Å; H81-V83 HydrophobicContact CB-CG2 4.25Å; H81-V83 PolarHBondContact O-N 3.42Å | ||
| 82 | P | 60.2 | Low | 79.5 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 85% | 0.851 | 29% | 0.289 | S | S | * | . | trans | -77.4 | 68.9 | 178.2 | 31.9 | -34.2 | 0 | 0 | 0 | 110.8 | ||||
| 83 | V | 63.9 | Low | 79.9 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | trans | -82.8 | 141.2 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | H81 V85 F143 | H81-V83 HydrophobicContact CB-CG2 4.25Å; H81-V83 PolarHBondContact O-N 3.42Å; V83-V85 WeakPolarHBondContact CG1-O 3.35Å; V83-F143 HydrophobicContact CB-CE2 3.97Å; V83-F143 HydrophobicContact CG1-CE2 4.46Å; V83-F143 WeakPolarHBondContact O-CD2 3.36Å; V83-F143 VanDerWaalsContact O-CE2 3.25Å; V83-F143 WeakPolarHBondContact O-CE2 3.49Å | ||
| 84 | R | 69.9 | Low | 80.4 | Confident | 226 Ų | 226 | 56.2 Ų | 56.2 | 85% | 0.853 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -76.1 | -40.8 | 179.2 | -72.2 | -173.7 | 178.3 | -175.9 | -0.7 | 113.1 | ||
| 85 | V | 79.8 | Confident | 80.6 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 39% | 0.394 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 124.9 | 178.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | V83 A140 Y141 T142 | V83-V85 WeakPolarHBondContact CG1-O 3.35Å; V85-A140 HydrophobicContact CG1-CB 4.27Å; V85-Y141 CarbonylContact C-O 3.59Å; V85-Y141 WeakPolarHBondContact CA-O 3.35Å; V85-T142 HydrophobicContact CG2-CG2 4.27Å |
| 86 | L | 86.6 | Confident | 80.9 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.9 | 173.2 | -174.9 | 62.1 | 0 | 0 | 0 | 109.7 | M39 L74 V88 Y141 F143 A161 | M39-L86 HydrophobicContact CE-CD1 3.91Å; M39-L86 HydrophobicContact CE-CD2 3.97Å; M39-L86 HydrophobicContact SD-CD1 4.47Å; M39-L86 HydrophobicContact SD-CD2 3.88Å; L74-L86 HydrophobicContact CD2-CD2 3.27Å; L74-L86 HydrophobicContact CD2-CG 4.28Å; L86-V88 HydrophobicContact CD2-CG2 4.11Å; L86-V88 HydrophobicContact CG-CG2 4Å; L86-Y141 PolarHBondContact N-O 2.93Å; L86-Y141 PolarHBondContact O-N 3.37Å; L86-F143 HydrophobicContact CB-CE2 3.87Å; L86-F143 HydrophobicContact CB-CZ 4.01Å; L86-F143 HydrophobicContact CD2-CZ 4.48Å; L86-A161 HydrophobicContact CD1-CB 4.1Å |
| 87 | K | 91.1 | Very high | 81.2 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.8 | 177 | -62.1 | -177 | 177.1 | -180 | 0 | 109.2 | R138 V139 A160 A161 | K87-R138 VanDerWaalsContact NZ-CZ 3.27Å; K87-V139 WeakPolarHBondContact CA-O 3.37Å; K87-A160 HydrophobicContact CB-CB 4.41Å; K87-A161 WeakPolarHBondContact O-CB 3.25Å; K87-A161 PolarHBondContact O-N 2.96Å; K87-A161 VanDerWaalsContact O-N 3.11Å |
| 88 | V | 93.1 | Very high | 81.9 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.5 | -174.1 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | L37 L74 L86 R138 V139 A161 A163 | L37-V88 HydrophobicContact CD1-CG1 4.01Å; L37-V88 HydrophobicContact CD1-CG2 4.24Å; L74-V88 HydrophobicContact CD2-CG2 3.96Å; L86-V88 HydrophobicContact CD2-CG2 4.11Å; L86-V88 HydrophobicContact CG-CG2 4Å; V88-R138 CarbonylContact O-C 3.47Å; V88-R138 VanDerWaalsContact O-CA 3.27Å; V88-R138 WeakPolarHBondContact O-CA 3.2Å; V88-V139 PolarHBondContact N-O 2.88Å; V88-V139 PolarHBondContact O-N 2.59Å; V88-A161 CarbonylContact C-O 3.59Å; V88-A161 VanDerWaalsContact CA-O 3.25Å; V88-A161 WeakPolarHBondContact CA-O 3.48Å; V88-A161 HydrophobicContact CG2-CB 4.39Å; V88-A163 HydrophobicContact CG1-CB 4.16Å |
| 89 | W | 96.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.2 | 169.6 | -72.3 | 126.4 | 0 | 0 | 0 | 110.4 | V42 F44 L58 C136 R138 E154 K158 A160 A161 | V42-W89 PolarHBondContact O-NE1 3.2Å; V42-W89 VanDerWaalsContact O-NE1 3.1Å; F44-W89 HydrophobicContact CB-CD2 4.32Å; F44-W89 HydrophobicContact CD2-CB 4.4Å; F44-W89 AromaticContact CD2-CD2 3.98Å; F44-W89 HydrophobicContact CD2-CD2 3.98Å; F44-W89 AromaticContact CD2-CE3 3.78Å; F44-W89 HydrophobicContact CD2-CE3 3.78Å; F44-W89 HydrophobicContact CD2-CG 4.27Å; F44-W89 HydrophobicContact CD2-CZ3 4.4Å; L58-W89 HydrophobicContact CD1-CB 4.46Å; L58-W89 HydrophobicContact CD2-CB 4.24Å; W89-C136 HydrophobicContact CE3-CB 4.17Å; W89-C136 HydrophobicContact CH2-CB 4.08Å; W89-C136 HydrophobicContact CZ3-CB 3.6Å; W89-R138 HydrophobicContact CE3-CB 3.88Å; W89-R138 HydrophobicContact CZ3-CB 3.92Å; W89-E154 HydrophobicContact CH2-CB 4.37Å; W89-K158 HydrophobicContact CZ2-CB 4.31Å; W89-K158 VanDerWaalsContact CZ2-O 3.29Å; W89-K158 WeakPolarHBondContact CZ2-O 3.35Å; W89-A160 HydrophobicContact CD2-CB 4.24Å; W89-A160 HydrophobicContact CG-CB 4.14Å; W89-A160 HydrophobicContact CZ2-CB 4.47Å; W89-A161 PolarHBondContact N-O 2.88Å |
| 90 | I | 93.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 158.1 | 167.2 | 58.1 | 166.1 | 0 | 0 | 0 | 109.2 | F44 M59 L61 L92 W111 V137 V139 W151 | F44-I90 VanDerWaalsContact CE2-O 3.26Å; F44-I90 WeakPolarHBondContact CE2-O 3.29Å; M59-I90 CarbonylContact O-C 3.57Å; M59-I90 WeakPolarHBondContact O-CA 3.48Å; L61-I90 HydrophobicContact CD1-CD1 4.33Å; L61-I90 HydrophobicContact CD1-CG2 3.93Å; L61-I90 HydrophobicContact CG-CG2 4.05Å; I90-L92 HydrophobicContact CD1-CB 4.19Å; I90-L92 HydrophobicContact CD1-CD2 4.47Å; I90-L92 HydrophobicContact CG1-CB 4.27Å; I90-L92 PolarHBondContact O-N 3.22Å; I90-W111 HydrophobicContact CD1-CH2 4.27Å; I90-W111 HydrophobicContact CD1-CZ3 4.28Å; I90-V137 HydrophobicContact CD1-CB 4.33Å; I90-V137 HydrophobicContact CD1-CG1 3.89Å; I90-V137 HydrophobicContact CG1-CB 4.14Å; I90-V137 HydrophobicContact CG1-CG1 4.09Å; I90-V137 WeakPolarHBondContact CG1-O 3.48Å; I90-V137 PolarHBondContact N-O 2.77Å; I90-V139 HydrophobicContact CB-CG2 4.43Å; I90-V139 HydrophobicContact CD1-CG2 3.84Å; I90-V139 HydrophobicContact CG1-CG2 4.07Å; I90-V139 HydrophobicContact CG2-CG2 3.55Å; I90-W151 HydrophobicContact CD1-CD2 4.14Å; I90-W151 HydrophobicContact CD1-CG 4.44Å |
| 91 | G | 93.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 34.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | M59 W111 V112 | M59-G91 PolarHBondContact O-N 3.24Å; G91-W111 CarbonylContact O-C 3.58Å; G91-W111 VanDerWaalsContact O-CA 3.29Å; G91-W111 WeakPolarHBondContact O-CA 3.26Å; G91-V112 WeakPolarHBondContact O-CG2 3.42Å; G91-V112 PolarHBondContact O-N 2.75Å |
| 92 | L | 93.4 | Very high | 86 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.7 | -174.3 | -173 | 65.1 | 0 | 0 | 0 | 110.7 | I90 L106 F109 W111 W123 V137 W151 | I90-L92 HydrophobicContact CD1-CB 4.19Å; I90-L92 HydrophobicContact CD1-CD2 4.47Å; I90-L92 HydrophobicContact CG1-CB 4.27Å; I90-L92 PolarHBondContact O-N 3.22Å; L92-L106 HydrophobicContact CD1-CD1 4.14Å; L92-L106 HydrophobicContact CD1-CD2 4.43Å; L92-L106 HydrophobicContact CD2-CD2 4.37Å; L92-F109 HydrophobicContact CD1-CB 3.61Å; L92-F109 HydrophobicContact CD2-CB 4.24Å; L92-F109 HydrophobicContact CG-CB 3.72Å; L92-F109 HydrophobicContact CG-CD1 4.35Å; L92-F109 HydrophobicContact CG-CG 4.4Å; L92-W111 HydrophobicContact CB-CE3 3.9Å; L92-W111 HydrophobicContact CB-CH2 4.2Å; L92-W111 HydrophobicContact CB-CZ3 3.65Å; L92-W111 HydrophobicContact CD1-CD2 4.02Å; L92-W111 HydrophobicContact CD1-CE3 4.1Å; L92-W111 HydrophobicContact CD1-CH2 4.46Å; L92-W111 HydrophobicContact CD1-CZ2 4.4Å; L92-W111 HydrophobicContact CD1-CZ3 4.33Å; L92-W111 HydrophobicContact CD2-CH2 4.3Å; L92-W111 HydrophobicContact CG-CZ3 4.41Å; L92-W123 HydrophobicContact CD2-CH2 4.31Å; L92-W123 HydrophobicContact CD2-CZ2 4.29Å; L92-V137 HydrophobicContact CB-CB 4.02Å; L92-V137 HydrophobicContact CB-CG2 4.04Å; L92-V137 HydrophobicContact CD2-CB 4.23Å; L92-V137 HydrophobicContact CD2-CG1 4.35Å; L92-V137 HydrophobicContact CD2-CG2 3.85Å; L92-V137 HydrophobicContact CG-CB 4.32Å; L92-V137 HydrophobicContact CG-CG2 3.85Å; L92-V137 PolarHBondContact O-N 2.83Å; L92-W151 HydrophobicContact CD2-CE3 3.88Å; L92-W151 HydrophobicContact CD2-CZ3 3.74Å |
| 93 | K | 93.3 | Very high | 87.1 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.1 | -172.9 | -178.5 | 177.8 | 178.9 | -179.4 | 0 | 112 | F44 H45 M95 K110 V112 E134 S135 | F44-K93 HydrophobicContact CE1-CB 4.33Å; F44-K93 HydrophobicContact CE1-CD 3.99Å; F44-K93 HydrophobicContact CZ-CB 4.07Å; H45-K93 PolarHBondContact NE2-NZ 2.79Å; K93-M95 HydrophobicContact CD-SD 3.93Å; K93-M95 HydrophobicContact CG-SD 4.39Å; K93-K110 PolarHBondContact N-O 3.15Å; K93-K110 PolarHBondContact O-N 3.45Å; K93-V112 HydrophobicContact CB-CG1 4.24Å; K93-E134 WeakPolarHBondContact CE-OE1 3.3Å; K93-E134 IonicContact NZ-OE1 2.94Å; K93-E134 PolarHBondContact NZ-OE1 2.78Å; K93-S135 CarbonylContact C-O 3.53Å; K93-S135 WeakPolarHBondContact CA-O 3.49Å |
| 94 | L | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 120.8 | 167.5 | -172.3 | 72.9 | 0 | 0 | 0 | 108.9 | D98 V100 F109 T130 E134 S135 | L94-D98 HydrophobicContact CD1-CB 3.72Å; L94-D98 HydrophobicContact CG-CB 4.44Å; L94-V100 HydrophobicContact CD2-CG2 3.87Å; L94-F109 HydrophobicContact CB-CD1 3.65Å; L94-F109 HydrophobicContact CB-CD2 4.28Å; L94-F109 HydrophobicContact CB-CE1 3.55Å; L94-F109 HydrophobicContact CB-CE2 4.2Å; L94-F109 HydrophobicContact CB-CG 4.02Å; L94-F109 HydrophobicContact CB-CZ 3.83Å; L94-F109 HydrophobicContact CD1-CD2 4.21Å; L94-F109 HydrophobicContact CD1-CE2 4.4Å; L94-F109 HydrophobicContact CD1-CG 4.45Å; L94-F109 HydrophobicContact CD2-CE2 4.33Å; L94-F109 HydrophobicContact CD2-CZ 4.24Å; L94-T130 HydrophobicContact CD2-CG2 3.9Å; L94-E134 WeakPolarHBondContact O-CA 3.21Å; L94-S135 PolarHBondContact N-O 3.23Å; L94-S135 PolarHBondContact O-N 2.81Å |
| 95 | M | 88.7 | Confident | 88.7 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 156 | 177.6 | -61.9 | -70.6 | -78.8 | 0 | 0 | 110.5 | K93 K97 D98 | K93-M95 HydrophobicContact CD-SD 3.93Å; K93-M95 HydrophobicContact CG-SD 4.39Å; M95-K97 PolarHBondContact O-N 2.98Å; M95-D98 WeakPolarHBondContact CB-OD2 3.48Å; M95-D98 WeakPolarHBondContact O-CB 3.35Å; M95-D98 PolarHBondContact O-N 3.15Å |
| 96 | R | 85.8 | Confident | 89.2 | Confident | 181 Ų | 181 | 56.3 Ų | 56.3 | 68% | 0.683 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 133.9 | 168.5 | -67.1 | -175.6 | -179.4 | 177.5 | -1.1 | 108.8 | D98 E134 | R96-D98 VanDerWaalsContact C-N 3.34Å; R96-E134 HydrophobicContact CG-CB 4.34Å |
| 97 | K | 85.6 | Confident | 89.4 | Confident | 191 Ų | 191 | 57.5 Ų | 57.5 | 83% | 0.83 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -13 | -173.9 | -49.7 | 170.5 | 178.9 | -177.5 | 0 | 115.6 | M95 C131 | M95-K97 PolarHBondContact O-N 2.98Å; K97-C131 WeakPolarHBondContact CA-O 3.48Å; K97-C131 PolarHBondContact N-O 3.25Å |
| 98 | D | 88.2 | Confident | 89.3 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 130.6 | 167.1 | -71.3 | -33.5 | 0 | 0 | 0 | 108.5 | L94 M95 R96 K110 | L94-D98 HydrophobicContact CD1-CB 3.72Å; L94-D98 HydrophobicContact CG-CB 4.44Å; M95-D98 WeakPolarHBondContact CB-OD2 3.48Å; M95-D98 WeakPolarHBondContact O-CB 3.35Å; M95-D98 PolarHBondContact O-N 3.15Å; R96-D98 VanDerWaalsContact C-N 3.34Å; D98-K110 IonicContact OD1-NZ 3.27Å; D98-K110 PolarHBondContact OD1-NZ 3.37Å; D98-K110 WeakPolarHBondContact OD2-CE 3.43Å; D98-K110 IonicContact OD2-NZ 2.86Å; D98-K110 PolarHBondContact OD2-NZ 2.91Å |
| 99 | C | 88.7 | Confident | 89.2 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 144.2 | -179 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | L101 T130 C131 | C99-L101 HydrophobicContact CB-CD2 4.4Å; C99-L101 HydrophobicContact CB-CG 4.47Å; C99-L101 PolarHBondContact O-N 3.13Å; C99-T130 WeakPolarHBondContact CA-O 3.3Å; C99-C131 HydrophobicContact CB-CB 4.12Å; C99-C131 WeakPolarHBondContact CB-SG 3.46Å; C99-C131 WeakPolarHBondContact SG-CB 3.08Å; C99-C131 CovalentContact SG-SG 2.04Å; C99-C131 PolarHBondContact SG-SG 2.96Å |
| 100 | V | 90.6 | Very high | 89 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 122.9 | 164.7 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | L94 R107 F109 P127 T130 | L94-V100 HydrophobicContact CD2-CG2 3.87Å; V100-R107 VanDerWaalsContact CA-O 3.28Å; V100-R107 WeakPolarHBondContact CA-O 3.08Å; V100-R107 HydrophobicContact CG1-CB 4.14Å; V100-F109 HydrophobicContact CG2-CE2 4.2Å; V100-P127 HydrophobicContact CG1-CB 4.15Å; V100-T130 HydrophobicContact CG2-CG2 3.77Å; V100-T130 PolarHBondContact N-O 3.38Å |
| 101 | L | 88.6 | Confident | 88.9 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | trans | -127.1 | 106.2 | -176.9 | -65.5 | 176.2 | 0 | 0 | 0 | 109.2 | C99 D103 R104 R107 | C99-L101 HydrophobicContact CB-CD2 4.4Å; C99-L101 HydrophobicContact CB-CG 4.47Å; C99-L101 PolarHBondContact O-N 3.13Å; L101-D103 PolarHBondContact O-N 3.26Å; L101-D103 VanDerWaalsContact O-N 3.16Å; L101-R104 HydrophobicContact CB-CB 4.36Å; L101-R104 HydrophobicContact CB-CG 4.04Å; L101-R104 HydrophobicContact CD1-CG 4.36Å; L101-R104 PolarHBondContact O-N 3.16Å; L101-R104 VanDerWaalsContact O-N 3.08Å; L101-R107 WeakPolarHBondContact O-CA 3.45Å; L101-R107 VanDerWaalsContact O-CD 3.22Å; L101-R107 WeakPolarHBondContact O-CD 3.44Å | ||
| 102 | P | 82.3 | Confident | 88.6 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -35.1 | -175.3 | -28.1 | 35.1 | 0 | 0 | 0 | 114.1 | R104 R107 | P102-R104 PolarHBondContact O-N 2.91Å; P102-R107 PolarHBondContact O-NE 3.35Å; P102-R107 PolarHBondContact O-NH1 3.38Å |
| 103 | D | 84.2 | Confident | 88.1 | Confident | 164 Ų | 164 | 62 Ų | 62 | 88% | 0.877 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3.2 | -176.2 | -56.1 | -44.3 | 0 | 0 | 0 | 114 | L101 | L101-D103 PolarHBondContact O-N 3.26Å; L101-D103 VanDerWaalsContact O-N 3.16Å |
| 104 | R | 84.4 | Confident | 86.7 | Confident | 146 Ų | 146 | 64.2 Ų | 64.2 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -105 | 140.6 | -178.9 | -65.5 | -162.9 | 179.5 | -170.4 | 0.8 | 111.9 | L101 P102 L106 R107 | L101-R104 HydrophobicContact CB-CB 4.36Å; L101-R104 HydrophobicContact CB-CG 4.04Å; L101-R104 HydrophobicContact CD1-CG 4.36Å; L101-R104 PolarHBondContact O-N 3.16Å; L101-R104 VanDerWaalsContact O-N 3.08Å; P102-R104 PolarHBondContact O-N 2.91Å; R104-L106 PolarHBondContact O-N 2.9Å; R104-R107 VanDerWaalsContact O-CD 3.29Å; R104-R107 WeakPolarHBondContact O-CD 3.47Å; R104-R107 PolarHBondContact O-N 3.13Å; R104-R107 PolarHBondContact O-NH1 3.14Å |
| 105 | P | 82.6 | Confident | 85.3 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -47.4 | -177.6 | -28 | 34.1 | 0 | 0 | 0 | 114.9 | S121 | P105-S121 WeakPolarHBondContact O-CB 3.42Å; P105-S121 PolarHBondContact O-OG 2.78Å |
| 106 | L | 89.5 | Confident | 84.2 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.9 | 179.7 | -60.1 | 179.9 | 0 | 0 | 0 | 113.6 | L92 R104 G108 F109 W111 D117 W151 | L92-L106 HydrophobicContact CD1-CD1 4.14Å; L92-L106 HydrophobicContact CD1-CD2 4.43Å; L92-L106 HydrophobicContact CD2-CD2 4.37Å; R104-L106 PolarHBondContact O-N 2.9Å; L106-G108 PolarHBondContact O-N 2.8Å; L106-G108 VanDerWaalsContact O-N 3.11Å; L106-F109 VanDerWaalsContact CB-O 3.3Å; L106-F109 WeakPolarHBondContact CB-O 3.45Å; L106-F109 VanDerWaalsContact O-CB 3.3Å; L106-F109 WeakPolarHBondContact O-CB 3.34Å; L106-F109 VanDerWaalsContact O-CD2 3.29Å; L106-F109 WeakPolarHBondContact O-CD2 3.33Å; L106-F109 PolarHBondContact O-N 3.44Å; L106-W111 HydrophobicContact CD2-CZ2 4.32Å; L106-D117 HydrophobicContact CD1-CB 4.16Å; L106-W151 HydrophobicContact CD2-CZ3 4.06Å |
| 107 | R | 91.1 | Very high | 83.4 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 17% | 0.166 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.5 | 179.9 | -50.4 | -61.7 | -170.7 | -97.6 | -2.2 | 113.5 | V100 L101 P102 R104 F109 E126 P127 | V100-R107 VanDerWaalsContact CA-O 3.28Å; V100-R107 WeakPolarHBondContact CA-O 3.08Å; V100-R107 HydrophobicContact CG1-CB 4.14Å; L101-R107 WeakPolarHBondContact O-CA 3.45Å; L101-R107 VanDerWaalsContact O-CD 3.22Å; L101-R107 WeakPolarHBondContact O-CD 3.44Å; P102-R107 PolarHBondContact O-NE 3.35Å; P102-R107 PolarHBondContact O-NH1 3.38Å; R104-R107 VanDerWaalsContact O-CD 3.29Å; R104-R107 WeakPolarHBondContact O-CD 3.47Å; R104-R107 PolarHBondContact O-N 3.13Å; R104-R107 PolarHBondContact O-NH1 3.14Å; R107-F109 VanDerWaalsContact C-N 3.27Å; R107-F109 HydrophobicContact CB-CD2 4.35Å; R107-F109 PolarHBondContact O-N 2.81Å; R107-E126 WeakPolarHBondContact CD-OE1 3.42Å; R107-E126 IonicContact CZ-OE1 3.66Å; R107-E126 IonicContact CZ-OE2 3.17Å; R107-E126 IonicContact NE-OE1 3.65Å; R107-E126 PolarHBondContact NE-OE1 3.37Å; R107-E126 IonicContact NE-OE2 3.92Å; R107-E126 PolarHBondContact NE-OE2 3.05Å; R107-E126 IonicContact NH2-OE1 2.78Å; R107-E126 IonicContact NH2-OE2 2.86Å; R107-E126 PolarHBondContact NH2-OE2 3.47Å; R107-P127 HydrophobicContact CG-CG 4.39Å |
| 108 | G | 88.6 | Confident | 83.2 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -5.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L106 | L106-G108 PolarHBondContact O-N 2.8Å; L106-G108 VanDerWaalsContact O-N 3.11Å |
| 109 | F | 91.8 | Very high | 83 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | trans | -70 | 148.6 | 168.6 | -68 | -111.9 | 0 | 0 | 0 | 110.4 | L92 L94 V100 L106 R107 W123 P127 V137 P153 | L92-F109 HydrophobicContact CD1-CB 3.61Å; L92-F109 HydrophobicContact CD2-CB 4.24Å; L92-F109 HydrophobicContact CG-CB 3.72Å; L92-F109 HydrophobicContact CG-CD1 4.35Å; L92-F109 HydrophobicContact CG-CG 4.4Å; L94-F109 HydrophobicContact CB-CD1 3.65Å; L94-F109 HydrophobicContact CB-CD2 4.28Å; L94-F109 HydrophobicContact CB-CE1 3.55Å; L94-F109 HydrophobicContact CB-CE2 4.2Å; L94-F109 HydrophobicContact CB-CG 4.02Å; L94-F109 HydrophobicContact CB-CZ 3.83Å; L94-F109 HydrophobicContact CD1-CD2 4.21Å; L94-F109 HydrophobicContact CD1-CE2 4.4Å; L94-F109 HydrophobicContact CD1-CG 4.45Å; L94-F109 HydrophobicContact CD2-CE2 4.33Å; L94-F109 HydrophobicContact CD2-CZ 4.24Å; V100-F109 HydrophobicContact CG2-CE2 4.2Å; L106-F109 VanDerWaalsContact CB-O 3.3Å; L106-F109 WeakPolarHBondContact CB-O 3.45Å; L106-F109 VanDerWaalsContact O-CB 3.3Å; L106-F109 WeakPolarHBondContact O-CB 3.34Å; L106-F109 VanDerWaalsContact O-CD2 3.29Å; L106-F109 WeakPolarHBondContact O-CD2 3.33Å; L106-F109 PolarHBondContact O-N 3.44Å; R107-F109 VanDerWaalsContact C-N 3.27Å; R107-F109 HydrophobicContact CB-CD2 4.35Å; R107-F109 PolarHBondContact O-N 2.81Å; F109-W123 HydrophobicContact CD1-CH2 4.13Å; F109-W123 AromaticContact CD2-CH2 3.75Å; F109-W123 HydrophobicContact CD2-CH2 3.75Å; F109-W123 AromaticContact CD2-CZ2 3.92Å; F109-W123 HydrophobicContact CD2-CZ2 3.92Å; F109-W123 HydrophobicContact CE1-CH2 4.13Å; F109-W123 AromaticContact CE2-CH2 3.75Å; F109-W123 HydrophobicContact CE2-CH2 3.75Å; F109-W123 HydrophobicContact CE2-CZ2 4.23Å; F109-W123 AromaticContact CG-CH2 3.96Å; F109-W123 HydrophobicContact CG-CH2 3.96Å; F109-W123 HydrophobicContact CG-CZ2 4.28Å; F109-W123 AromaticContact CZ-CH2 3.96Å; F109-W123 HydrophobicContact CZ-CH2 3.96Å; F109-P127 HydrophobicContact CE2-CB 4.26Å; F109-P127 HydrophobicContact CE2-CG 4.35Å; F109-V137 HydrophobicContact CD1-CG2 3.47Å; F109-V137 VanDerWaalsContact CD1-CG2 3.47Å; F109-V137 HydrophobicContact CE1-CG2 3.54Å; F109-V137 HydrophobicContact CG-CG2 4.38Å; F109-V137 HydrophobicContact CZ-CG2 4.48Å; F109-P153 HydrophobicContact CE1-CB 4.32Å; F109-P153 HydrophobicContact CZ-CB 3.89Å | ||
| 110 | K | 91.3 | Very high | 82.9 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.8 | -177.5 | -66.1 | 174 | -174.2 | 151.7 | 0 | 111.6 | K93 D98 | K93-K110 PolarHBondContact N-O 3.15Å; K93-K110 PolarHBondContact O-N 3.45Å; D98-K110 IonicContact OD1-NZ 3.27Å; D98-K110 PolarHBondContact OD1-NZ 3.37Å; D98-K110 WeakPolarHBondContact OD2-CE 3.43Å; D98-K110 IonicContact OD2-NZ 2.86Å; D98-K110 PolarHBondContact OD2-NZ 2.91Å |
| 111 | W | 91.3 | Very high | 82.8 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 4% | 0.038 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.9 | 174.4 | -65 | 112.5 | 0 | 0 | 0 | 111 | T60 L61 R62 I90 G91 L92 L106 S113 G114 S118 W151 | T60-W111 HydrophobicContact CG2-CD2 4.02Å; T60-W111 HydrophobicContact CG2-CE3 3.58Å; T60-W111 HydrophobicContact CG2-CG 4.43Å; T60-W111 HydrophobicContact CG2-CZ3 4.15Å; L61-W111 HydrophobicContact CB-CH2 4.2Å; L61-W111 VanDerWaalsContact N-CH2 3.26Å; L61-W111 WeakPolarHBondContact O-CZ2 3.49Å; R62-W111 HydrophobicContact CG-CZ2 4.2Å; I90-W111 HydrophobicContact CD1-CH2 4.27Å; I90-W111 HydrophobicContact CD1-CZ3 4.28Å; G91-W111 CarbonylContact O-C 3.58Å; G91-W111 VanDerWaalsContact O-CA 3.29Å; G91-W111 WeakPolarHBondContact O-CA 3.26Å; L92-W111 HydrophobicContact CB-CE3 3.9Å; L92-W111 HydrophobicContact CB-CH2 4.2Å; L92-W111 HydrophobicContact CB-CZ3 3.65Å; L92-W111 HydrophobicContact CD1-CD2 4.02Å; L92-W111 HydrophobicContact CD1-CE3 4.1Å; L92-W111 HydrophobicContact CD1-CH2 4.46Å; L92-W111 HydrophobicContact CD1-CZ2 4.4Å; L92-W111 HydrophobicContact CD1-CZ3 4.33Å; L92-W111 HydrophobicContact CD2-CH2 4.3Å; L92-W111 HydrophobicContact CG-CZ3 4.41Å; L106-W111 HydrophobicContact CD2-CZ2 4.32Å; W111-S113 PolarHBondContact O-N 3.18Å; W111-G114 PolarHBondContact O-N 2.94Å; W111-G114 VanDerWaalsContact O-N 3.15Å; W111-S118 PolarHBondContact NE1-OG 2.91Å; W111-W151 HydrophobicContact CH2-CH2 4.11Å; W111-W151 HydrophobicContact CZ2-CH2 4.2Å |
| 112 | V | 88.8 | Confident | 82.9 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | F44 Q48 L58 G91 K93 G114 | F44-V112 HydrophobicContact CE1-CG1 3.97Å; F44-V112 HydrophobicContact CZ-CG1 3.74Å; Q48-V112 HydrophobicContact CG-CG2 4.45Å; L58-V112 HydrophobicContact CB-CG2 4.16Å; G91-V112 WeakPolarHBondContact O-CG2 3.42Å; G91-V112 PolarHBondContact O-N 2.75Å; K93-V112 HydrophobicContact CB-CG1 4.24Å; V112-G114 VanDerWaalsContact C-N 3.32Å |
| 113 | S | 81.3 | Confident | 83.3 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.9 | 174 | 52.5 | 0 | 0 | 0 | 0 | 114 | T60 R62 W111 N115 | T60-S113 WeakPolarHBondContact CG2-OG 3.46Å; R62-S113 PolarHBondContact NH2-OG 3.25Å; W111-S113 PolarHBondContact O-N 3.18Å; S113-N115 PolarHBondContact O-N 2.8Å |
| 114 | G | 65.2 | Low | 83.5 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | trans | 79.6 | 10 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | W111 V112 | W111-G114 PolarHBondContact O-N 2.94Å; W111-G114 VanDerWaalsContact O-N 3.15Å; V112-G114 VanDerWaalsContact C-N 3.32Å | ||
| 115 | N | 62.9 | Low | 83.8 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | -95.9 | 171.3 | 175.9 | -47 | -34.1 | 0 | 0 | 0 | 111.9 | R62 S113 | R62-N115 PolarHBondContact NH1-ND2 3.22Å; R62-N115 PolarHBondContact NH2-ND2 2.79Å; S113-N115 PolarHBondContact O-N 2.8Å | ||
| 116 | E | 66.2 | Low | 84.1 | Confident | 181 Ų | 181 | 63.9 Ų | 63.9 | 85% | 0.846 | 33% | 0.331 | S | S | * | . | trans | -44.1 | 141.6 | 176.6 | -63.6 | -178.8 | 171 | 0 | 0 | 113.9 | ||||
| 117 | D | 69.3 | Low | 84.1 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | trans | -62.9 | 136.6 | -179.1 | -71.9 | -24.8 | 0 | 0 | 0 | 111 | L106 | L106-D117 HydrophobicContact CD1-CB 4.16Š| ||
| 118 | S | 80.2 | Confident | 83.9 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | trans | -82.4 | 144.3 | 174.3 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | R62 W111 Y120 | R62-S118 WeakPolarHBondContact O-CB 3.43Å; W111-S118 PolarHBondContact NE1-OG 2.91Å; S118-Y120 PolarHBondContact O-N 2.85Å | ||
| 119 | Q | 83.4 | Confident | 83.8 | Confident | 181 Ų | 181 | 71.4 Ų | 71.4 | 85% | 0.846 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -75.9 | -10.4 | 171.5 | -64 | -172.8 | 3.8 | 0 | 0 | 113.2 | ||
| 120 | Y | 87.8 | Confident | 83.6 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 17% | 0.173 | 38% | 0.384 | C | S | . | . | trans | -84.8 | 134 | -179.9 | -174.8 | -108.4 | 0 | 0 | 0 | 112 | R62 R64 E67 S118 W151 | R62-Y120 WeakPolarHBondContact O-CB 3.45Å; R64-Y120 HydrophobicContact CG-CE2 3.85Å; E67-Y120 PolarHBondContact OE1-OH 2.76Å; E67-Y120 PolarHBondContact OE2-OH 2.87Å; S118-Y120 PolarHBondContact O-N 2.85Å; Y120-W151 HydrophobicContact CD1-CH2 4.21Å; Y120-W151 HydrophobicContact CD1-CZ2 4.05Å; Y120-W151 AromaticContact CE1-CZ2 3.96Å; Y120-W151 HydrophobicContact CE1-CZ2 3.96Å | ||
| 121 | S | 88.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | trans | -148.8 | 152.5 | 169.9 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | P105 | P105-S121 WeakPolarHBondContact O-CB 3.42Å; P105-S121 PolarHBondContact O-OG 2.78Å | ||
| 122 | N | 90.1 | Very high | 83.2 | Confident | 26 Ų | 26 | 76.9 Ų | 76.9 | 14% | 0.139 | 42% | 0.415 | C | S | . | . | trans | -141.3 | 52.1 | -178.7 | -160.4 | 1.7 | 0 | 0 | 0 | 112 | E67 M149 K150 W151 | E67-N122 PolarHBondContact OE2-ND2 3.23Å; N122-M149 VanDerWaalsContact CG-O 3.29Å; N122-M149 PolarHBondContact ND2-O 3.33Å; N122-K150 PolarHBondContact OD1-NZ 3.36Å; N122-W151 HydrophobicContact CB-CD2 4.35Å; N122-W151 HydrophobicContact CB-CG 4.42Å; N122-W151 HydrophobicContact CB-CZ2 4.43Å; N122-W151 PolarHBondContact O-N 2.88Å | ||
| 123 | W | 90.6 | Very high | 83 | Confident | 27 Ų | 27 | 78 Ų | 78 | 10% | 0.102 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 136.6 | -179.7 | -61.2 | 104.9 | 0 | 0 | 0 | 112.4 | L92 F109 P127 V137 W151 P153 | L92-W123 HydrophobicContact CD2-CH2 4.31Å; L92-W123 HydrophobicContact CD2-CZ2 4.29Å; F109-W123 HydrophobicContact CD1-CH2 4.13Å; F109-W123 AromaticContact CD2-CH2 3.75Å; F109-W123 HydrophobicContact CD2-CH2 3.75Å; F109-W123 AromaticContact CD2-CZ2 3.92Å; F109-W123 HydrophobicContact CD2-CZ2 3.92Å; F109-W123 HydrophobicContact CE1-CH2 4.13Å; F109-W123 AromaticContact CE2-CH2 3.75Å; F109-W123 HydrophobicContact CE2-CH2 3.75Å; F109-W123 HydrophobicContact CE2-CZ2 4.23Å; F109-W123 AromaticContact CG-CH2 3.96Å; F109-W123 HydrophobicContact CG-CH2 3.96Å; F109-W123 HydrophobicContact CG-CZ2 4.28Å; F109-W123 AromaticContact CZ-CH2 3.96Å; F109-W123 HydrophobicContact CZ-CH2 3.96Å; W123-P127 HydrophobicContact CD2-CG 3.81Å; W123-P127 HydrophobicContact CE3-CG 3.67Å; W123-P127 HydrophobicContact CG-CG 4.49Å; W123-P127 HydrophobicContact CH2-CG 4Å; W123-P127 HydrophobicContact CZ2-CG 4.15Å; W123-P127 HydrophobicContact CZ3-CG 3.77Å; W123-V137 HydrophobicContact CH2-CG1 4.41Å; W123-V137 HydrophobicContact CH2-CG2 3.65Å; W123-V137 HydrophobicContact CZ3-CG1 4.08Å; W123-V137 HydrophobicContact CZ3-CG2 3.91Å; W123-W151 HydrophobicContact CD2-CB 4.38Å; W123-W151 HydrophobicContact CD2-CE3 4.49Å; W123-W151 HydrophobicContact CE3-CB 3.94Å; W123-W151 HydrophobicContact CZ3-CB 4.39Å; W123-P153 HydrophobicContact CZ3-CB 4.36Å; W123-P153 HydrophobicContact CZ3-CG 4.44Å |
| 124 | E | 89.2 | Confident | 83.5 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 47% | 0.467 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -67.7 | -46.6 | 172.2 | -162.4 | 176.6 | 164.7 | 0 | 0 | 110.9 | K150 W151 T152 | E124-K150 HydrophobicContact CB-CB 3.64Å; E124-K150 HydrophobicContact CB-CG 4.41Å; E124-K150 HydrophobicContact CG-CB 3.77Å; E124-K150 HydrophobicContact CG-CG 4.23Å; E124-W151 PolarHBondContact N-O 3.47Å; E124-T152 HydrophobicContact CB-CG2 3.77Å; E124-T152 HydrophobicContact CG-CG2 4.48Å; E124-T152 WeakPolarHBondContact OE2-CG2 3.21Å |
| 125 | Q | 89.4 | Confident | 84.9 | Confident | 147 Ų | 147 | 78.2 Ų | 78.2 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -141.8 | 151.8 | 177.7 | -63.2 | 179.5 | 21.6 | 0 | 0 | 107.5 | P127 | Q125-P127 WeakPolarHBondContact O-CD 3.41Š|
| 126 | E | 89 | Confident | 86.4 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 125 | 178.4 | -166.5 | 56.9 | -131.3 | 0 | 0 | 109.7 | R107 | R107-E126 WeakPolarHBondContact CD-OE1 3.42Å; R107-E126 IonicContact CZ-OE1 3.66Å; R107-E126 IonicContact CZ-OE2 3.17Å; R107-E126 IonicContact NE-OE1 3.65Å; R107-E126 PolarHBondContact NE-OE1 3.37Å; R107-E126 IonicContact NE-OE2 3.92Å; R107-E126 PolarHBondContact NE-OE2 3.05Å; R107-E126 IonicContact NH2-OE1 2.78Å; R107-E126 IonicContact NH2-OE2 2.86Å; R107-E126 PolarHBondContact NH2-OE2 3.47Å |
| 127 | P | 89.1 | Confident | 87.8 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.032 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 141.2 | 177.2 | -25.9 | 35.6 | 0 | 0 | 0 | 111.1 | V100 R107 F109 W123 Q125 P153 | V100-P127 HydrophobicContact CG1-CB 4.15Å; R107-P127 HydrophobicContact CG-CG 4.39Å; F109-P127 HydrophobicContact CE2-CB 4.26Å; F109-P127 HydrophobicContact CE2-CG 4.35Å; W123-P127 HydrophobicContact CD2-CG 3.81Å; W123-P127 HydrophobicContact CE3-CG 3.67Å; W123-P127 HydrophobicContact CG-CG 4.49Å; W123-P127 HydrophobicContact CH2-CG 4Å; W123-P127 HydrophobicContact CZ2-CG 4.15Å; W123-P127 HydrophobicContact CZ3-CG 3.77Å; Q125-P127 WeakPolarHBondContact O-CD 3.41Å; P127-P153 HydrophobicContact CB-CG 4.15Å; P127-P153 HydrophobicContact CG-CG 4.39Å |
| 128 | P | 86.9 | Confident | 89 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 59% | 0.591 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 141.8 | 179.2 | 27.8 | -34.1 | 0 | 0 | 0 | 110.7 | T130 | P128-T130 WeakPolarHBondContact O-CG2 3.36Å; P128-T130 PolarHBondContact O-N 3.27Å; P128-T130 VanDerWaalsContact O-N 3.14Å |
| 129 | D | 87.6 | Confident | 89.6 | Confident | 126 Ų | 126 | 61.8 Ų | 61.8 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -59 | 117.2 | 176.6 | -68.9 | -28.8 | 0 | 0 | 0 | 110.9 | ||
| 130 | T | 87.8 | Confident | 89.9 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | trans | -156.5 | 146.3 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 111 | L94 C99 V100 P128 T133 | L94-T130 HydrophobicContact CD2-CG2 3.9Å; C99-T130 WeakPolarHBondContact CA-O 3.3Å; V100-T130 HydrophobicContact CG2-CG2 3.77Å; V100-T130 PolarHBondContact N-O 3.38Å; P128-T130 WeakPolarHBondContact O-CG2 3.36Å; P128-T130 PolarHBondContact O-N 3.27Å; P128-T130 VanDerWaalsContact O-N 3.14Å; T130-T133 WeakPolarHBondContact CB-OG1 3.01Å; T130-T133 WeakPolarHBondContact CG2-OG1 3.17Å; T130-T133 PolarHBondContact OG1-N 2.84Å; T130-T133 PolarHBondContact OG1-OG1 2.86Å | ||
| 131 | C | 87.9 | Confident | 89.8 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -126.4 | -4.7 | 173.5 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | K97 C99 | K97-C131 WeakPolarHBondContact CA-O 3.48Å; K97-C131 PolarHBondContact N-O 3.25Å; C99-C131 HydrophobicContact CB-CB 4.12Å; C99-C131 WeakPolarHBondContact CB-SG 3.46Å; C99-C131 WeakPolarHBondContact SG-CB 3.08Å; C99-C131 CovalentContact SG-SG 2.04Å; C99-C131 PolarHBondContact SG-SG 2.96Å |
| 132 | I | 84.9 | Confident | 89.3 | Confident | 142 Ų | 142 | 51.8 Ų | 51.8 | 73% | 0.728 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -113.2 | -18.7 | -169.4 | 60.9 | 170.8 | 0 | 0 | 0 | 112.7 | ||
| 133 | T | 85.3 | Confident | 88.5 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | trans | -93.3 | 137.6 | -176.9 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | T130 | T130-T133 WeakPolarHBondContact CB-OG1 3.01Å; T130-T133 WeakPolarHBondContact CG2-OG1 3.17Å; T130-T133 PolarHBondContact OG1-N 2.84Å; T130-T133 PolarHBondContact OG1-OG1 2.86Å | ||
| 134 | E | 92.3 | Very high | 87.3 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | trans | -83.5 | 131.7 | 164.9 | -177.4 | -178 | -142.2 | 0 | 0 | 108.8 | H45 K93 L94 R96 | H45-E134 IonicContact CE1-OE1 2.68Å; H45-E134 IonicContact NE2-OE1 3.97Å; K93-E134 WeakPolarHBondContact CE-OE1 3.3Å; K93-E134 IonicContact NZ-OE1 2.94Å; K93-E134 PolarHBondContact NZ-OE1 2.78Å; L94-E134 WeakPolarHBondContact O-CA 3.21Å; R96-E134 HydrophobicContact CG-CB 4.34Å | ||
| 135 | S | 94.2 | Very high | 86.2 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.6 | 179.6 | -70 | 0 | 0 | 0 | 0 | 110.9 | K93 L94 C156 | K93-S135 CarbonylContact C-O 3.53Å; K93-S135 WeakPolarHBondContact CA-O 3.49Å; L94-S135 PolarHBondContact N-O 3.23Å; L94-S135 PolarHBondContact O-N 2.81Å; S135-C156 VanDerWaalsContact C-SG 3.55Å |
| 136 | C | 95.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.1 | 179.6 | -69.5 | 0 | 0 | 0 | 0 | 109 | F44 W89 E154 C156 | F44-C136 HydrophobicContact CB-CB 4.1Å; F44-C136 HydrophobicContact CD1-CB 4.47Å; F44-C136 WeakPolarHBondContact CD1-SG 3.27Å; F44-C136 HydrophobicContact CD2-CB 3.49Å; F44-C136 VanDerWaalsContact CD2-CB 3.49Å; F44-C136 VanDerWaalsContact CD2-SG 3.59Å; F44-C136 HydrophobicContact CE2-CB 3.9Å; F44-C136 HydrophobicContact CG-CB 3.79Å; F44-C136 WeakPolarHBondContact CG-SG 3.4Å; W89-C136 HydrophobicContact CE3-CB 4.17Å; W89-C136 HydrophobicContact CH2-CB 4.08Å; W89-C136 HydrophobicContact CZ3-CB 3.6Å; C136-E154 PolarHBondContact N-O 3.29Å; C136-E154 PolarHBondContact O-N 3.36Å; C136-E154 VanDerWaalsContact O-O 3.12Å; C136-C156 HydrophobicContact CB-CB 3.93Å; C136-C156 WeakPolarHBondContact CB-SG 3.33Å; C136-C156 PolarHBondContact N-SG 3.27Å; C136-C156 VanDerWaalsContact N-SG 3.37Å; C136-C156 WeakPolarHBondContact SG-CB 3.39Å; C136-C156 CovalentContact SG-SG 2.03Å; C136-C156 PolarHBondContact SG-SG 3.33Å |
| 137 | V | 95.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 111 | I90 L92 F109 W123 W151 | I90-V137 HydrophobicContact CD1-CB 4.33Å; I90-V137 HydrophobicContact CD1-CG1 3.89Å; I90-V137 HydrophobicContact CG1-CB 4.14Å; I90-V137 HydrophobicContact CG1-CG1 4.09Å; I90-V137 WeakPolarHBondContact CG1-O 3.48Å; I90-V137 PolarHBondContact N-O 2.77Å; L92-V137 HydrophobicContact CB-CB 4.02Å; L92-V137 HydrophobicContact CB-CG2 4.04Å; L92-V137 HydrophobicContact CD2-CB 4.23Å; L92-V137 HydrophobicContact CD2-CG1 4.35Å; L92-V137 HydrophobicContact CD2-CG2 3.85Å; L92-V137 HydrophobicContact CG-CB 4.32Å; L92-V137 HydrophobicContact CG-CG2 3.85Å; L92-V137 PolarHBondContact O-N 2.83Å; F109-V137 HydrophobicContact CD1-CG2 3.47Å; F109-V137 VanDerWaalsContact CD1-CG2 3.47Å; F109-V137 HydrophobicContact CE1-CG2 3.54Å; F109-V137 HydrophobicContact CG-CG2 4.38Å; F109-V137 HydrophobicContact CZ-CG2 4.48Å; W123-V137 HydrophobicContact CH2-CG1 4.41Å; W123-V137 HydrophobicContact CH2-CG2 3.65Å; W123-V137 HydrophobicContact CZ3-CG1 4.08Å; W123-V137 HydrophobicContact CZ3-CG2 3.91Å; V137-W151 HydrophobicContact CG1-CB 3.78Å; V137-W151 HydrophobicContact CG1-CG 4.33Å |
| 138 | R | 94.3 | Very high | 82.4 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 151.2 | 169.9 | 68.9 | -177.6 | -173.4 | -169.4 | -12.6 | 110.1 | K87 V88 W89 W151 T152 E154 | K87-R138 VanDerWaalsContact NZ-CZ 3.27Å; V88-R138 CarbonylContact O-C 3.47Å; V88-R138 VanDerWaalsContact O-CA 3.27Å; V88-R138 WeakPolarHBondContact O-CA 3.2Å; W89-R138 HydrophobicContact CE3-CB 3.88Å; W89-R138 HydrophobicContact CZ3-CB 3.92Å; R138-W151 WeakPolarHBondContact O-CA 3.31Å; R138-T152 WeakPolarHBondContact CG-OG1 3.4Å; R138-T152 PolarHBondContact N-O 3.41Å; R138-T152 PolarHBondContact NE-OG1 3.4Å; R138-T152 PolarHBondContact O-N 2.86Å; R138-T152 PolarHBondContact O-OG1 3.05Å; R138-E154 WeakPolarHBondContact CD-OE2 3.18Å; R138-E154 IonicContact CZ-OE1 3.82Å; R138-E154 IonicContact CZ-OE2 3Å; R138-E154 IonicContact NE-OE1 2.89Å; R138-E154 IonicContact NE-OE2 3.94Å; R138-E154 PolarHBondContact NE-OE2 2.87Å; R138-E154 IonicContact NH1-OE1 3.37Å; R138-E154 PolarHBondContact NH1-OE1 3.14Å; R138-E154 IonicContact NH1-OE2 2.79Å; R138-E154 PolarHBondContact NH1-OE2 3.26Å; R138-E154 VanDerWaalsContact NH2-CD 3.34Å; R138-E154 IonicContact NH2-OE1 4Å; R138-E154 PolarHBondContact NH2-OE1 3.48Å; R138-E154 IonicContact NH2-OE2 2.9Å |
| 139 | V | 93.1 | Very high | 82.3 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.5 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | L61 K87 V88 I90 M149 K150 W151 | L61-V139 HydrophobicContact CD1-CG2 3.73Å; K87-V139 WeakPolarHBondContact CA-O 3.37Å; V88-V139 PolarHBondContact N-O 2.88Å; V88-V139 PolarHBondContact O-N 2.59Å; I90-V139 HydrophobicContact CB-CG2 4.43Å; I90-V139 HydrophobicContact CD1-CG2 3.84Å; I90-V139 HydrophobicContact CG1-CG2 4.07Å; I90-V139 HydrophobicContact CG2-CG2 3.55Å; V139-M149 HydrophobicContact CG1-CB 3.89Å; V139-M149 HydrophobicContact CG1-CG 4.17Å; V139-M149 HydrophobicContact CG1-SD 4.4Å; V139-K150 WeakPolarHBondContact CA-O 3.44Å; V139-W151 HydrophobicContact CG2-CG 4.38Å |
| 140 | A | 89.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V85 Q148 K150 | V85-A140 HydrophobicContact CG1-CB 4.27Å; A140-Q148 VanDerWaalsContact O-O 3.06Å; A140-K150 PolarHBondContact N-O 2.83Å; A140-K150 PolarHBondContact O-N 2.63Å |
| 141 | Y | 84.9 | Confident | 82.6 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.4 | 173.9 | -178 | -104.6 | 0 | 0 | 0 | 109.5 | R71 L74 V85 L86 F143 M149 | R71-Y141 HydrophobicContact CG-CE2 3.98Å; L74-Y141 HydrophobicContact CB-CD1 3.82Å; L74-Y141 HydrophobicContact CB-CE1 3.83Å; L74-Y141 HydrophobicContact CB-CG 4.27Å; L74-Y141 HydrophobicContact CD1-CD1 4.05Å; L74-Y141 HydrophobicContact CD1-CD2 4.05Å; L74-Y141 HydrophobicContact CD1-CG 3.68Å; L74-Y141 HydrophobicContact CG-CD1 4.4Å; L74-Y141 HydrophobicContact CG-CG 4.5Å; V85-Y141 CarbonylContact C-O 3.59Å; V85-Y141 WeakPolarHBondContact CA-O 3.35Å; L86-Y141 PolarHBondContact N-O 2.93Å; L86-Y141 PolarHBondContact O-N 3.37Å; Y141-F143 AromaticContact CD1-CD1 3.96Å; Y141-F143 HydrophobicContact CD1-CD1 3.96Å; Y141-F143 HydrophobicContact CD1-CD2 4.44Å; Y141-F143 AromaticContact CD1-CE1 3.92Å; Y141-F143 HydrophobicContact CD1-CE1 3.92Å; Y141-F143 HydrophobicContact CD1-CE2 4.42Å; Y141-F143 HydrophobicContact CD1-CG 4.27Å; Y141-F143 HydrophobicContact CD1-CZ 4.18Å; Y141-F143 AromaticContact CE1-CD1 3.52Å; Y141-F143 HydrophobicContact CE1-CD1 3.52Å; Y141-F143 AromaticContact CE1-CE1 3.76Å; Y141-F143 HydrophobicContact CE1-CE1 3.76Å; Y141-F143 HydrophobicContact CE1-CG 4.09Å; Y141-F143 HydrophobicContact CE1-CZ 4.47Å; Y141-M149 HydrophobicContact CD2-CE 3.54Å; Y141-M149 HydrophobicContact CD2-CG 3.94Å; Y141-M149 HydrophobicContact CE2-CE 3.82Å; Y141-M149 HydrophobicContact CG-CE 4.4Å |
| 142 | T | 79.5 | Confident | 82.8 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.5 | 179.2 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | V85 S144 D145 | V85-T142 HydrophobicContact CG2-CG2 4.27Å; T142-S144 WeakPolarHBondContact CG2-OG 3.41Å; T142-S144 PolarHBondContact O-N 2.89Å; T142-D145 PolarHBondContact O-N 2.92Å; T142-D145 VanDerWaalsContact O-O 3.12Å |
| 143 | F | 72.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.6 | -172 | -66 | -86.3 | 0 | 0 | 0 | 113.8 | E78 V83 L86 Y141 | E78-F143 HydrophobicContact CB-CD1 3.38Å; E78-F143 HydrophobicContact CB-CE1 3.58Å; E78-F143 HydrophobicContact CB-CG 4.47Å; E78-F143 HydrophobicContact CG-CB 4.1Å; E78-F143 HydrophobicContact CG-CD1 3.35Å; E78-F143 HydrophobicContact CG-CE1 4.04Å; E78-F143 HydrophobicContact CG-CG 4.02Å; V83-F143 HydrophobicContact CB-CE2 3.97Å; V83-F143 HydrophobicContact CG1-CE2 4.46Å; V83-F143 WeakPolarHBondContact O-CD2 3.36Å; V83-F143 VanDerWaalsContact O-CE2 3.25Å; V83-F143 WeakPolarHBondContact O-CE2 3.49Å; L86-F143 HydrophobicContact CB-CE2 3.87Å; L86-F143 HydrophobicContact CB-CZ 4.01Å; L86-F143 HydrophobicContact CD2-CZ 4.48Å; Y141-F143 AromaticContact CD1-CD1 3.96Å; Y141-F143 HydrophobicContact CD1-CD1 3.96Å; Y141-F143 HydrophobicContact CD1-CD2 4.44Å; Y141-F143 AromaticContact CD1-CE1 3.92Å; Y141-F143 HydrophobicContact CD1-CE1 3.92Å; Y141-F143 HydrophobicContact CD1-CE2 4.42Å; Y141-F143 HydrophobicContact CD1-CG 4.27Å; Y141-F143 HydrophobicContact CD1-CZ 4.18Å; Y141-F143 AromaticContact CE1-CD1 3.52Å; Y141-F143 HydrophobicContact CE1-CD1 3.52Å; Y141-F143 AromaticContact CE1-CE1 3.76Å; Y141-F143 HydrophobicContact CE1-CE1 3.76Å; Y141-F143 HydrophobicContact CE1-CG 4.09Å; Y141-F143 HydrophobicContact CE1-CZ 4.47Å |
| 144 | S | 65.8 | Low | 83.6 | Confident | 114 Ų | 114 | 42.1 Ų | 42.1 | 80% | 0.797 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.1 | 178.4 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | T142 | T142-S144 WeakPolarHBondContact CG2-OG 3.41Å; T142-S144 PolarHBondContact O-N 2.89Å |
| 145 | D | 65.9 | Low | 83.7 | Confident | 61 Ų | 61 | 40.6 Ų | 40.6 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | trans | -129.8 | 94.8 | -177.5 | -169.2 | -7.2 | 0 | 0 | 0 | 108.9 | T142 D147 Q148 | T142-D145 PolarHBondContact O-N 2.92Å; T142-D145 VanDerWaalsContact O-O 3.12Å; D145-D147 PolarHBondContact O-N 3.1Å; D145-Q148 PolarHBondContact O-N 3.22Å; D145-Q148 VanDerWaalsContact OD2-CD 3.3Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.09Å; D145-Q148 PolarHBondContact OD2-NE2 3.43Å | ||
| 146 | Q | 58.5 | Low | 83.8 | Confident | 141 Ų | 141 | 39.9 Ų | 39.9 | 66% | 0.659 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -7.8 | -171.3 | -71.7 | -169.9 | -22.5 | 0 | 0 | 113.8 | R71 | R71-Q146 PolarHBondContact NH1-O 3.26Š|
| 147 | D | 59.8 | Low | 83.8 | Confident | 133 Ų | 133 | 50.9 Ų | 50.9 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -1 | -174.3 | -80.3 | -26.1 | 0 | 0 | 0 | 115.5 | D145 | D145-D147 PolarHBondContact O-N 3.1Š|
| 148 | Q | 69.5 | Low | 83.8 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | trans | -108.9 | 81 | -174.9 | -61.4 | -164.6 | 25.2 | 0 | 0 | 113.5 | A140 D145 K150 | A140-Q148 VanDerWaalsContact O-O 3.06Å; D145-Q148 PolarHBondContact O-N 3.22Å; D145-Q148 VanDerWaalsContact OD2-CD 3.3Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.09Å; D145-Q148 PolarHBondContact OD2-NE2 3.43Å; Q148-K150 HydrophobicContact CB-CG 4.36Å | ||
| 149 | M | 84.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 87.9 | 159.4 | -78 | -158.5 | 177.7 | 0 | 0 | 110 | E67 L70 R71 L74 N122 V139 Y141 | E67-M149 HydrophobicContact CG-CB 4.11Å; E67-M149 HydrophobicContact CG-CG 4.28Å; E67-M149 HydrophobicContact CG-SD 3.42Å; E67-M149 WeakPolarHBondContact CG-SD 3.19Å; L70-M149 HydrophobicContact CB-CE 4.35Å; L70-M149 HydrophobicContact CB-SD 4.48Å; L70-M149 HydrophobicContact CD2-SD 4.21Å; L70-M149 HydrophobicContact CG-CE 4.14Å; L70-M149 HydrophobicContact CG-SD 4.39Å; R71-M149 HydrophobicContact CB-CE 3.47Å; R71-M149 VanDerWaalsContact CB-CE 3.47Å; R71-M149 HydrophobicContact CG-CE 3.9Å; L74-M149 HydrophobicContact CD1-CE 3.61Å; N122-M149 VanDerWaalsContact CG-O 3.29Å; N122-M149 PolarHBondContact ND2-O 3.33Å; V139-M149 HydrophobicContact CG1-CB 3.89Å; V139-M149 HydrophobicContact CG1-CG 4.17Å; V139-M149 HydrophobicContact CG1-SD 4.4Å; Y141-M149 HydrophobicContact CD2-CE 3.54Å; Y141-M149 HydrophobicContact CD2-CG 3.94Å; Y141-M149 HydrophobicContact CE2-CE 3.82Å; Y141-M149 HydrophobicContact CG-CE 4.4Å |
| 150 | K | 88.8 | Confident | 83.9 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.9 | -173.9 | -63.3 | -60.9 | -174.5 | 180 | 0 | 112.4 | N122 E124 V139 A140 Q148 | N122-K150 PolarHBondContact OD1-NZ 3.36Å; E124-K150 HydrophobicContact CB-CB 3.64Å; E124-K150 HydrophobicContact CB-CG 4.41Å; E124-K150 HydrophobicContact CG-CB 3.77Å; E124-K150 HydrophobicContact CG-CG 4.23Å; V139-K150 WeakPolarHBondContact CA-O 3.44Å; A140-K150 PolarHBondContact N-O 2.83Å; A140-K150 PolarHBondContact O-N 2.63Å; Q148-K150 HydrophobicContact CB-CG 4.36Å |
| 151 | W | 92.6 | Very high | 84 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.5 | -176.2 | -58.1 | 6.8 | 0 | 0 | 0 | 109.6 | L61 I90 L92 L106 W111 Y120 N122 W123 E124 V137 R138 V139 | L61-W151 HydrophobicContact CB-CH2 4.39Å; L61-W151 HydrophobicContact CB-CZ2 3.66Å; L61-W151 HydrophobicContact CD1-CZ2 4.26Å; L61-W151 WeakPolarHBondContact O-CH2 3.4Å; L61-W151 WeakPolarHBondContact O-CZ2 3.28Å; I90-W151 HydrophobicContact CD1-CD2 4.14Å; I90-W151 HydrophobicContact CD1-CG 4.44Å; L92-W151 HydrophobicContact CD2-CE3 3.88Å; L92-W151 HydrophobicContact CD2-CZ3 3.74Å; L106-W151 HydrophobicContact CD2-CZ3 4.06Å; W111-W151 HydrophobicContact CH2-CH2 4.11Å; W111-W151 HydrophobicContact CZ2-CH2 4.2Å; Y120-W151 HydrophobicContact CD1-CH2 4.21Å; Y120-W151 HydrophobicContact CD1-CZ2 4.05Å; Y120-W151 AromaticContact CE1-CZ2 3.96Å; Y120-W151 HydrophobicContact CE1-CZ2 3.96Å; N122-W151 HydrophobicContact CB-CD2 4.35Å; N122-W151 HydrophobicContact CB-CG 4.42Å; N122-W151 HydrophobicContact CB-CZ2 4.43Å; N122-W151 PolarHBondContact O-N 2.88Å; W123-W151 HydrophobicContact CD2-CB 4.38Å; W123-W151 HydrophobicContact CD2-CE3 4.49Å; W123-W151 HydrophobicContact CE3-CB 3.94Å; W123-W151 HydrophobicContact CZ3-CB 4.39Å; E124-W151 PolarHBondContact N-O 3.47Å; V137-W151 HydrophobicContact CG1-CB 3.78Å; V137-W151 HydrophobicContact CG1-CG 4.33Å; R138-W151 WeakPolarHBondContact O-CA 3.31Å; V139-W151 HydrophobicContact CG2-CG 4.38Å |
| 152 | T | 93.5 | Very high | 84.5 | Confident | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.9 | 176.7 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | E124 R138 | E124-T152 HydrophobicContact CB-CG2 3.77Å; E124-T152 HydrophobicContact CG-CG2 4.48Å; E124-T152 WeakPolarHBondContact OE2-CG2 3.21Å; R138-T152 WeakPolarHBondContact CG-OG1 3.4Å; R138-T152 PolarHBondContact N-O 3.41Å; R138-T152 PolarHBondContact NE-OG1 3.4Å; R138-T152 PolarHBondContact O-N 2.86Å; R138-T152 PolarHBondContact O-OG1 3.05Å |
| 153 | P | 93.8 | Very high | 85.1 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 25% | 0.247 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 138.6 | 171.2 | 31.8 | -33.5 | 0 | 0 | 0 | 109.8 | F109 W123 P127 | F109-P153 HydrophobicContact CE1-CB 4.32Å; F109-P153 HydrophobicContact CZ-CB 3.89Å; W123-P153 HydrophobicContact CZ3-CB 4.36Å; W123-P153 HydrophobicContact CZ3-CG 4.44Å; P127-P153 HydrophobicContact CB-CG 4.15Å; P127-P153 HydrophobicContact CG-CG 4.39Å |
| 154 | E | 93.3 | Very high | 85.9 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 164.9 | 178.8 | -137.6 | 174.5 | -161.2 | 0 | 0 | 112.5 | W89 C136 R138 C156 K158 | W89-E154 HydrophobicContact CH2-CB 4.37Å; C136-E154 PolarHBondContact N-O 3.29Å; C136-E154 PolarHBondContact O-N 3.36Å; C136-E154 VanDerWaalsContact O-O 3.12Å; R138-E154 WeakPolarHBondContact CD-OE2 3.18Å; R138-E154 IonicContact CZ-OE1 3.82Å; R138-E154 IonicContact CZ-OE2 3Å; R138-E154 IonicContact NE-OE1 2.89Å; R138-E154 IonicContact NE-OE2 3.94Å; R138-E154 PolarHBondContact NE-OE2 2.87Å; R138-E154 IonicContact NH1-OE1 3.37Å; R138-E154 PolarHBondContact NH1-OE1 3.14Å; R138-E154 IonicContact NH1-OE2 2.79Å; R138-E154 PolarHBondContact NH1-OE2 3.26Å; R138-E154 VanDerWaalsContact NH2-CD 3.34Å; R138-E154 IonicContact NH2-OE1 4Å; R138-E154 PolarHBondContact NH2-OE1 3.48Å; R138-E154 IonicContact NH2-OE2 2.9Å; E154-C156 PolarHBondContact O-N 3.47Å; E154-K158 HydrophobicContact CG-CD 3.78Å; E154-K158 WeakPolarHBondContact OE1-CD 3.26Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 2.69Å; E154-K158 PolarHBondContact OE1-NZ 3.49Å; E154-K158 WeakPolarHBondContact OE2-CD 3.5Å |
| 155 | G | 93.9 | Very high | 86.9 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 38% | 0.381 | 26% | 0.264 | S | S | . | . | trans | -63.1 | 126.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R157 K158 | G155-R157 PolarHBondContact O-N 3.08Å; G155-K158 PolarHBondContact O-N 3.38Å | ||
| 156 | C | 94.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -12.9 | -175.7 | -58.2 | 0 | 0 | 0 | 0 | 115.4 | F44 S135 C136 E154 | F44-C156 HydrophobicContact CB-CB 4.11Å; F44-C156 WeakPolarHBondContact CB-O 3.49Å; F44-C156 PolarHBondContact N-O 2.92Å; S135-C156 VanDerWaalsContact C-SG 3.55Å; C136-C156 HydrophobicContact CB-CB 3.93Å; C136-C156 WeakPolarHBondContact CB-SG 3.33Å; C136-C156 PolarHBondContact N-SG 3.27Å; C136-C156 VanDerWaalsContact N-SG 3.37Å; C136-C156 WeakPolarHBondContact SG-CB 3.39Å; C136-C156 CovalentContact SG-SG 2.03Å; C136-C156 PolarHBondContact SG-SG 3.33Å; E154-C156 PolarHBondContact O-N 3.47Å |
| 157 | R | 95.4 | Very high | 88.4 | Confident | 232 Ų | 232 | 48.4 Ų | 48.4 | 88% | 0.875 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.4 | 176.8 | -64.8 | -173.5 | -179.1 | -171.4 | -0.8 | 113.8 | G155 | G155-R157 PolarHBondContact O-N 3.08Š|
| 158 | K | 95.4 | Very high | 88.7 | Confident | 110 Ų | 110 | 47.9 Ų | 47.9 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -66.3 | 152.8 | 175.8 | -70.4 | -163.4 | -171.2 | -176.4 | 0 | 109.8 | D43 W89 E154 G155 | D43-K158 WeakPolarHBondContact CA-O 3.48Å; W89-K158 HydrophobicContact CZ2-CB 4.31Å; W89-K158 VanDerWaalsContact CZ2-O 3.29Å; W89-K158 WeakPolarHBondContact CZ2-O 3.35Å; E154-K158 HydrophobicContact CG-CD 3.78Å; E154-K158 WeakPolarHBondContact OE1-CD 3.26Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 2.69Å; E154-K158 PolarHBondContact OE1-NZ 3.49Å; E154-K158 WeakPolarHBondContact OE2-CD 3.5Å; G155-K158 PolarHBondContact O-N 3.38Å |
| 159 | K | 95.1 | Very high | 88.4 | Confident | 160 Ų | 160 | 47.5 Ų | 47.5 | 70% | 0.696 | 22% | 0.22 | S | C | * | . | trans | -96.1 | 133.7 | -179.9 | -61.1 | -172.2 | 175.8 | -171.3 | 0 | 110.5 | P41 V42 | P41-K159 HydrophobicContact CB-CB 4.05Å; V42-K159 VanDerWaalsContact O-CA 3.32Å; V42-K159 WeakPolarHBondContact O-CA 3.38Å | ||
| 160 | A | 94.3 | Very high | 87.5 | Confident | 8 Ų | 8 | 49 Ų | 49 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 162.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P41 V42 K87 W89 | P41-A160 VanDerWaalsContact CA-O 3.28Å; P41-A160 WeakPolarHBondContact CA-O 3.31Å; V42-A160 PolarHBondContact N-O 3.33Å; V42-A160 PolarHBondContact O-N 3.47Å; K87-A160 HydrophobicContact CB-CB 4.41Å; W89-A160 HydrophobicContact CD2-CB 4.24Å; W89-A160 HydrophobicContact CG-CB 4.14Å; W89-A160 HydrophobicContact CZ2-CB 4.47Å |
| 161 | A | 93.1 | Very high | 87 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 166.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | N38 L86 K87 V88 W89 | N38-A161 WeakPolarHBondContact O-CA 3.45Å; N38-A161 WeakPolarHBondContact O-CB 3.43Å; L86-A161 HydrophobicContact CD1-CB 4.1Å; K87-A161 WeakPolarHBondContact O-CB 3.25Å; K87-A161 PolarHBondContact O-N 2.96Å; K87-A161 VanDerWaalsContact O-N 3.11Å; V88-A161 CarbonylContact C-O 3.59Å; V88-A161 VanDerWaalsContact CA-O 3.25Å; V88-A161 WeakPolarHBondContact CA-O 3.48Å; V88-A161 HydrophobicContact CG2-CB 4.39Å; W89-A161 PolarHBondContact N-O 2.88Å |
| 162 | Y | 93.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 146.6 | -179.2 | 62.2 | -79.9 | 0 | 0 | 0 | 111.1 | N38 V42 A47 I50 L58 | N38-Y162 HydrophobicContact CB-CD1 3.94Å; N38-Y162 HydrophobicContact CB-CD2 4.16Å; N38-Y162 HydrophobicContact CB-CE1 3.48Å; N38-Y162 VanDerWaalsContact CB-CE1 3.48Å; N38-Y162 HydrophobicContact CB-CE2 3.74Å; N38-Y162 HydrophobicContact CB-CG 4.25Å; N38-Y162 PolarHBondContact N-O 3.22Å; N38-Y162 WeakPolarHBondContact ND2-CE2 3.43Å; N38-Y162 PolarHBondContact O-N 3.46Å; N38-Y162 VanDerWaalsContact O-N 3.13Å; V42-Y162 HydrophobicContact CG2-CD1 3.58Å; V42-Y162 HydrophobicContact CG2-CE1 3.46Å; V42-Y162 VanDerWaalsContact CG2-CE1 3.46Å; A47-Y162 HydrophobicContact CB-CD1 4Å; A47-Y162 HydrophobicContact CB-CD2 3.87Å; A47-Y162 HydrophobicContact CB-CE2 4.45Å; A47-Y162 HydrophobicContact CB-CG 3.61Å; I50-Y162 HydrophobicContact CB-CE2 4.42Å; I50-Y162 WeakPolarHBondContact CD1-OH 3.26Å; I50-Y162 HydrophobicContact CG2-CE2 4.19Å; I50-Y162 WeakPolarHBondContact CG2-OH 3.38Å; L58-Y162 HydrophobicContact CD1-CD2 4.26Å |
| 163 | A | 91.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V36 L37 M59 L70 V88 | V36-A163 CarbonylContact O-C 3.52Å; V36-A163 WeakPolarHBondContact O-CA 2.99Å; L37-A163 HydrophobicContact CD1-CB 4.11Å; M59-A163 HydrophobicContact CB-CB 3.8Å; M59-A163 WeakPolarHBondContact CB-O 3.5Å; M59-A163 HydrophobicContact CG-CB 4.41Å; M59-A163 PolarHBondContact N-O 3.11Å; M59-A163 HydrophobicContact SD-CB 3.76Å; L70-A163 HydrophobicContact CD1-CB 4.04Å; V88-A163 HydrophobicContact CG1-CB 4.16Å |
| 164 | C | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.4 | 170.4 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | F35 V36 C51 Y57 F166 | F35-C164 CarbonylContact C-O 3.5Å; F35-C164 VanDerWaalsContact CA-O 3.31Å; F35-C164 WeakPolarHBondContact CA-O 2.99Å; V36-C164 PolarHBondContact N-O 3.22Å; V36-C164 PolarHBondContact O-N 2.94Å; C51-C164 WeakPolarHBondContact CA-SG 3.34Å; C51-C164 HydrophobicContact CB-CB 3.76Å; C51-C164 WeakPolarHBondContact CB-SG 3.42Å; C51-C164 VanDerWaalsContact SG-CA 3.52Å; C51-C164 WeakPolarHBondContact SG-CB 3.28Å; C51-C164 CovalentContact SG-SG 2.04Å; C51-C164 PolarHBondContact SG-SG 3.16Å; Y57-C164 CarbonylContact O-C 3.46Å; Y57-C164 WeakPolarHBondContact O-CA 3.37Å; C164-F166 HydrophobicContact CB-CD2 4.32Å; C164-F166 HydrophobicContact CB-CE1 4.41Å; C164-F166 HydrophobicContact CB-CE2 3.37Å; C164-F166 HydrophobicContact CB-CZ 3.43Å; C164-F166 VanDerWaalsContact CB-CZ 3.43Å |
| 165 | K | 87.8 | Confident | 84.3 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128 | 172.4 | -179.1 | -178.6 | -172.2 | -172.1 | 0 | 109.1 | A33 F35 G56 Y57 M59 E66 Y167 | A33-K165 HydrophobicContact CB-CG 4.33Å; F35-K165 HydrophobicContact CD1-CB 3.91Å; F35-K165 HydrophobicContact CD1-CD 4.38Å; F35-K165 HydrophobicContact CD1-CG 3.81Å; F35-K165 HydrophobicContact CE1-CB 4.03Å; F35-K165 HydrophobicContact CE1-CD 3.64Å; F35-K165 HydrophobicContact CE1-CG 3.51Å; F35-K165 HydrophobicContact CZ-CD 4.32Å; F35-K165 HydrophobicContact CZ-CG 4.29Å; G56-K165 CarbonylContact C-O 3.3Å; G56-K165 VanDerWaalsContact CA-O 3.28Å; G56-K165 WeakPolarHBondContact CA-O 3.28Å; Y57-K165 PolarHBondContact N-O 2.8Å; Y57-K165 PolarHBondContact O-N 3.35Å; M59-K165 HydrophobicContact CB-CB 4.28Å; M59-K165 HydrophobicContact CG-CB 4.42Å; E66-K165 IonicContact OE1-NZ 2.82Å; E66-K165 PolarHBondContact OE1-NZ 2.84Å; K165-Y167 HydrophobicContact CD-CE2 4.31Å; K165-Y167 WeakPolarHBondContact CE-OH 3.46Å; K165-Y167 HydrophobicContact CG-CE2 4.48Å; K165-Y167 PolarHBondContact NZ-OH 3.31Å |
| 166 | F | 81.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.4 | -179.2 | -56.7 | -89.4 | 0 | 0 | 0 | 109.5 | A33 C34 V36 D54 G56 C164 I188 F189 | A33-F166 CarbonylContact C-O 3.55Å; A33-F166 WeakPolarHBondContact CA-O 3.02Å; A33-F166 VanDerWaalsContact CB-O 3.29Å; A33-F166 WeakPolarHBondContact CB-O 3.03Å; C34-F166 PolarHBondContact N-O 3.06Å; C34-F166 PolarHBondContact O-N 2.63Å; V36-F166 HydrophobicContact CB-CE2 3.89Å; V36-F166 HydrophobicContact CG2-CD2 4.09Å; V36-F166 HydrophobicContact CG2-CE2 3.62Å; D54-F166 HydrophobicContact CB-CE1 3.8Å; D54-F166 HydrophobicContact CB-CZ 4.06Å; D54-F166 VanDerWaalsContact O-CE1 3.26Å; D54-F166 WeakPolarHBondContact O-CE1 3.44Å; G56-F166 VanDerWaalsContact CA-CD1 3.41Å; C164-F166 HydrophobicContact CB-CD2 4.32Å; C164-F166 HydrophobicContact CB-CE1 4.41Å; C164-F166 HydrophobicContact CB-CE2 3.37Å; C164-F166 HydrophobicContact CB-CZ 3.43Å; C164-F166 VanDerWaalsContact CB-CZ 3.43Å; F166-I188 HydrophobicContact CD1-CD1 3.5Å; F166-I188 VanDerWaalsContact CD1-CD1 3.5Å; F166-I188 HydrophobicContact CD2-CD1 3.94Å; F166-I188 HydrophobicContact CE1-CD1 3.19Å; F166-I188 HydrophobicContact CE2-CD1 3.63Å; F166-I188 HydrophobicContact CG-CD1 3.89Å; F166-I188 HydrophobicContact CZ-CD1 3.25Å; F166-F189 HydrophobicContact CB-CE1 3.77Å; F166-F189 HydrophobicContact CB-CZ 3.4Å; F166-F189 VanDerWaalsContact CB-CZ 3.4Å; F166-F189 HydrophobicContact CD1-CE1 4.43Å; F166-F189 AromaticContact CD1-CZ 3.92Å; F166-F189 HydrophobicContact CD1-CZ 3.92Å; F166-F189 AromaticContact CD2-CE1 3.69Å; F166-F189 HydrophobicContact CD2-CE1 3.69Å; F166-F189 AromaticContact CD2-CZ 4Å; F166-F189 HydrophobicContact CD2-CZ 4Å; F166-F189 HydrophobicContact CE2-CE1 4.43Å; F166-F189 AromaticContact CG-CE1 3.7Å; F166-F189 HydrophobicContact CG-CE1 3.7Å; F166-F189 AromaticContact CG-CZ 3.49Å; F166-F189 HydrophobicContact CG-CZ 3.49Å; F166-F189 VanDerWaalsContact CG-CZ 3.49Å |
| 167 | Y | 73.7 | Confident | 81.8 | Confident | 65 Ų | 65 | 54 Ų | 54 | 26% | 0.255 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 150.9 | 170.3 | -61.8 | -84.7 | 0 | 0 | 0 | 108.6 | Y57 K165 Q169 | Y57-Y167 HydrophobicContact CD2-CD2 4.15Å; Y57-Y167 HydrophobicContact CD2-CE2 4.07Å; Y57-Y167 HydrophobicContact CE2-CD2 4.33Å; K165-Y167 HydrophobicContact CD-CE2 4.31Å; K165-Y167 WeakPolarHBondContact CE-OH 3.46Å; K165-Y167 HydrophobicContact CG-CE2 4.48Å; K165-Y167 PolarHBondContact NZ-OH 3.31Å; Y167-Q169 PolarHBondContact O-N 3.46Å |
| 168 | F | 66.4 | Low | 80 | Confident | 121 Ų | 121 | 44.4 Ų | 44.4 | 53% | 0.531 | 23% | 0.225 | S | C | . | . | trans | -73.8 | 67.6 | 167.7 | -57.8 | -71.6 | 0 | 0 | 0 | 109.2 | C34 | C34-F168 VanDerWaalsContact SG-CZ 3.56Š| ||
| 169 | Q | 61.4 | Low | 78.3 | Confident | 81 Ų | 81 | 40 Ų | 40 | 38% | 0.379 | 21% | 0.211 | S | C | . | . | trans | -101.4 | 110.5 | 179.2 | -81.8 | -178.3 | -14 | 0 | 0 | 109.2 | Y167 Y203 Y228 | Y167-Q169 PolarHBondContact O-N 3.46Å; Q169-Y203 VanDerWaalsContact O-CB 3.3Å; Q169-Y203 WeakPolarHBondContact O-CB 3.42Å; Q169-Y228 WeakPolarHBondContact O-CE1 3.46Å | ||
| 170 | G | 65.9 | Low | 76.5 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | trans | 62.8 | 166.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y228 | G170-Y228 VanDerWaalsContact CA-CE2 3.43Å; G170-Y228 VanDerWaalsContact CA-CZ 3.49Å | ||
| 171 | M | 78.4 | Confident | 75.3 | Confident | 96 Ų | 96 | 36.6 Ų | 36.6 | 47% | 0.473 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142.4 | 178 | -57.5 | -178.5 | -178.2 | 0 | 0 | 109.3 | L200 L201 | M171-L200 HydrophobicContact CB-CB 3.71Å; M171-L200 HydrophobicContact CB-CD1 4.24Å; M171-L200 HydrophobicContact CB-CD2 4.25Å; M171-L200 HydrophobicContact CB-CG 4.29Å; M171-L200 HydrophobicContact CG-CB 4.23Å; M171-L200 HydrophobicContact SD-CB 3.52Å; M171-L200 VanDerWaalsContact SD-CB 3.52Å; M171-L200 HydrophobicContact SD-CD1 3.88Å; M171-L200 HydrophobicContact SD-CG 4.34Å; M171-L201 CarbonylContact C-O 3.52Å; M171-L201 WeakPolarHBondContact CA-O 3.15Å; M171-L201 WeakPolarHBondContact CB-O 3.35Å |
| 172 | C | 79.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 143.8 | 170.4 | -63.4 | 0 | 0 | 0 | 0 | 110 | L200 L201 C221 A229 W230 | C172-L200 CarbonylContact O-C 3.48Å; C172-L201 PolarHBondContact N-O 3.32Å; C172-L201 PolarHBondContact O-N 3.34Å; C172-C221 HydrophobicContact CB-CB 3.74Å; C172-C221 WeakPolarHBondContact CB-SG 3.21Å; C172-C221 PolarHBondContact N-SG 3.31Å; C172-C221 VanDerWaalsContact N-SG 3.39Å; C172-C221 WeakPolarHBondContact SG-CA 3Å; C172-C221 WeakPolarHBondContact SG-CB 3.35Å; C172-C221 CovalentContact SG-SG 2.02Å; C172-C221 PolarHBondContact SG-SG 3.08Å; C172-A229 VanDerWaalsContact SG-C 3.59Å; C172-A229 PolarHBondContact SG-N 3.32Å; C172-W230 HydrophobicContact CB-CD2 4.47Å; C172-W230 HydrophobicContact CB-CZ2 4.05Å |
| 173 | P | 79.1 | Confident | 73.8 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -63.1 | 161.6 | 166.5 | 29.6 | -34.8 | 0 | 0 | 0 | 110.4 | L175 W230 | P173-L175 PolarHBondContact O-N 2.7Å; P173-W230 PolarHBondContact O-NE1 2.92Å |
| 174 | P | 80.2 | Confident | 73.4 | Confident | 49 Ų | 49 | 45.3 Ų | 45.3 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -51.4 | 130.7 | 169.2 | -28.5 | 36.5 | 0 | 0 | 0 | 111 | L198 K199 | P174-L198 VanDerWaalsContact CG-O 3.22Å; P174-L198 WeakPolarHBondContact CG-O 3.4Å; P174-K199 WeakPolarHBondContact CD-O 3.35Å |
| 175 | L | 78.1 | Confident | 73 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 138.6 | 172.4 | -177.9 | 73.2 | 0 | 0 | 0 | 108.9 | P173 I183 Y185 A207 V209 W230 F236 | P173-L175 PolarHBondContact O-N 2.7Å; L175-I183 HydrophobicContact CB-CD1 3.88Å; L175-I183 HydrophobicContact CD2-CD1 3.96Å; L175-I183 HydrophobicContact CG-CD1 3.93Å; L175-I183 WeakPolarHBondContact O-CD1 3.22Å; L175-Y185 HydrophobicContact CB-CE1 4.2Å; L175-Y185 PolarHBondContact N-OH 2.82Å; L175-Y185 PolarHBondContact O-OH 3.47Å; L175-Y185 VanDerWaalsContact O-OH 3.04Å; L175-A207 HydrophobicContact CD2-CB 3.87Å; L175-V209 HydrophobicContact CD2-CG2 3.96Å; L175-W230 HydrophobicContact CB-CD2 4.1Å; L175-W230 HydrophobicContact CB-CG 4.25Å; L175-W230 HydrophobicContact CB-CZ2 4.27Å; L175-W230 HydrophobicContact CD1-CB 3.85Å; L175-W230 HydrophobicContact CD1-CD2 4.19Å; L175-W230 HydrophobicContact CD1-CG 3.62Å; L175-W230 HydrophobicContact CG-CG 4.46Å; L175-F236 HydrophobicContact CD1-CE2 3.98Å; L175-F236 HydrophobicContact CD2-CD2 3.98Å; L175-F236 HydrophobicContact CD2-CE2 3.67Å; L175-F236 HydrophobicContact CG-CE2 4.27Å |
| 176 | V | 71.8 | Confident | 72.6 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 135 | -177.4 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 177 | L | 65.3 | Low | 72.3 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 141.6 | 173.4 | -68.8 | 179.9 | 0 | 0 | 0 | 110.3 | I183 V209 F236 D247 | L177-I183 HydrophobicContact CD1-CD1 4.27Å; L177-I183 HydrophobicContact CD1-CG1 3.82Å; L177-I183 HydrophobicContact CD2-CD1 3.72Å; L177-I183 HydrophobicContact CD2-CG1 3.57Å; L177-I183 HydrophobicContact CG-CD1 3.53Å; L177-I183 HydrophobicContact CG-CG1 3.56Å; L177-V209 HydrophobicContact CD2-CG1 3.57Å; L177-F236 HydrophobicContact CD2-CB 4.2Å; L177-D247 VanDerWaalsContact O-OD2 3.11Å |
| 178 | Q | 56.8 | Low | 72 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -95.4 | 4.6 | 176.2 | -66.3 | -168.7 | -2.8 | 0 | 0 | 113.4 | P235 F277 | Q178-P235 HydrophobicContact CG-CB 4.24Å; Q178-F277 VanDerWaalsContact NE2-CG 3.3Å; Q178-F277 VanDerWaalsContact NE2-CZ 3.34Å |
| 179 | G | 59.6 | Low | 72 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -160.6 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | G181 | G179-G181 PolarHBondContact O-N 3.5Å; G179-G181 VanDerWaalsContact O-N 3.1Å |
| 180 | P | 57.4 | Low | 72.1 | Confident | 57 Ų | 57 | 44.8 Ų | 44.8 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -59.2 | 113.8 | 176.5 | 22.7 | -30.3 | 0 | 0 | 0 | 111.2 | ||
| 181 | G | 70 | Confident | 71.5 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -175.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G179 F210 | G179-G181 PolarHBondContact O-N 3.5Å; G179-G181 VanDerWaalsContact O-N 3.1Å; G181-F210 CarbonylContact C-O 3.55Å; G181-F210 WeakPolarHBondContact CA-O 3.37Å |
| 182 | R | 75.2 | Confident | 70.5 | Confident | 147 Ų | 147 | 53.4 Ų | 53.4 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.5 | 169.5 | 64.5 | 176.4 | -174.1 | 145.4 | 3.3 | 109.7 | F210 | R182-F210 HydrophobicContact CG-CB 3.77Å; R182-F210 HydrophobicContact CG-CD2 4.35Å; R182-F210 HydrophobicContact CG-CG 4.28Å; R182-F210 PolarHBondContact N-O 2.86Å; R182-F210 PolarHBondContact O-N 2.84Å |
| 183 | I | 78.9 | Confident | 69.5 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.3 | 170.3 | -59.9 | 163.1 | 0 | 0 | 0 | 108 | L175 L177 Y185 A207 G208 V209 | L175-I183 HydrophobicContact CB-CD1 3.88Å; L175-I183 HydrophobicContact CD2-CD1 3.96Å; L175-I183 HydrophobicContact CG-CD1 3.93Å; L175-I183 WeakPolarHBondContact O-CD1 3.22Å; L177-I183 HydrophobicContact CD1-CD1 4.27Å; L177-I183 HydrophobicContact CD1-CG1 3.82Å; L177-I183 HydrophobicContact CD2-CD1 3.72Å; L177-I183 HydrophobicContact CD2-CG1 3.57Å; L177-I183 HydrophobicContact CG-CD1 3.53Å; L177-I183 HydrophobicContact CG-CG1 3.56Å; I183-Y185 HydrophobicContact CB-CE2 4.32Å; I183-Y185 HydrophobicContact CG2-CD1 3.9Å; I183-Y185 HydrophobicContact CG2-CD2 4.27Å; I183-Y185 HydrophobicContact CG2-CE1 3.48Å; I183-Y185 VanDerWaalsContact CG2-CE1 3.48Å; I183-Y185 HydrophobicContact CG2-CE2 3.87Å; I183-Y185 HydrophobicContact CG2-CG 4.29Å; I183-Y185 VanDerWaalsContact CG2-CZ 3.45Å; I183-A207 HydrophobicContact CG2-CB 3.8Å; I183-G208 WeakPolarHBondContact CA-O 3.02Å; I183-V209 HydrophobicContact CG1-CG2 4.45Å |
| 184 | V | 83.6 | Confident | 68.5 | Low | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.7 | 170.6 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | P193 G208 F210 | V184-P193 HydrophobicContact CG1-CB 3.87Å; V184-P193 HydrophobicContact CG1-CG 4.35Å; V184-G208 PolarHBondContact N-O 3.46Å; V184-G208 PolarHBondContact O-N 2.88Å; V184-F210 HydrophobicContact CB-CD2 4.48Å; V184-F210 HydrophobicContact CB-CE2 3.89Å; V184-F210 HydrophobicContact CG2-CD2 3.9Å; V184-F210 HydrophobicContact CG2-CE2 3.59Å; V184-F210 HydrophobicContact CG2-CZ 4.42Å |
| 185 | Y | 81.8 | Confident | 67.1 | Low | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.2 | 177 | -61.6 | -71 | 0 | 0 | 0 | 110 | L175 I183 P193 L194 T196 L201 T205 R206 A207 W230 | L175-Y185 HydrophobicContact CB-CE1 4.2Å; L175-Y185 PolarHBondContact N-OH 2.82Å; L175-Y185 PolarHBondContact O-OH 3.47Å; L175-Y185 VanDerWaalsContact O-OH 3.04Å; I183-Y185 HydrophobicContact CB-CE2 4.32Å; I183-Y185 HydrophobicContact CG2-CD1 3.9Å; I183-Y185 HydrophobicContact CG2-CD2 4.27Å; I183-Y185 HydrophobicContact CG2-CE1 3.48Å; I183-Y185 VanDerWaalsContact CG2-CE1 3.48Å; I183-Y185 HydrophobicContact CG2-CE2 3.87Å; I183-Y185 HydrophobicContact CG2-CG 4.29Å; I183-Y185 VanDerWaalsContact CG2-CZ 3.45Å; Y185-P193 WeakPolarHBondContact O-CA 3.48Å; Y185-L194 PolarHBondContact O-N 2.76Å; Y185-T196 HydrophobicContact CD2-CG2 4.3Å; Y185-T196 HydrophobicContact CE2-CG2 4.16Å; Y185-L201 HydrophobicContact CD1-CD1 3.39Å; Y185-L201 HydrophobicContact CD1-CD2 4.42Å; Y185-L201 HydrophobicContact CD2-CD1 4.1Å; Y185-L201 HydrophobicContact CE1-CD1 3.3Å; Y185-L201 HydrophobicContact CE2-CD1 4.04Å; Y185-L201 HydrophobicContact CG-CD1 3.79Å; Y185-L201 HydrophobicContact CG-CD2 4.14Å; Y185-T205 HydrophobicContact CD1-CG2 4.37Å; Y185-R206 WeakPolarHBondContact CA-O 3.08Å; Y185-A207 HydrophobicContact CD1-CB 3.82Å; Y185-A207 HydrophobicContact CE1-CB 3.75Å; Y185-W230 AromaticContact CD1-CH2 3.92Å; Y185-W230 HydrophobicContact CD1-CH2 3.92Å; Y185-W230 HydrophobicContact CD1-CZ2 4.29Å; Y185-W230 AromaticContact CE1-CH2 3.83Å; Y185-W230 HydrophobicContact CE1-CH2 3.83Å; Y185-W230 AromaticContact CE1-CZ2 3.8Å; Y185-W230 HydrophobicContact CE1-CZ2 3.8Å |
| 186 | E | 80.7 | Confident | 65.9 | Low | 93 Ų | 93 | 64.3 Ų | 64.3 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 114.2 | 176.8 | -64.6 | 174.9 | 160.8 | 0 | 0 | 107.5 | R206 | E186-R206 HydrophobicContact CB-CB 4.47Å; E186-R206 PolarHBondContact N-O 2.98Å; E186-R206 PolarHBondContact O-N 2.85Å; E186-R206 IonicContact OE2-NH1 3.19Å; E186-R206 PolarHBondContact OE2-NH1 3.45Å |
| 187 | S | 75.3 | Confident | 65 | Low | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | trans | -105.3 | 142.6 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | F189 I190 L194 | S187-F189 PolarHBondContact O-N 2.58Å; S187-F189 WeakPolarHBondContact OG-CD2 3.47Å; S187-F189 PolarHBondContact OG-N 2.96Å; S187-I190 PolarHBondContact O-N 3.33Å; S187-I190 VanDerWaalsContact O-N 3.14Å; S187-I190 VanDerWaalsContact O-O 3.11Å; S187-L194 VanDerWaalsContact CB-CD1 3.46Å; S187-L194 VanDerWaalsContact N-CD1 3.34Å | ||
| 188 | I | 67.6 | Low | 64.7 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 21% | 0.205 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.4 | 170.2 | 51.8 | 158.7 | 0 | 0 | 0 | 113.2 | D54 F166 | D54-I188 HydrophobicContact CB-CD1 4.3Å; D54-I188 HydrophobicContact CB-CG2 4.33Å; F166-I188 HydrophobicContact CD1-CD1 3.5Å; F166-I188 VanDerWaalsContact CD1-CD1 3.5Å; F166-I188 HydrophobicContact CD2-CD1 3.94Å; F166-I188 HydrophobicContact CE1-CD1 3.19Å; F166-I188 HydrophobicContact CE2-CD1 3.63Å; F166-I188 HydrophobicContact CG-CD1 3.89Å; F166-I188 HydrophobicContact CZ-CD1 3.25Å |
| 189 | F | 64.8 | Low | 65 | Low | 41 Ų | 41 | 79.9 Ų | 79.9 | 18% | 0.18 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -13.9 | -179.1 | -54.2 | -52.9 | 0 | 0 | 0 | 114.5 | M27 C34 F166 S187 P202 | M27-F189 HydrophobicContact CE-CB 3.66Å; M27-F189 HydrophobicContact CE-CD1 3.56Å; M27-F189 HydrophobicContact CE-CG 4.05Å; M27-F189 HydrophobicContact SD-CB 4.38Å; M27-F189 HydrophobicContact SD-CD1 4.19Å; C34-F189 HydrophobicContact CB-CD1 3.79Å; C34-F189 HydrophobicContact CB-CE1 3.54Å; C34-F189 HydrophobicContact CB-CZ 4.41Å; F166-F189 HydrophobicContact CB-CE1 3.77Å; F166-F189 HydrophobicContact CB-CZ 3.4Å; F166-F189 VanDerWaalsContact CB-CZ 3.4Å; F166-F189 HydrophobicContact CD1-CE1 4.43Å; F166-F189 AromaticContact CD1-CZ 3.92Å; F166-F189 HydrophobicContact CD1-CZ 3.92Å; F166-F189 AromaticContact CD2-CE1 3.69Å; F166-F189 HydrophobicContact CD2-CE1 3.69Å; F166-F189 AromaticContact CD2-CZ 4Å; F166-F189 HydrophobicContact CD2-CZ 4Å; F166-F189 HydrophobicContact CE2-CE1 4.43Å; F166-F189 AromaticContact CG-CE1 3.7Å; F166-F189 HydrophobicContact CG-CE1 3.7Å; F166-F189 AromaticContact CG-CZ 3.49Å; F166-F189 HydrophobicContact CG-CZ 3.49Å; F166-F189 VanDerWaalsContact CG-CZ 3.49Å; S187-F189 PolarHBondContact O-N 2.58Å; S187-F189 WeakPolarHBondContact OG-CD2 3.47Å; S187-F189 PolarHBondContact OG-N 2.96Å; F189-P202 HydrophobicContact CD2-CB 4.27Å; F189-P202 HydrophobicContact CE2-CB 4.24Å |
| 190 | I | 63.6 | Low | 65.7 | Low | 81 Ų | 81 | 83.1 Ų | 83.1 | 42% | 0.415 | 41% | 0.414 | S | S | . | . | trans | -129.2 | 116.6 | -172.5 | -47.8 | -161.7 | 0 | 0 | 0 | 108.9 | S187 Q192 L194 | S187-I190 PolarHBondContact O-N 3.33Å; S187-I190 VanDerWaalsContact O-N 3.14Å; S187-I190 VanDerWaalsContact O-O 3.11Å; I190-Q192 VanDerWaalsContact CG2-O 3.26Å; I190-Q192 WeakPolarHBondContact CG2-O 3.4Å; I190-Q192 PolarHBondContact O-N 3.03Å; I190-L194 HydrophobicContact CB-CG 4.35Å; I190-L194 HydrophobicContact CD1-CD2 3.39Å; I190-L194 HydrophobicContact CD1-CG 3.81Å; I190-L194 HydrophobicContact CG1-CD2 4.18Å; I190-L194 HydrophobicContact CG1-CG 4.35Å | ||
| 191 | K | 53.7 | Low | 66.7 | Low | 157 Ų | 157 | 80.5 Ų | 80.5 | 68% | 0.683 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -68.9 | -13.7 | 179.7 | -72.2 | -174.4 | 176.5 | 178.8 | 0 | 113.6 | ||
| 192 | Q | 58.6 | Low | 67 | Low | 150 Ų | 150 | 80.4 Ų | 80.4 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -108.8 | 149.6 | 174.3 | -65.8 | -173.8 | 6.6 | 0 | 0 | 110 | I190 L194 | I190-Q192 VanDerWaalsContact CG2-O 3.26Å; I190-Q192 WeakPolarHBondContact CG2-O 3.4Å; I190-Q192 PolarHBondContact O-N 3.03Å; Q192-L194 PolarHBondContact O-N 3.33Å |
| 193 | P | 57.3 | Low | 67.3 | Low | 86 Ų | 86 | 75.3 Ų | 75.3 | 56% | 0.558 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 129.1 | 172.5 | -19.6 | 29.5 | 0 | 0 | 0 | 109.2 | V184 Y185 K195 | V184-P193 HydrophobicContact CG1-CB 3.87Å; V184-P193 HydrophobicContact CG1-CG 4.35Å; Y185-P193 WeakPolarHBondContact O-CA 3.48Å; P193-K195 PolarHBondContact O-N 3.14Å |
| 194 | L | 58.3 | Low | 67.2 | Low | 12 Ų | 12 | 74.3 Ų | 74.3 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -62 | 131.2 | 179.1 | -64.9 | 99.4 | 0 | 0 | 0 | 108.2 | Y185 S187 I190 Q192 T196 L198 L201 T205 | Y185-L194 PolarHBondContact O-N 2.76Å; S187-L194 VanDerWaalsContact CB-CD1 3.46Å; S187-L194 VanDerWaalsContact N-CD1 3.34Å; I190-L194 HydrophobicContact CB-CG 4.35Å; I190-L194 HydrophobicContact CD1-CD2 3.39Å; I190-L194 HydrophobicContact CD1-CG 3.81Å; I190-L194 HydrophobicContact CG1-CD2 4.18Å; I190-L194 HydrophobicContact CG1-CG 4.35Å; Q192-L194 PolarHBondContact O-N 3.33Å; L194-T196 PolarHBondContact O-N 2.78Å; L194-L198 HydrophobicContact CB-CD1 3.9Å; L194-L198 HydrophobicContact CD2-CD1 3.19Å; L194-L198 HydrophobicContact CG-CD1 4.11Å; L194-L201 HydrophobicContact CB-CD2 4.41Å; L194-L201 HydrophobicContact CD2-CD2 4.11Å; L194-T205 HydrophobicContact CD1-CG2 4.47Å |
| 195 | K | 51.5 | Low | 67.1 | Low | 159 Ų | 159 | 73 Ų | 73 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 134.8 | 170 | -70.9 | -173.6 | 177.4 | -176.2 | 0 | 108 | P193 E197 L198 | P193-K195 PolarHBondContact O-N 3.14Å; K195-E197 PolarHBondContact O-N 3.04Å; K195-L198 PolarHBondContact O-N 3.29Å |
| 196 | T | 51.3 | Low | 67.3 | Low | 103 Ų | 103 | 75.5 Ų | 75.5 | 63% | 0.632 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 1.7 | 179.9 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | Y185 L194 | Y185-T196 HydrophobicContact CD2-CG2 4.3Å; Y185-T196 HydrophobicContact CE2-CG2 4.16Å; L194-T196 PolarHBondContact O-N 2.78Å |
| 197 | E | 54.1 | Low | 67.6 | Low | 162 Ų | 162 | 71.1 Ų | 71.1 | 76% | 0.757 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -10.1 | 179.3 | -64.9 | 175.6 | -176.3 | 0 | 0 | 113.6 | K195 K199 | K195-E197 PolarHBondContact O-N 3.04Å; E197-K199 PolarHBondContact O-N 3.26Å |
| 198 | L | 59.4 | Low | 68.1 | Low | 75 Ų | 75 | 70.7 Ų | 70.7 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | trans | -66.9 | 123 | 176.4 | -71.5 | 172.5 | 0 | 0 | 0 | 110.4 | P174 L194 K195 L200 L201 | P174-L198 VanDerWaalsContact CG-O 3.22Å; P174-L198 WeakPolarHBondContact CG-O 3.4Å; L194-L198 HydrophobicContact CB-CD1 3.9Å; L194-L198 HydrophobicContact CD2-CD1 3.19Å; L194-L198 HydrophobicContact CG-CD1 4.11Å; K195-L198 PolarHBondContact O-N 3.29Å; L198-L200 PolarHBondContact O-N 2.98Å; L198-L201 HydrophobicContact CB-CD2 4.35Å; L198-L201 HydrophobicContact CD1-CD2 4.16Å | ||
| 199 | K | 63.2 | Low | 69 | Low | 190 Ų | 190 | 68.8 Ų | 68.8 | 83% | 0.826 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -67.3 | -21.6 | 177.2 | -67.8 | -176.3 | 177.5 | -179.9 | 0 | 113.2 | P174 E197 | P174-K199 WeakPolarHBondContact CD-O 3.35Å; E197-K199 PolarHBondContact O-N 3.26Å |
| 200 | L | 73.8 | Confident | 69.7 | Low | 86 Ų | 86 | 68.4 Ų | 68.4 | 45% | 0.45 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -149.8 | 141.4 | -177 | -73.1 | 177.9 | 0 | 0 | 0 | 109.1 | M171 C172 L198 | M171-L200 HydrophobicContact CB-CB 3.71Å; M171-L200 HydrophobicContact CB-CD1 4.24Å; M171-L200 HydrophobicContact CB-CD2 4.25Å; M171-L200 HydrophobicContact CB-CG 4.29Å; M171-L200 HydrophobicContact CG-CB 4.23Å; M171-L200 HydrophobicContact SD-CB 3.52Å; M171-L200 VanDerWaalsContact SD-CB 3.52Å; M171-L200 HydrophobicContact SD-CD1 3.88Å; M171-L200 HydrophobicContact SD-CG 4.34Å; C172-L200 CarbonylContact O-C 3.48Å; L198-L200 PolarHBondContact O-N 2.98Å |
| 201 | L | 78 | Confident | 70.3 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134 | -175.6 | -71.1 | 160.6 | 0 | 0 | 0 | 110 | M171 C172 Y185 L194 L198 T205 W230 | M171-L201 CarbonylContact C-O 3.52Å; M171-L201 WeakPolarHBondContact CA-O 3.15Å; M171-L201 WeakPolarHBondContact CB-O 3.35Å; C172-L201 PolarHBondContact N-O 3.32Å; C172-L201 PolarHBondContact O-N 3.34Å; Y185-L201 HydrophobicContact CD1-CD1 3.39Å; Y185-L201 HydrophobicContact CD1-CD2 4.42Å; Y185-L201 HydrophobicContact CD2-CD1 4.1Å; Y185-L201 HydrophobicContact CE1-CD1 3.3Å; Y185-L201 HydrophobicContact CE2-CD1 4.04Å; Y185-L201 HydrophobicContact CG-CD1 3.79Å; Y185-L201 HydrophobicContact CG-CD2 4.14Å; L194-L201 HydrophobicContact CB-CD2 4.41Å; L194-L201 HydrophobicContact CD2-CD2 4.11Å; L198-L201 HydrophobicContact CB-CD2 4.35Å; L198-L201 HydrophobicContact CD1-CD2 4.16Å; L201-T205 HydrophobicContact CB-CG2 4.37Å; L201-T205 HydrophobicContact CD2-CG2 4.35Å; L201-W230 HydrophobicContact CB-CZ2 4.37Å; L201-W230 HydrophobicContact CD1-CH2 4.08Å; L201-W230 HydrophobicContact CD1-CZ2 3.62Å |
| 202 | P | 76.3 | Confident | 70.9 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 148.8 | -178.1 | -24.9 | 33.4 | 0 | 0 | 0 | 113.1 | F189 T205 | F189-P202 HydrophobicContact CD2-CB 4.27Å; F189-P202 HydrophobicContact CE2-CB 4.24Å; P202-T205 WeakPolarHBondContact O-CB 3.3Å; P202-T205 PolarHBondContact O-N 2.63Å; P202-T205 VanDerWaalsContact O-N 3.12Å; P202-T205 PolarHBondContact O-OG1 3.12Å |
| 203 | Y | 80.9 | Confident | 71.2 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 141.3 | 167.6 | 178.5 | -118.7 | 0 | 0 | 0 | 111.7 | G55 Q169 T205 C221 K222 E223 Y228 | G55-Y203 WeakPolarHBondContact O-CD1 3.49Å; G55-Y203 WeakPolarHBondContact O-CE1 3.43Å; Q169-Y203 VanDerWaalsContact O-CB 3.3Å; Q169-Y203 WeakPolarHBondContact O-CB 3.42Å; Y203-T205 VanDerWaalsContact C-N 3.26Å; Y203-T205 PolarHBondContact O-N 3.21Å; Y203-C221 WeakPolarHBondContact CD2-O 3.48Å; Y203-K222 HydrophobicContact CE2-CB 4.46Å; Y203-E223 HydrophobicContact CE2-CB 4.41Å; Y203-Y228 AromaticContact CD2-CD1 3.89Å; Y203-Y228 HydrophobicContact CD2-CD1 3.89Å; Y203-Y228 HydrophobicContact CD2-CE1 4.01Å; Y203-Y228 HydrophobicContact CG-CD1 4.43Å; Y203-Y228 HydrophobicContact CG-CE1 4.31Å |
| 204 | G | 77.5 | Confident | 71.9 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -11.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | D54 R206 R220 C221 | D54-G204 WeakPolarHBondContact O-CA 3.49Å; G204-R206 PolarHBondContact O-N 2.02Å; G204-R220 PolarHBondContact O-NH1 3.25Å; G204-C221 PolarHBondContact N-O 3.39Å |
| 205 | T | 81.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -55.3 | 132.8 | 175.3 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | Y185 L194 L201 P202 Y203 R220 C221 W230 | Y185-T205 HydrophobicContact CD1-CG2 4.37Å; L194-T205 HydrophobicContact CD1-CG2 4.47Å; L201-T205 HydrophobicContact CB-CG2 4.37Å; L201-T205 HydrophobicContact CD2-CG2 4.35Å; P202-T205 WeakPolarHBondContact O-CB 3.3Å; P202-T205 PolarHBondContact O-N 2.63Å; P202-T205 VanDerWaalsContact O-N 3.12Å; P202-T205 PolarHBondContact O-OG1 3.12Å; Y203-T205 VanDerWaalsContact C-N 3.26Å; Y203-T205 PolarHBondContact O-N 3.21Å; T205-R220 WeakPolarHBondContact O-CA 3.44Å; T205-C221 PolarHBondContact O-N 2.84Å; T205-W230 HydrophobicContact CG2-CH2 4.18Å; T205-W230 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 206 | R | 85.6 | Confident | 73.5 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.8 | 174.8 | -178.2 | -179.7 | 179 | -91.1 | -7.4 | 109.4 | Y185 E186 G204 E215 S218 | Y185-R206 WeakPolarHBondContact CA-O 3.08Å; E186-R206 HydrophobicContact CB-CB 4.47Å; E186-R206 PolarHBondContact N-O 2.98Å; E186-R206 PolarHBondContact O-N 2.85Å; E186-R206 IonicContact OE2-NH1 3.19Å; E186-R206 PolarHBondContact OE2-NH1 3.45Å; G204-R206 PolarHBondContact O-N 2.02Å; R206-E215 IonicContact CZ-OE1 2.63Å; R206-E215 IonicContact NH1-OE1 2.6Å; R206-E215 PolarHBondContact NH1-OE1 2.97Å; R206-E215 IonicContact NH2-OE1 3.58Å; R206-E215 PolarHBondContact NH2-OE1 3.19Å; R206-E215 IonicContact NH2-OE2 2.87Å; R206-S218 VanDerWaalsContact NH2-CB 3.33Å |
| 207 | A | 86.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 105.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | L175 I183 Y185 S218 S219 W230 | L175-A207 HydrophobicContact CD2-CB 3.87Å; I183-A207 HydrophobicContact CG2-CB 3.8Å; Y185-A207 HydrophobicContact CD1-CB 3.82Å; Y185-A207 HydrophobicContact CE1-CB 3.75Å; A207-S218 CarbonylContact O-C 3.59Å; A207-S218 WeakPolarHBondContact O-CA 3.45Å; A207-S219 PolarHBondContact N-O 2.88Å; A207-S219 PolarHBondContact O-N 3.33Å; A207-W230 HydrophobicContact CB-CE3 4.02Å; A207-W230 HydrophobicContact CB-CH2 3.79Å; A207-W230 HydrophobicContact CB-CZ3 3.45Å; A207-W230 VanDerWaalsContact CB-CZ3 3.45Å |
| 208 | G | 86.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I183 V184 F210 E215 | I183-G208 WeakPolarHBondContact CA-O 3.02Å; V184-G208 PolarHBondContact N-O 3.46Å; V184-G208 PolarHBondContact O-N 2.88Å; G208-F210 WeakPolarHBondContact O-CD2 3.26Å; G208-E215 WeakPolarHBondContact CA-OE1 3.05Å |
| 209 | V | 85.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122 | -175.9 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | L175 L177 I183 E215 T216 T217 F236 | L175-V209 HydrophobicContact CD2-CG2 3.96Å; L177-V209 HydrophobicContact CD2-CG1 3.57Å; I183-V209 HydrophobicContact CG1-CG2 4.45Å; V209-E215 CarbonylContact O-C 3.55Å; V209-E215 WeakPolarHBondContact O-CA 3.45Å; V209-T216 PolarHBondContact O-N 2.71Å; V209-T216 PolarHBondContact O-OG1 3.04Å; V209-T217 HydrophobicContact CB-CG2 3.77Å; V209-T217 WeakPolarHBondContact CB-O 3.18Å; V209-T217 HydrophobicContact CG1-CG2 4.18Å; V209-T217 HydrophobicContact CG2-CG2 4.2Å; V209-T217 PolarHBondContact N-O 3.11Å; V209-F236 HydrophobicContact CG1-CB 3.74Å; V209-F236 HydrophobicContact CG1-CG 4.19Å; V209-F236 HydrophobicContact CG2-CD2 4.03Å; V209-F236 HydrophobicContact CG2-CE2 4.34Å; V209-F236 HydrophobicContact CG2-CG 4.26Å |
| 210 | F | 80 | Confident | 78.6 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113.5 | -177.3 | -62.6 | -104.9 | 0 | 0 | 0 | 110.6 | G181 R182 V184 G208 H214 E215 | G181-F210 CarbonylContact C-O 3.55Å; G181-F210 WeakPolarHBondContact CA-O 3.37Å; R182-F210 HydrophobicContact CG-CB 3.77Å; R182-F210 HydrophobicContact CG-CD2 4.35Å; R182-F210 HydrophobicContact CG-CG 4.28Å; R182-F210 PolarHBondContact N-O 2.86Å; R182-F210 PolarHBondContact O-N 2.84Å; V184-F210 HydrophobicContact CB-CD2 4.48Å; V184-F210 HydrophobicContact CB-CE2 3.89Å; V184-F210 HydrophobicContact CG2-CD2 3.9Å; V184-F210 HydrophobicContact CG2-CE2 3.59Å; V184-F210 HydrophobicContact CG2-CZ 4.42Å; G208-F210 WeakPolarHBondContact O-CD2 3.26Å; F210-H214 CarbonylContact C-O 3.52Å; F210-H214 WeakPolarHBondContact CA-O 3.3Å; F210-E215 HydrophobicContact CD1-CB 3.83Å; F210-E215 VanDerWaalsContact CD1-N 3.27Å; F210-E215 HydrophobicContact CE1-CB 3.54Å; F210-E215 HydrophobicContact CE1-CG 4.17Å; F210-E215 HydrophobicContact CE2-CB 4.46Å; F210-E215 HydrophobicContact CE2-CG 4.22Å; F210-E215 HydrophobicContact CG-CB 4.41Å; F210-E215 HydrophobicContact CZ-CB 3.87Å; F210-E215 HydrophobicContact CZ-CG 3.98Å |
| 211 | C | 75.6 | Confident | 79.2 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 14% | 0.142 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.7 | 172.2 | -41.7 | 0 | 0 | 0 | 0 | 108.8 | G213 H214 T216 C237 | C211-G213 PolarHBondContact O-N 2.85Å; C211-G213 VanDerWaalsContact O-N 3.15Å; C211-H214 PolarHBondContact N-O 2.57Å; C211-H214 VanDerWaalsContact N-O 3.07Å; C211-H214 PolarHBondContact O-N 2.95Å; C211-T216 HydrophobicContact CB-CG2 3.68Å; C211-T216 PolarHBondContact SG-OG1 2.02Å; C211-C237 HydrophobicContact CB-CB 3.77Å; C211-C237 WeakPolarHBondContact CB-SG 2.98Å; C211-C237 WeakPolarHBondContact SG-CA 2.98Å; C211-C237 WeakPolarHBondContact SG-CB 3.17Å; C211-C237 CovalentContact SG-SG 2.02Å; C211-C237 PolarHBondContact SG-SG 3.46Å |
| 212 | G | 67.1 | Low | 79.5 | Confident | 76 Ų | 76 | 41.2 Ų | 41.2 | 78% | 0.784 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 21.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 213 | G | 65.6 | Low | 79.7 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -9.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C211 | C211-G213 PolarHBondContact O-N 2.85Å; C211-G213 VanDerWaalsContact O-N 3.15Å |
| 214 | H | 70.4 | Confident | 79.5 | Confident | 147 Ų | 147 | 45.9 Ų | 45.9 | 68% | 0.681 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.6 | 176.3 | -64.2 | -83.1 | 0 | 0 | 0 | 111.3 | F210 C211 T216 | F210-H214 CarbonylContact C-O 3.52Å; F210-H214 WeakPolarHBondContact CA-O 3.3Å; C211-H214 PolarHBondContact N-O 2.57Å; C211-H214 VanDerWaalsContact N-O 3.07Å; C211-H214 PolarHBondContact O-N 2.95Å; H214-T216 PolarHBondContact O-N 2.95Å |
| 215 | E | 74.6 | Confident | 79.5 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 115.9 | 173.3 | -163.3 | 174.3 | -174.3 | 0 | 0 | 108.6 | R206 G208 V209 F210 | R206-E215 IonicContact CZ-OE1 2.63Å; R206-E215 IonicContact NH1-OE1 2.6Å; R206-E215 PolarHBondContact NH1-OE1 2.97Å; R206-E215 IonicContact NH2-OE1 3.58Å; R206-E215 PolarHBondContact NH2-OE1 3.19Å; R206-E215 IonicContact NH2-OE2 2.87Å; G208-E215 WeakPolarHBondContact CA-OE1 3.05Å; V209-E215 CarbonylContact O-C 3.55Å; V209-E215 WeakPolarHBondContact O-CA 3.45Å; F210-E215 HydrophobicContact CD1-CB 3.83Å; F210-E215 VanDerWaalsContact CD1-N 3.27Å; F210-E215 HydrophobicContact CE1-CB 3.54Å; F210-E215 HydrophobicContact CE1-CG 4.17Å; F210-E215 HydrophobicContact CE2-CB 4.46Å; F210-E215 HydrophobicContact CE2-CG 4.22Å; F210-E215 HydrophobicContact CG-CB 4.41Å; F210-E215 HydrophobicContact CZ-CB 3.87Å; F210-E215 HydrophobicContact CZ-CG 3.98Å |
| 216 | T | 69.6 | Low | 79 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -32 | -177.8 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | V209 C211 H214 | V209-T216 PolarHBondContact O-N 2.71Å; V209-T216 PolarHBondContact O-OG1 3.04Å; C211-T216 HydrophobicContact CB-CG2 3.68Å; C211-T216 PolarHBondContact SG-OG1 2.02Å; H214-T216 PolarHBondContact O-N 2.95Å |
| 217 | T | 76.5 | Confident | 78.5 | Confident | 48 Ų | 48 | 57 Ų | 57 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 168 | -175.8 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | V209 F236 | V209-T217 HydrophobicContact CB-CG2 3.77Å; V209-T217 WeakPolarHBondContact CB-O 3.18Å; V209-T217 HydrophobicContact CG1-CG2 4.18Å; V209-T217 HydrophobicContact CG2-CG2 4.2Å; V209-T217 PolarHBondContact N-O 3.11Å; T217-F236 HydrophobicContact CG2-CB 4.44Å; T217-F236 HydrophobicContact CG2-CD1 3.26Å; T217-F236 HydrophobicContact CG2-CE1 3.54Å; T217-F236 HydrophobicContact CG2-CG 3.98Å; T217-F236 HydrophobicContact CG2-CZ 4.47Å |
| 218 | S | 85.1 | Confident | 78.3 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 141.7 | 173.4 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | R206 A207 | R206-S218 VanDerWaalsContact NH2-CB 3.33Å; A207-S218 CarbonylContact O-C 3.59Å; A207-S218 WeakPolarHBondContact O-CA 3.45Å |
| 219 | S | 86.8 | Confident | 78.1 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.014 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 155.5 | 172.5 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | A207 W230 S231 P232 | A207-S219 PolarHBondContact N-O 2.88Å; A207-S219 PolarHBondContact O-N 3.33Å; S219-W230 WeakPolarHBondContact OG-CB 3.33Å; S219-S231 PolarHBondContact OG-N 3.2Å; S219-S231 PolarHBondContact OG-O 2.86Å; S219-P232 VanDerWaalsContact CB-O 3.31Å; S219-P232 WeakPolarHBondContact CB-O 3.32Å; S219-P232 PolarHBondContact OG-O 3.22Å |
| 220 | R | 87.1 | Confident | 78.1 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138 | 176.5 | -167.3 | 175.4 | -65.2 | -110.2 | 11.3 | 111.3 | D53 D54 G204 T205 K222 W230 S231 | D53-R220 WeakPolarHBondContact O-CD 3.28Å; D54-R220 IonicContact OD1-CZ 3.65Å; D54-R220 IonicContact OD1-NH1 3.62Å; D54-R220 PolarHBondContact OD1-NH1 2.88Å; D54-R220 IonicContact OD1-NH2 3.91Å; G204-R220 PolarHBondContact O-NH1 3.25Å; T205-R220 WeakPolarHBondContact O-CA 3.44Å; R220-K222 HydrophobicContact CB-CG 4.42Å; R220-K222 HydrophobicContact CG-CG 4.27Å; R220-K222 PolarHBondContact O-N 2.78Å; R220-W230 VanDerWaalsContact C-CE3 3.45Å; R220-S231 PolarHBondContact N-O 3.17Å; R220-S231 PolarHBondContact O-N 2.95Å |
| 221 | C | 85.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 112.2 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | C172 Y203 G204 T205 W230 | C172-C221 HydrophobicContact CB-CB 3.74Å; C172-C221 WeakPolarHBondContact CB-SG 3.21Å; C172-C221 PolarHBondContact N-SG 3.31Å; C172-C221 VanDerWaalsContact N-SG 3.39Å; C172-C221 WeakPolarHBondContact SG-CA 3Å; C172-C221 WeakPolarHBondContact SG-CB 3.35Å; C172-C221 CovalentContact SG-SG 2.02Å; C172-C221 PolarHBondContact SG-SG 3.08Å; Y203-C221 WeakPolarHBondContact CD2-O 3.48Å; G204-C221 PolarHBondContact N-O 3.39Å; T205-C221 PolarHBondContact O-N 2.84Å; C221-W230 HydrophobicContact CB-CE3 4.35Å; C221-W230 HydrophobicContact CB-CH2 4.18Å; C221-W230 HydrophobicContact CB-CZ3 4.09Å |
| 222 | K | 84.1 | Confident | 78.1 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 27% | 0.274 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 165.4 | -179.2 | -68.3 | -166.8 | 173.4 | -163.6 | 0 | 111.3 | D53 Y203 R220 Y228 A229 | D53-K222 IonicContact OD1-NZ 2.65Å; D53-K222 PolarHBondContact OD1-NZ 3.08Å; Y203-K222 HydrophobicContact CE2-CB 4.46Å; R220-K222 HydrophobicContact CB-CG 4.42Å; R220-K222 HydrophobicContact CG-CG 4.27Å; R220-K222 PolarHBondContact O-N 2.78Å; K222-Y228 WeakPolarHBondContact O-CA 3.44Å; K222-A229 PolarHBondContact N-O 2.82Å; K222-A229 PolarHBondContact O-N 2.91Å |
| 223 | E | 82.3 | Confident | 78.3 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.1 | 169.1 | -172.6 | -176.3 | 178.8 | 0 | 0 | 107.8 | Y203 A227 Y228 | Y203-E223 HydrophobicContact CE2-CB 4.41Å; E223-A227 CarbonylContact C-O 3.21Å; E223-A227 WeakPolarHBondContact CA-O 3.18Å; E223-Y228 HydrophobicContact CB-CD1 4.46Å; E223-Y228 HydrophobicContact CB-CE1 4.32Å |
| 224 | L | 76.4 | Confident | 78.6 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 114.4 | -178.8 | -67 | 173.6 | 0 | 0 | 0 | 107.3 | G226 A227 A229 | L224-G226 VanDerWaalsContact C-N 3.27Å; L224-G226 PolarHBondContact O-N 2.84Å; L224-A227 PolarHBondContact N-O 3.13Å; L224-A227 PolarHBondContact O-N 2.87Å; L224-A227 VanDerWaalsContact O-O 3.05Å; L224-A229 HydrophobicContact CD1-CB 3.97Å |
| 225 | D | 76.9 | Confident | 78.2 | Confident | 177 Ų | 177 | 61.2 Ų | 61.2 | 95% | 0.947 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 41.5 | 176.2 | -55.3 | -42.2 | 0 | 0 | 0 | 114.5 | A227 | D225-A227 VanDerWaalsContact C-N 3.31Å; D225-A227 PolarHBondContact O-N 3.43Å |
| 226 | G | 70.9 | Confident | 78 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 66% | 0.66 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 4.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L224 | L224-G226 VanDerWaalsContact C-N 3.27Å; L224-G226 PolarHBondContact O-N 2.84Å |
| 227 | A | 75.3 | Confident | 77.9 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 156.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E223 L224 D225 | E223-A227 CarbonylContact C-O 3.21Å; E223-A227 WeakPolarHBondContact CA-O 3.18Å; L224-A227 PolarHBondContact N-O 3.13Å; L224-A227 PolarHBondContact O-N 2.87Å; L224-A227 VanDerWaalsContact O-O 3.05Å; D225-A227 VanDerWaalsContact C-N 3.31Å; D225-A227 PolarHBondContact O-N 3.43Å |
| 228 | Y | 82.4 | Confident | 77.3 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115 | 177.4 | -64.5 | -92.3 | 0 | 0 | 0 | 110.1 | Q169 G170 Y203 K222 E223 | Q169-Y228 WeakPolarHBondContact O-CE1 3.46Å; G170-Y228 VanDerWaalsContact CA-CE2 3.43Å; G170-Y228 VanDerWaalsContact CA-CZ 3.49Å; Y203-Y228 AromaticContact CD2-CD1 3.89Å; Y203-Y228 HydrophobicContact CD2-CD1 3.89Å; Y203-Y228 HydrophobicContact CD2-CE1 4.01Å; Y203-Y228 HydrophobicContact CG-CD1 4.43Å; Y203-Y228 HydrophobicContact CG-CE1 4.31Å; K222-Y228 WeakPolarHBondContact O-CA 3.44Å; E223-Y228 HydrophobicContact CB-CD1 4.46Å; E223-Y228 HydrophobicContact CB-CE1 4.32Å |
| 229 | A | 82.4 | Confident | 75.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 168.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C172 K222 L224 | C172-A229 VanDerWaalsContact SG-C 3.59Å; C172-A229 PolarHBondContact SG-N 3.32Å; K222-A229 PolarHBondContact N-O 2.82Å; K222-A229 PolarHBondContact O-N 2.91Å; L224-A229 HydrophobicContact CD1-CB 3.97Å |
| 230 | W | 84.9 | Confident | 74.3 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 5% | 0.049 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 136.1 | -177.6 | -71.1 | 104.6 | 0 | 0 | 0 | 111.9 | C172 P173 L175 Y185 L201 T205 A207 S219 R220 C221 P232 P233 | C172-W230 HydrophobicContact CB-CD2 4.47Å; C172-W230 HydrophobicContact CB-CZ2 4.05Å; P173-W230 PolarHBondContact O-NE1 2.92Å; L175-W230 HydrophobicContact CB-CD2 4.1Å; L175-W230 HydrophobicContact CB-CG 4.25Å; L175-W230 HydrophobicContact CB-CZ2 4.27Å; L175-W230 HydrophobicContact CD1-CB 3.85Å; L175-W230 HydrophobicContact CD1-CD2 4.19Å; L175-W230 HydrophobicContact CD1-CG 3.62Å; L175-W230 HydrophobicContact CG-CG 4.46Å; Y185-W230 AromaticContact CD1-CH2 3.92Å; Y185-W230 HydrophobicContact CD1-CH2 3.92Å; Y185-W230 HydrophobicContact CD1-CZ2 4.29Å; Y185-W230 AromaticContact CE1-CH2 3.83Å; Y185-W230 HydrophobicContact CE1-CH2 3.83Å; Y185-W230 AromaticContact CE1-CZ2 3.8Å; Y185-W230 HydrophobicContact CE1-CZ2 3.8Å; L201-W230 HydrophobicContact CB-CZ2 4.37Å; L201-W230 HydrophobicContact CD1-CH2 4.08Å; L201-W230 HydrophobicContact CD1-CZ2 3.62Å; T205-W230 HydrophobicContact CG2-CH2 4.18Å; T205-W230 WeakPolarHBondContact O-CZ3 3.33Å; A207-W230 HydrophobicContact CB-CE3 4.02Å; A207-W230 HydrophobicContact CB-CH2 3.79Å; A207-W230 HydrophobicContact CB-CZ3 3.45Å; A207-W230 VanDerWaalsContact CB-CZ3 3.45Å; S219-W230 WeakPolarHBondContact OG-CB 3.33Å; R220-W230 VanDerWaalsContact C-CE3 3.45Å; C221-W230 HydrophobicContact CB-CE3 4.35Å; C221-W230 HydrophobicContact CB-CH2 4.18Å; C221-W230 HydrophobicContact CB-CZ3 4.09Å; W230-P232 CarbonylContact O-C 3.48Å; W230-P233 VanDerWaalsContact O-CA 3.26Å; W230-P233 WeakPolarHBondContact O-CA 3.26Å; W230-P233 WeakPolarHBondContact O-CB 3.35Å; W230-P233 WeakPolarHBondContact O-CD 3.48Å; W230-P233 VanDerWaalsContact O-N 3.14Å |
| 231 | S | 82 | Confident | 72.9 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 118.4 | 176.2 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | S219 R220 | S219-S231 PolarHBondContact OG-N 3.2Å; S219-S231 PolarHBondContact OG-O 2.86Å; R220-S231 PolarHBondContact N-O 3.17Å; R220-S231 PolarHBondContact O-N 2.95Å |
| 232 | P | 75.4 | Confident | 71.7 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | S | Bend | cis | -64.6 | 149.6 | -11.5 | 28.4 | -33.7 | 0 | 0 | 0 | 111.1 | S219 W230 G234 F236 | S219-P232 VanDerWaalsContact CB-O 3.31Å; S219-P232 WeakPolarHBondContact CB-O 3.32Å; S219-P232 PolarHBondContact OG-O 3.22Å; W230-P232 CarbonylContact O-C 3.48Å; P232-G234 VanDerWaalsContact C-N 3.27Å; P232-G234 PolarHBondContact O-N 2.91Å; P232-F236 HydrophobicContact CG-CE1 4.24Å; P232-F236 HydrophobicContact CG-CZ 4.15Å; P232-F236 WeakPolarHBondContact O-CZ 3.42Å |
| 233 | P | 70.8 | Confident | 71.1 | Confident | 88 Ų | 88 | 76.2 Ų | 76.2 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | trans | -74.4 | -14.9 | -177.4 | 27.4 | -33.9 | 0 | 0 | 0 | 114 | W230 | W230-P233 VanDerWaalsContact O-CA 3.26Å; W230-P233 WeakPolarHBondContact O-CA 3.26Å; W230-P233 WeakPolarHBondContact O-CB 3.35Å; W230-P233 WeakPolarHBondContact O-CD 3.48Å; W230-P233 VanDerWaalsContact O-N 3.14Å | ||
| 234 | G | 70.9 | Confident | 71 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 32% | 0.32 | 43% | 0.434 | S | S | . | . | trans | 113.9 | -167.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P232 F236 | P232-G234 VanDerWaalsContact C-N 3.27Å; P232-G234 PolarHBondContact O-N 2.91Å; G234-F236 VanDerWaalsContact CA-CE2 3.45Å; G234-F236 VanDerWaalsContact CA-CZ 3.48Å | ||
| 235 | P | 62.9 | Low | 71 | Confident | 79 Ų | 79 | 78 Ų | 78 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | cis | -74.2 | 153.6 | 3.5 | 31.5 | -37.6 | 0 | 0 | 0 | 114.2 | Q178 T238 | Q178-P235 HydrophobicContact CG-CB 4.24Å; P235-T238 HydrophobicContact CB-CG2 4.48Å; P235-T238 HydrophobicContact CG-CG2 4.42Å | ||
| 236 | F | 70 | Confident | 70.3 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 7% | 0.07 | 44% | 0.436 | C | S | . | . | trans | -123.5 | 149 | -179.8 | -52.6 | -60.2 | 0 | 0 | 0 | 111.9 | L175 L177 V209 T217 P232 G234 | L175-F236 HydrophobicContact CD1-CE2 3.98Å; L175-F236 HydrophobicContact CD2-CD2 3.98Å; L175-F236 HydrophobicContact CD2-CE2 3.67Å; L175-F236 HydrophobicContact CG-CE2 4.27Å; L177-F236 HydrophobicContact CD2-CB 4.2Å; V209-F236 HydrophobicContact CG1-CB 3.74Å; V209-F236 HydrophobicContact CG1-CG 4.19Å; V209-F236 HydrophobicContact CG2-CD2 4.03Å; V209-F236 HydrophobicContact CG2-CE2 4.34Å; V209-F236 HydrophobicContact CG2-CG 4.26Å; T217-F236 HydrophobicContact CG2-CB 4.44Å; T217-F236 HydrophobicContact CG2-CD1 3.26Å; T217-F236 HydrophobicContact CG2-CE1 3.54Å; T217-F236 HydrophobicContact CG2-CG 3.98Å; T217-F236 HydrophobicContact CG2-CZ 4.47Å; P232-F236 HydrophobicContact CG-CE1 4.24Å; P232-F236 HydrophobicContact CG-CZ 4.15Å; P232-F236 WeakPolarHBondContact O-CZ 3.42Å; G234-F236 VanDerWaalsContact CA-CE2 3.45Å; G234-F236 VanDerWaalsContact CA-CZ 3.48Å | ||
| 237 | C | 67.8 | Low | 69.8 | Low | 14 Ų | 14 | 76.2 Ų | 76.2 | 10% | 0.095 | 43% | 0.429 | C | S | . | . | trans | 61.8 | 54 | -179.7 | -49.4 | 0 | 0 | 0 | 0 | 114.8 | C211 L239 | C211-C237 HydrophobicContact CB-CB 3.77Å; C211-C237 WeakPolarHBondContact CB-SG 2.98Å; C211-C237 WeakPolarHBondContact SG-CA 2.98Å; C211-C237 WeakPolarHBondContact SG-CB 3.17Å; C211-C237 CovalentContact SG-SG 2.02Å; C211-C237 PolarHBondContact SG-SG 3.46Å; C237-L239 VanDerWaalsContact C-N 3.26Å; C237-L239 PolarHBondContact O-N 2.85Å | ||
| 238 | T | 63.2 | Low | 69.5 | Low | 108 Ų | 108 | 76.4 Ų | 76.4 | 66% | 0.663 | 42% | 0.423 | S | S | * | . | trans | -78.1 | 60.6 | -179.1 | 58 | 0 | 0 | 0 | 0 | 113.3 | P235 | P235-T238 HydrophobicContact CB-CG2 4.48Å; P235-T238 HydrophobicContact CG-CG2 4.42Å | ||
| 239 | L | 56 | Low | 69 | Low | 135 Ų | 135 | 73.5 Ų | 73.5 | 71% | 0.707 | 41% | 0.412 | S | S | * | . | trans | -122.4 | 111.9 | 173.3 | -73.6 | 167 | 0 | 0 | 0 | 111.1 | C237 | C237-L239 VanDerWaalsContact C-N 3.26Å; C237-L239 PolarHBondContact O-N 2.85Å | ||
| 240 | E | 54 | Low | 68.3 | Low | 187 Ų | 187 | 71.9 Ų | 71.9 | 87% | 0.874 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 60 | 132.4 | 170.5 | -63.6 | -171.4 | 158.2 | 0 | 0 | 119.5 | ||
| 241 | T | 57.3 | Low | 67.8 | Low | 117 Ų | 117 | 71.5 Ų | 71.5 | 72% | 0.718 | 40% | 0.398 | S | S | * | . | trans | 2 | 101.5 | -175.9 | 40.2 | 0 | 0 | 0 | 0 | 117.7 | N243 | T241-N243 PolarHBondContact O-N 2.81Š| ||
| 242 | Q | 60.6 | Low | 67.3 | Low | 63 Ų | 63 | 71.7 Ų | 71.7 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | trans | -51.6 | 132.6 | 168.3 | -65.4 | 174.5 | -11.1 | 0 | 0 | 110.7 | Q257 V262 | Q242-Q257 PolarHBondContact O-NE2 3.12Å; Q242-Q257 VanDerWaalsContact O-NE2 3.08Å; Q242-V262 HydrophobicContact CB-CB 4.18Å; Q242-V262 HydrophobicContact CB-CG2 3.65Å | ||
| 243 | N | 71.7 | Confident | 67.4 | Low | 64 Ų | 64 | 70.4 Ų | 70.4 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | trans | -136.7 | 142.8 | 177.7 | 68.8 | 70.6 | 0 | 0 | 0 | 111.4 | T241 Q245 K246 G249 Q257 | T241-N243 PolarHBondContact O-N 2.81Å; N243-Q245 PolarHBondContact O-N 3.39Å; N243-Q245 PolarHBondContact OD1-N 2.8Å; N243-K246 PolarHBondContact O-N 2.05Å; N243-K246 VanDerWaalsContact O-O 3.08Å; N243-K246 WeakPolarHBondContact OD1-CB 3.43Å; N243-K246 PolarHBondContact OD1-N 2.77Å; N243-G249 WeakPolarHBondContact O-CA 3.09Å; N243-G249 PolarHBondContact O-N 3.33Å; N243-Q257 VanDerWaalsContact CA-OE1 3.29Å | ||
| 244 | C | 78.4 | Confident | 68.1 | Low | 25 Ų | 25 | 71.1 Ų | 71.1 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.1 | -178.8 | -67.3 | 0 | 0 | 0 | 0 | 114.4 | K246 N248 C255 R256 Q257 | C244-K246 VanDerWaalsContact C-N 3.29Å; C244-N248 WeakPolarHBondContact O-CA 3.49Å; C244-C255 WeakPolarHBondContact CA-SG 3.47Å; C244-C255 HydrophobicContact CB-CB 3.74Å; C244-C255 WeakPolarHBondContact CB-SG 3.01Å; C244-C255 WeakPolarHBondContact SG-CB 3.22Å; C244-C255 CovalentContact SG-SG 2.04Å; C244-C255 PolarHBondContact SG-SG 2.92Å; C244-R256 PolarHBondContact SG-N 2.04Å; C244-R256 VanDerWaalsContact SG-N 3.38Å; C244-Q257 PolarHBondContact SG-N 2.85Å; C244-Q257 VanDerWaalsContact SG-N 3.42Å |
| 245 | Q | 77.3 | Confident | 68.8 | Low | 187 Ų | 187 | 71 Ų | 71 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.5 | -179.1 | -64.5 | -64.2 | -24.7 | 0 | 0 | 112.5 | N243 | N243-Q245 PolarHBondContact O-N 3.39Å; N243-Q245 PolarHBondContact OD1-N 2.8Å |
| 246 | K | 61.5 | Low | 70 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 47% | 0.47 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -111.8 | 118.1 | 179.1 | -170.6 | 176.7 | -177 | 175.1 | 0 | 109.1 | N243 C244 N248 G249 | N243-K246 PolarHBondContact O-N 2.05Å; N243-K246 VanDerWaalsContact O-O 3.08Å; N243-K246 WeakPolarHBondContact OD1-CB 3.43Å; N243-K246 PolarHBondContact OD1-N 2.77Å; C244-K246 VanDerWaalsContact C-N 3.29Å; K246-N248 PolarHBondContact O-N 3.24Å; K246-N248 VanDerWaalsContact O-N 3.13Å; K246-G249 PolarHBondContact O-N 2.65Å |
| 247 | D | 60.6 | Low | 70.8 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | 49.2 | 39 | 178.9 | -157.6 | 23.7 | 0 | 0 | 0 | 113.9 | L177 G249 G250 | L177-D247 VanDerWaalsContact O-OD2 3.11Å; D247-G249 PolarHBondContact O-N 2.89Å; D247-G250 PolarHBondContact O-N 3.38Å |
| 248 | N | 70.3 | Confident | 71.3 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | 51.5 | 30.2 | -176.3 | -161.7 | 36.6 | 0 | 0 | 0 | 113.6 | C244 K246 G250 C251 Q253 C255 | C244-N248 WeakPolarHBondContact O-CA 3.49Å; K246-N248 PolarHBondContact O-N 3.24Å; K246-N248 VanDerWaalsContact O-N 3.13Å; N248-G250 PolarHBondContact O-N 2.87Å; N248-G250 VanDerWaalsContact O-N 3.11Å; N248-C251 PolarHBondContact ND2-O 3.3Å; N248-C251 WeakPolarHBondContact O-CB 3.11Å; N248-C251 PolarHBondContact O-N 2.75Å; N248-Q253 PolarHBondContact ND2-O 3.29Å; N248-C255 WeakPolarHBondContact O-CB 3.29Å; N248-C255 PolarHBondContact O-SG 3.35Å; N248-C255 WeakPolarHBondContact OD1-CB 3.18Å |
| 249 | G | 70.8 | Confident | 71.9 | Confident | 3 Ų | 3 | 86.4 Ų | 86.4 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | 61.5 | 16.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N243 K246 D247 V262 | N243-G249 WeakPolarHBondContact O-CA 3.09Å; N243-G249 PolarHBondContact O-N 3.33Å; K246-G249 PolarHBondContact O-N 2.65Å; D247-G249 PolarHBondContact O-N 2.89Å; G249-V262 WeakPolarHBondContact O-CG1 3.08Å |
| 250 | G | 67.7 | Low | 72.5 | Confident | 3 Ų | 3 | 82.1 Ų | 82.1 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | 83.9 | 4.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D247 N248 | D247-G250 PolarHBondContact O-N 3.38Å; N248-G250 PolarHBondContact O-N 2.87Å; N248-G250 VanDerWaalsContact O-N 3.11Å |
| 251 | C | 74.7 | Confident | 73.4 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.034 | 39% | 0.388 | C | S | . | . | trans | -79.3 | 134.9 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | N248 Q253 C255 V262 C264 | N248-C251 PolarHBondContact ND2-O 3.3Å; N248-C251 WeakPolarHBondContact O-CB 3.11Å; N248-C251 PolarHBondContact O-N 2.75Å; C251-Q253 VanDerWaalsContact C-N 3.28Å; C251-Q253 PolarHBondContact O-N 2.83Å; C251-C255 HydrophobicContact CB-CB 4.01Å; C251-C255 VanDerWaalsContact SG-SG 3.68Å; C251-V262 VanDerWaalsContact SG-CG1 3.56Å; C251-C264 WeakPolarHBondContact CA-SG 3.36Å; C251-C264 HydrophobicContact CB-CB 3.63Å; C251-C264 WeakPolarHBondContact CB-SG 3.06Å; C251-C264 WeakPolarHBondContact SG-CA 3.35Å; C251-C264 WeakPolarHBondContact SG-CB 3.5Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 2.85Å | ||
| 252 | A | 72.1 | Confident | 74.4 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 44% | 0.438 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -64 | -30.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F277 C279 | A252-F277 WeakPolarHBondContact CB-O 3.37Å; A252-F277 PolarHBondContact N-O 2.93Å; A252-C279 HydrophobicContact CB-CB 4.35Å |
| 253 | Q | 77.8 | Confident | 75.5 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -130.7 | -82.2 | -177.3 | -64.2 | -176.4 | -5.4 | 0 | 0 | 113.1 | N248 C251 W270 C279 | N248-Q253 PolarHBondContact ND2-O 3.29Å; C251-Q253 VanDerWaalsContact C-N 3.28Å; C251-Q253 PolarHBondContact O-N 2.83Å; Q253-W270 VanDerWaalsContact NE2-CD2 3.25Å; Q253-C279 HydrophobicContact CG-CB 3.89Å |
| 254 | K | 85.3 | Confident | 76 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.8 | -176.2 | -58.5 | 173.7 | -179.4 | 170.5 | 0 | 110.5 | C264 S265 | K254-C264 CarbonylContact O-C 3.46Å; K254-C264 WeakPolarHBondContact O-CA 3.21Å; K254-S265 VanDerWaalsContact CB-O 3.31Å; K254-S265 WeakPolarHBondContact CB-O 3.49Å; K254-S265 WeakPolarHBondContact CB-OG 3.2Å; K254-S265 PolarHBondContact N-O 3.38Å; K254-S265 PolarHBondContact O-N 3.03Å |
| 255 | C | 84.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 73.9 Ų | 73.9 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.3 | 173.6 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | C244 N248 C251 V262 | C244-C255 WeakPolarHBondContact CA-SG 3.47Å; C244-C255 HydrophobicContact CB-CB 3.74Å; C244-C255 WeakPolarHBondContact CB-SG 3.01Å; C244-C255 WeakPolarHBondContact SG-CB 3.22Å; C244-C255 CovalentContact SG-SG 2.04Å; C244-C255 PolarHBondContact SG-SG 2.92Å; N248-C255 WeakPolarHBondContact O-CB 3.29Å; N248-C255 PolarHBondContact O-SG 3.35Å; N248-C255 WeakPolarHBondContact OD1-CB 3.18Å; C251-C255 HydrophobicContact CB-CB 4.01Å; C251-C255 VanDerWaalsContact SG-SG 3.68Å; C255-V262 WeakPolarHBondContact SG-CG1 3.37Å |
| 256 | R | 89.3 | Confident | 77 | Confident | 156 Ų | 156 | 66 Ų | 66 | 59% | 0.589 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.1 | 169.6 | -174.3 | 176.8 | 68.8 | 176.2 | 1.8 | 110.4 | C244 R263 | C244-R256 PolarHBondContact SG-N 2.04Å; C244-R256 VanDerWaalsContact SG-N 3.38Å; R256-R263 PolarHBondContact N-O 3.13Å; R256-R263 PolarHBondContact O-N 3.2Å |
| 257 | Q | 85.8 | Confident | 78.2 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.5 | 171.1 | -156.4 | 77.3 | 34.4 | 0 | 0 | 109.3 | Q242 N243 C244 G260 | Q242-Q257 PolarHBondContact O-NE2 3.12Å; Q242-Q257 VanDerWaalsContact O-NE2 3.08Å; N243-Q257 VanDerWaalsContact CA-OE1 3.29Å; C244-Q257 PolarHBondContact SG-N 2.85Å; C244-Q257 VanDerWaalsContact SG-N 3.42Å; Q257-G260 PolarHBondContact NE2-O 2.97Å |
| 258 | D | 78.8 | Confident | 79.2 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 107.1 | 178 | -176.3 | 26.2 | 0 | 0 | 0 | 110.1 | G260 A261 R263 | D258-G260 PolarHBondContact O-N 2.85Å; D258-G260 VanDerWaalsContact O-N 3.13Å; D258-A261 PolarHBondContact N-O 2.94Å; D258-A261 PolarHBondContact O-N 2.95Å; D258-R263 HydrophobicContact CB-CG 4.21Å; D258-R263 IonicContact OD2-CZ 3.66Å; D258-R263 IonicContact OD2-NE 3.39Å; D258-R263 PolarHBondContact OD2-NE 2.89Å; D258-R263 IonicContact OD2-NH2 2.98Å |
| 259 | R | 75.6 | Confident | 79.4 | Confident | 251 Ų | 251 | 71.1 Ų | 71.1 | 95% | 0.947 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 38 | 179.2 | -58.9 | -178.9 | -178 | 179.1 | 0.2 | 114.5 | A261 | R259-A261 VanDerWaalsContact C-N 3.32Š|
| 260 | G | 68.6 | Low | 79.9 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q257 D258 | Q257-G260 PolarHBondContact NE2-O 2.97Å; D258-G260 PolarHBondContact O-N 2.85Å; D258-G260 VanDerWaalsContact O-N 3.13Å |
| 261 | A | 73.4 | Confident | 80.6 | Confident | 54 Ų | 54 | 79 Ų | 79 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 150.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D258 R259 | D258-A261 PolarHBondContact N-O 2.94Å; D258-A261 PolarHBondContact O-N 2.95Å; R259-A261 VanDerWaalsContact C-N 3.32Å |
| 262 | V | 77.3 | Confident | 81 | Confident | 18 Ų | 18 | 82.1 Ų | 82.1 | 11% | 0.109 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134.2 | 169.9 | 166 | 0 | 0 | 0 | 0 | 109.3 | Q242 G249 C251 C255 | Q242-V262 HydrophobicContact CB-CB 4.18Å; Q242-V262 HydrophobicContact CB-CG2 3.65Å; G249-V262 WeakPolarHBondContact O-CG1 3.08Å; C251-V262 VanDerWaalsContact SG-CG1 3.56Å; C255-V262 WeakPolarHBondContact SG-CG1 3.37Å |
| 263 | R | 83.7 | Confident | 81 | Confident | 140 Ų | 140 | 80.1 Ų | 80.1 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.7 | 168.5 | -70.5 | -171.7 | -178.3 | -86.5 | 1 | 109.8 | R256 D258 | R256-R263 PolarHBondContact N-O 3.13Å; R256-R263 PolarHBondContact O-N 3.2Å; D258-R263 HydrophobicContact CB-CG 4.21Å; D258-R263 IonicContact OD2-CZ 3.66Å; D258-R263 IonicContact OD2-NE 3.39Å; D258-R263 PolarHBondContact OD2-NE 2.89Å; D258-R263 IonicContact OD2-NH2 2.98Å |
| 264 | C | 83.1 | Confident | 80.7 | Confident | 16 Ų | 16 | 87.5 Ų | 87.5 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 150 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.6 | C251 K254 L272 G276 F277 | C251-C264 WeakPolarHBondContact CA-SG 3.36Å; C251-C264 HydrophobicContact CB-CB 3.63Å; C251-C264 WeakPolarHBondContact CB-SG 3.06Å; C251-C264 WeakPolarHBondContact SG-CA 3.35Å; C251-C264 WeakPolarHBondContact SG-CB 3.5Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 2.85Å; K254-C264 CarbonylContact O-C 3.46Å; K254-C264 WeakPolarHBondContact O-CA 3.21Å; C264-L272 HydrophobicContact CB-CD1 3.83Å; C264-G276 WeakPolarHBondContact CB-O 3.17Å; C264-F277 WeakPolarHBondContact SG-CD1 3.43Å |
| 265 | S | 89.5 | Confident | 79.4 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 38% | 0.378 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159.7 | 172.2 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | K254 | K254-S265 VanDerWaalsContact CB-O 3.31Å; K254-S265 WeakPolarHBondContact CB-O 3.49Å; K254-S265 WeakPolarHBondContact CB-OG 3.2Å; K254-S265 PolarHBondContact N-O 3.38Å; K254-S265 PolarHBondContact O-N 3.03Å |
| 266 | C | 87.1 | Confident | 78.7 | Confident | 23 Ų | 23 | 86.3 Ų | 86.3 | 16% | 0.155 | 42% | 0.424 | C | S | . | . | trans | -107.4 | 163.1 | -175.3 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | W270 E271 C279 | C266-W270 HydrophobicContact CB-CB 3.71Å; C266-W270 WeakPolarHBondContact CB-O 3.36Å; C266-E271 VanDerWaalsContact SG-C 3.58Å; C266-C279 WeakPolarHBondContact CA-SG 3.42Å; C266-C279 HydrophobicContact CB-CB 3.87Å; C266-C279 WeakPolarHBondContact CB-SG 3.43Å; C266-C279 VanDerWaalsContact SG-CA 3.55Å; C266-C279 WeakPolarHBondContact SG-CB 3.43Å; C266-C279 CovalentContact SG-SG 2.04Å; C266-C279 PolarHBondContact SG-SG 3.09Å | ||
| 267 | R | 86.8 | Confident | 77.6 | Confident | 158 Ų | 158 | 80.5 Ų | 80.5 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | trans | -73.8 | 163.9 | 169.9 | -63.1 | 175.4 | -173.5 | -166.5 | 3 | 108.9 | G269 W270 | R267-G269 PolarHBondContact O-N 2.04Å; R267-W270 WeakPolarHBondContact O-CB 3.02Å; R267-W270 PolarHBondContact O-N 3.42Å; R267-W270 VanDerWaalsContact O-N 3.15Å | ||
| 268 | E | 82.2 | Confident | 76.9 | Confident | 195 Ų | 195 | 79.2 Ų | 79.2 | 91% | 0.911 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 138.8 | 176.5 | -167.7 | 173.3 | -175.8 | 0 | 0 | 110.6 | ||
| 269 | G | 73.3 | Confident | 76.8 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 4.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R267 M282 | R267-G269 PolarHBondContact O-N 2.04Å; G269-M282 PolarHBondContact O-N 2.86Å |
| 270 | W | 80.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.8 | 179.9 | -62.7 | 71.7 | 0 | 0 | 0 | 111.2 | Q253 C266 R267 C279 R280 M281 | Q253-W270 VanDerWaalsContact NE2-CD2 3.25Å; C266-W270 HydrophobicContact CB-CB 3.71Å; C266-W270 WeakPolarHBondContact CB-O 3.36Å; R267-W270 WeakPolarHBondContact O-CB 3.02Å; R267-W270 PolarHBondContact O-N 3.42Å; R267-W270 VanDerWaalsContact O-N 3.15Å; W270-C279 HydrophobicContact CB-CB 4.37Å; W270-C279 HydrophobicContact CE3-CB 4.09Å; W270-C279 WeakPolarHBondContact CZ3-O 3.03Å; W270-R280 CarbonylContact C-O 3.52Å; W270-R280 VanDerWaalsContact CA-O 3.27Å; W270-R280 WeakPolarHBondContact CA-O 3.31Å; W270-M281 HydrophobicContact CD2-CB 4.17Å; W270-M281 HydrophobicContact CE3-CB 4.1Å; W270-M281 HydrophobicContact CH2-CB 4.2Å; W270-M281 HydrophobicContact CH2-CE 3.91Å; W270-M281 HydrophobicContact CZ2-CB 4.3Å; W270-M281 HydrophobicContact CZ2-CE 3.37Å; W270-M281 HydrophobicContact CZ3-CB 4.11Å |
| 271 | E | 82.6 | Confident | 76.8 | Confident | 77 Ų | 77 | 73.9 Ų | 73.9 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148 | 176.2 | 63.1 | 178.3 | -175.4 | 0 | 0 | 111.7 | C266 C279 R280 M282 | C266-E271 VanDerWaalsContact SG-C 3.58Å; E271-C279 CarbonylContact O-C 3.58Å; E271-C279 WeakPolarHBondContact O-CA 3.34Å; E271-R280 HydrophobicContact CG-CG 3.48Å; E271-R280 VanDerWaalsContact CG-CG 3.48Å; E271-R280 PolarHBondContact N-O 2.87Å; E271-R280 PolarHBondContact O-N 2.9Å; E271-R280 IonicContact OE1-CZ 2.79Å; E271-R280 IonicContact OE1-NE 2.65Å; E271-R280 PolarHBondContact OE1-NE 3.29Å; E271-R280 IonicContact OE1-NH2 2.83Å; E271-R280 PolarHBondContact OE1-NH2 3.32Å; E271-R280 IonicContact OE2-NH2 2.72Å; E271-M282 HydrophobicContact CB-CG 3.8Å; E271-M282 HydrophobicContact CG-CG 3.98Å |
| 272 | L | 82.9 | Confident | 76.7 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.9 | 179.2 | -167.6 | 72.3 | 0 | 0 | 0 | 109 | C264 S278 | C264-L272 HydrophobicContact CB-CD1 3.83Å; L272-S278 CarbonylContact C-O 3.59Å; L272-S278 WeakPolarHBondContact CA-O 3.13Å |
| 273 | G | 71.8 | Confident | 76.2 | Confident | 12 Ų | 12 | 79.1 Ų | 79.1 | 12% | 0.124 | 39% | 0.39 | C | S | . | . | trans | -66.9 | 166.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D275 G276 S278 | G273-D275 PolarHBondContact O-N 3.32Å; G273-G276 PolarHBondContact O-N 3.22Å; G273-S278 PolarHBondContact N-O 3.21Å | ||
| 274 | E | 71.6 | Confident | 75.6 | Confident | 192 Ų | 192 | 75.9 Ų | 75.9 | 90% | 0.897 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.1 | -178.3 | -62 | -172.6 | 171.1 | 0 | 0 | 113.5 | G276 | E274-G276 PolarHBondContact O-N 3.07Š|
| 275 | D | 58.9 | Low | 75.1 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -19.2 | 172.8 | 65 | 0.9 | 0 | 0 | 0 | 112.5 | G273 F277 S278 | G273-D275 PolarHBondContact O-N 3.32Å; D275-F277 VanDerWaalsContact C-N 3.3Å; D275-F277 WeakPolarHBondContact O-CD2 3.32Å; D275-F277 WeakPolarHBondContact O-CE2 3.36Å; D275-F277 PolarHBondContact OD1-N 3.27Å; D275-S278 WeakPolarHBondContact OD1-CB 3.02Å; D275-S278 PolarHBondContact OD1-N 2.95Å; D275-S278 WeakPolarHBondContact OD2-CB 3.38Å; D275-S278 PolarHBondContact OD2-N 3.03Å; D275-S278 PolarHBondContact OD2-OG 3.19Å |
| 276 | G | 70.5 | Confident | 74.4 | Confident | 28 Ų | 28 | 82.6 Ų | 82.6 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 79.8 | 8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C264 G273 E274 | C264-G276 WeakPolarHBondContact CB-O 3.17Å; G273-G276 PolarHBondContact O-N 3.22Å; E274-G276 PolarHBondContact O-N 3.07Å |
| 277 | F | 66.4 | Low | 73.6 | Confident | 34 Ų | 34 | 87.3 Ų | 87.3 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -130.6 | -37.3 | -174.9 | -64.7 | -86 | 0 | 0 | 0 | 113.3 | Q178 A252 C264 D275 | Q178-F277 VanDerWaalsContact NE2-CG 3.3Å; Q178-F277 VanDerWaalsContact NE2-CZ 3.34Å; A252-F277 WeakPolarHBondContact CB-O 3.37Å; A252-F277 PolarHBondContact N-O 2.93Å; C264-F277 WeakPolarHBondContact SG-CD1 3.43Å; D275-F277 VanDerWaalsContact C-N 3.3Å; D275-F277 WeakPolarHBondContact O-CD2 3.32Å; D275-F277 WeakPolarHBondContact O-CE2 3.36Å; D275-F277 PolarHBondContact OD1-N 3.27Å |
| 278 | S | 70.4 | Confident | 73.1 | Confident | 56 Ų | 56 | 87 Ų | 87 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | trans | -80.9 | 141.4 | -177.8 | -65 | 0 | 0 | 0 | 0 | 110.9 | L272 G273 D275 | L272-S278 CarbonylContact C-O 3.59Å; L272-S278 WeakPolarHBondContact CA-O 3.13Å; G273-S278 PolarHBondContact N-O 3.21Å; D275-S278 WeakPolarHBondContact OD1-CB 3.02Å; D275-S278 PolarHBondContact OD1-N 2.95Å; D275-S278 WeakPolarHBondContact OD2-CB 3.38Å; D275-S278 PolarHBondContact OD2-N 3.03Å; D275-S278 PolarHBondContact OD2-OG 3.19Å | ||
| 279 | C | 77.1 | Confident | 73.1 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.4 | 170 | -69.2 | 0 | 0 | 0 | 0 | 108.2 | A252 Q253 C266 W270 E271 | A252-C279 HydrophobicContact CB-CB 4.35Å; Q253-C279 HydrophobicContact CG-CB 3.89Å; C266-C279 WeakPolarHBondContact CA-SG 3.42Å; C266-C279 HydrophobicContact CB-CB 3.87Å; C266-C279 WeakPolarHBondContact CB-SG 3.43Å; C266-C279 VanDerWaalsContact SG-CA 3.55Å; C266-C279 WeakPolarHBondContact SG-CB 3.43Å; C266-C279 CovalentContact SG-SG 2.04Å; C266-C279 PolarHBondContact SG-SG 3.09Å; W270-C279 HydrophobicContact CB-CB 4.37Å; W270-C279 HydrophobicContact CE3-CB 4.09Å; W270-C279 WeakPolarHBondContact CZ3-O 3.03Å; E271-C279 CarbonylContact O-C 3.58Å; E271-C279 WeakPolarHBondContact O-CA 3.34Å |
| 280 | R | 74.9 | Confident | 73.5 | Confident | 127 Ų | 127 | 79 Ų | 79 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.1 | 170.4 | 62.7 | -170.2 | -171.5 | -158.2 | -0.6 | 109.1 | W270 E271 M282 | W270-R280 CarbonylContact C-O 3.52Å; W270-R280 VanDerWaalsContact CA-O 3.27Å; W270-R280 WeakPolarHBondContact CA-O 3.31Å; E271-R280 HydrophobicContact CG-CG 3.48Å; E271-R280 VanDerWaalsContact CG-CG 3.48Å; E271-R280 PolarHBondContact N-O 2.87Å; E271-R280 PolarHBondContact O-N 2.9Å; E271-R280 IonicContact OE1-CZ 2.79Å; E271-R280 IonicContact OE1-NE 2.65Å; E271-R280 PolarHBondContact OE1-NE 3.29Å; E271-R280 IonicContact OE1-NH2 2.83Å; E271-R280 PolarHBondContact OE1-NH2 3.32Å; E271-R280 IonicContact OE2-NH2 2.72Å; R280-M282 PolarHBondContact O-N 2.78Å |
| 281 | M | 68.6 | Low | 73.7 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 44% | 0.443 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.7 | 175.5 | -170.8 | 174.8 | -71.5 | 0 | 0 | 107 | W270 D283 M296 | W270-M281 HydrophobicContact CD2-CB 4.17Å; W270-M281 HydrophobicContact CE3-CB 4.1Å; W270-M281 HydrophobicContact CH2-CB 4.2Å; W270-M281 HydrophobicContact CH2-CE 3.91Å; W270-M281 HydrophobicContact CZ2-CB 4.3Å; W270-M281 HydrophobicContact CZ2-CE 3.37Å; W270-M281 HydrophobicContact CZ3-CB 4.11Å; M281-D283 PolarHBondContact O-N 3.15Å; M281-M296 HydrophobicContact CG-CE 4.24Å; M281-M296 HydrophobicContact SD-CE 3.31Å; M281-M296 WeakPolarHBondContact SD-CE 3.49Å |
| 282 | M | 71.4 | Confident | 73.8 | Confident | 73 Ų | 73 | 80 Ų | 80 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 131.2 | 171.1 | -77.5 | -171.3 | -75.1 | 0 | 0 | 106.9 | G269 E271 R280 L284 | G269-M282 PolarHBondContact O-N 2.86Å; E271-M282 HydrophobicContact CB-CG 3.8Å; E271-M282 HydrophobicContact CG-CG 3.98Å; R280-M282 PolarHBondContact O-N 2.78Å; M282-L284 WeakPolarHBondContact O-CG 3.27Å; M282-L284 PolarHBondContact O-N 3.49Å |
| 283 | D | 67.6 | Low | 73.8 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | trans | -66.1 | 101.4 | 174.7 | -171.9 | 2.1 | 0 | 0 | 0 | 108.7 | M281 C285 | M281-D283 PolarHBondContact O-N 3.15Å; D283-C285 VanDerWaalsContact C-N 3.32Å; D283-C285 WeakPolarHBondContact OD1-CA 3.47Å; D283-C285 WeakPolarHBondContact OD1-CB 3.31Å; D283-C285 PolarHBondContact OD1-N 2.99Å | ||
| 284 | L | 69.6 | Low | 74.4 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 38% | 0.377 | 42% | 0.423 | S | S | . | . | trans | -84.9 | -11.1 | 176.6 | -61.4 | 178.3 | 0 | 0 | 0 | 111 | M282 R286 T289 M296 V301 | M282-L284 WeakPolarHBondContact O-CG 3.27Å; M282-L284 PolarHBondContact O-N 3.49Å; L284-R286 VanDerWaalsContact C-N 3.28Å; L284-R286 PolarHBondContact O-N 2.87Å; L284-T289 WeakPolarHBondContact O-CG2 3.36Å; L284-T289 PolarHBondContact O-OG1 3.27Å; L284-M296 HydrophobicContact CB-CE 4.03Å; L284-M296 HydrophobicContact CB-SD 4.28Å; L284-M296 HydrophobicContact CD1-CE 4.08Å; L284-M296 HydrophobicContact CG-CE 4.26Å; L284-V301 HydrophobicContact CB-CG2 3.25Å; L284-V301 HydrophobicContact CD1-CG2 4.05Å; L284-V301 HydrophobicContact CG-CG2 4.27Å | ||
| 285 | C | 72.8 | Confident | 74.8 | Confident | 34 Ų | 34 | 74 Ų | 74 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | trans | -89.3 | 56.7 | 176.5 | -74.1 | 0 | 0 | 0 | 0 | 111.7 | D283 C294 M296 | D283-C285 VanDerWaalsContact C-N 3.32Å; D283-C285 WeakPolarHBondContact OD1-CA 3.47Å; D283-C285 WeakPolarHBondContact OD1-CB 3.31Å; D283-C285 PolarHBondContact OD1-N 2.99Å; C285-C294 WeakPolarHBondContact CA-SG 3.48Å; C285-C294 HydrophobicContact CB-CB 3.69Å; C285-C294 WeakPolarHBondContact CB-SG 3.39Å; C285-C294 WeakPolarHBondContact SG-CB 3.26Å; C285-C294 CovalentContact SG-SG 2.04Å; C285-C294 PolarHBondContact SG-SG 3.28Å; C285-M296 VanDerWaalsContact SG-SD 3.64Å | ||
| 286 | R | 74.5 | Confident | 75.3 | Confident | 178 Ų | 178 | 74.1 Ų | 74.1 | 67% | 0.672 | 39% | 0.393 | S | S | * | . | trans | -65.2 | 160.4 | 170.9 | -67.4 | -174.3 | 178.2 | 172.7 | -1.2 | 110.9 | L284 D288 T289 | L284-R286 VanDerWaalsContact C-N 3.28Å; L284-R286 PolarHBondContact O-N 2.87Å; R286-D288 PolarHBondContact O-N 2.83Å; R286-T289 PolarHBondContact N-OG1 3.47Å; R286-T289 VanDerWaalsContact N-OG1 3.09Å; R286-T289 WeakPolarHBondContact O-CB 3.11Å; R286-T289 PolarHBondContact O-N 2.87Å; R286-T289 PolarHBondContact O-OG1 2.04Å | ||
| 287 | P | 71.4 | Confident | 75 | Confident | 121 Ų | 121 | 75 Ų | 75 | 79% | 0.786 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.2 | 179.7 | -26.9 | 34.8 | 0 | 0 | 0 | 114 | ||
| 288 | D | 76.8 | Confident | 74.7 | Confident | 152 Ų | 152 | 83.7 Ų | 83.7 | 81% | 0.813 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 3.7 | -177.8 | -51.8 | -46.8 | 0 | 0 | 0 | 113.8 | R286 | R286-D288 PolarHBondContact O-N 2.83Š|
| 289 | T | 80.4 | Confident | 74.2 | Confident | 30 Ų | 30 | 86.5 Ų | 86.5 | 18% | 0.184 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -77.4 | -38.4 | -174.2 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | L284 R286 V301 Q316 | L284-T289 WeakPolarHBondContact O-CG2 3.36Å; L284-T289 PolarHBondContact O-OG1 3.27Å; R286-T289 PolarHBondContact N-OG1 3.47Å; R286-T289 VanDerWaalsContact N-OG1 3.09Å; R286-T289 WeakPolarHBondContact O-CB 3.11Å; R286-T289 PolarHBondContact O-N 2.87Å; R286-T289 PolarHBondContact O-OG1 2.04Å; T289-V301 HydrophobicContact CG2-CG1 3.7Å; T289-Q316 PolarHBondContact O-NE2 2.79Å |
| 290 | C | 83.4 | Confident | 73.9 | Confident | 16 Ų | 16 | 87 Ų | 87 | 11% | 0.108 | 48% | 0.478 | C | S | . | . | trans | -138.7 | 147.9 | -179.2 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | H292 C294 C303 | C290-H292 VanDerWaalsContact C-N 3.32Å; C290-H292 PolarHBondContact O-N 3.27Å; C290-C294 HydrophobicContact CB-CB 4.22Å; C290-C294 VanDerWaalsContact SG-CB 3.59Å; C290-C303 VanDerWaalsContact CA-SG 3.54Å; C290-C303 HydrophobicContact CB-CB 3.7Å; C290-C303 WeakPolarHBondContact CB-SG 3.47Å; C290-C303 WeakPolarHBondContact SG-CA 3.4Å; C290-C303 WeakPolarHBondContact SG-CB 3.09Å; C290-C303 CovalentContact SG-SG 2.02Å; C290-C303 PolarHBondContact SG-SG 2.65Å | ||
| 291 | E | 83.6 | Confident | 74 | Confident | 101 Ų | 101 | 83.6 Ų | 83.6 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -67.3 | -33.3 | 175.2 | -170.9 | -174.5 | 161 | 0 | 0 | 112.7 | Q316 N317 C318 | E291-Q316 PolarHBondContact N-O 3.41Å; E291-N317 WeakPolarHBondContact OE2-CA 3.07Å; E291-N317 VanDerWaalsContact OE2-CB 3.26Å; E291-N317 WeakPolarHBondContact OE2-CB 3.03Å; E291-C318 PolarHBondContact OE2-N 3.13Å |
| 292 | H | 84.4 | Confident | 74.7 | Confident | 90 Ų | 90 | 82.3 Ų | 82.3 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -124.7 | -97 | -176.7 | -70.9 | 84.4 | 0 | 0 | 0 | 112.6 | C290 P306 | C290-H292 VanDerWaalsContact C-N 3.32Å; C290-H292 PolarHBondContact O-N 3.27Å; H292-P306 HydrophobicContact CB-CG 4.35Å; H292-P306 WeakPolarHBondContact CD2-CG 3.36Å |
| 293 | S | 83.7 | Confident | 75.4 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 44% | 0.441 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.7 | -175.2 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | C303 R304 | S293-C303 CarbonylContact O-C 3.56Å; S293-C303 WeakPolarHBondContact O-CA 3.01Å; S293-R304 WeakPolarHBondContact CB-O 3.36Å; S293-R304 PolarHBondContact N-O 2.03Å; S293-R304 PolarHBondContact O-N 3.43Å |
| 294 | C | 83.8 | Confident | 76.4 | Confident | 38 Ų | 38 | 81.5 Ų | 81.5 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.3 | 171.5 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | C285 C290 V301 | C285-C294 WeakPolarHBondContact CA-SG 3.48Å; C285-C294 HydrophobicContact CB-CB 3.69Å; C285-C294 WeakPolarHBondContact CB-SG 3.39Å; C285-C294 WeakPolarHBondContact SG-CB 3.26Å; C285-C294 CovalentContact SG-SG 2.04Å; C285-C294 PolarHBondContact SG-SG 3.28Å; C290-C294 HydrophobicContact CB-CB 4.22Å; C290-C294 VanDerWaalsContact SG-CB 3.59Å; C294-V301 WeakPolarHBondContact SG-CG1 3.33Å |
| 295 | V | 81.6 | Confident | 77.4 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.2 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | S302 R304 | V295-S302 VanDerWaalsContact CG2-O 3.23Å; V295-S302 WeakPolarHBondContact CG2-O 3.46Å; V295-S302 PolarHBondContact N-O 3.17Å; V295-S302 PolarHBondContact O-N 3.17Å; V295-R304 VanDerWaalsContact CG1-NH2 3.34Å |
| 296 | M | 69.2 | Low | 78 | Confident | 80 Ų | 80 | 80 Ų | 80 | 39% | 0.394 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.4 | 177.7 | -60.9 | -59.8 | -74.3 | 0 | 0 | 109.7 | M281 L284 C285 V301 | M281-M296 HydrophobicContact CG-CE 4.24Å; M281-M296 HydrophobicContact SD-CE 3.31Å; M281-M296 WeakPolarHBondContact SD-CE 3.49Å; L284-M296 HydrophobicContact CB-CE 4.03Å; L284-M296 HydrophobicContact CB-SD 4.28Å; L284-M296 HydrophobicContact CD1-CE 4.08Å; L284-M296 HydrophobicContact CG-CE 4.26Å; C285-M296 VanDerWaalsContact SG-SD 3.64Å; M296-V301 HydrophobicContact CE-CG2 4.32Å; M296-V301 HydrophobicContact SD-CG2 3.7Å |
| 297 | G | 64.6 | Low | 78.7 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 175.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A299 G300 | G297-A299 PolarHBondContact O-N 2.68Å; G297-G300 PolarHBondContact N-O 3.13Å; G297-G300 PolarHBondContact O-N 3.06Å |
| 298 | E | 59.8 | Low | 79.3 | Confident | 217 Ų | 217 | 72.5 Ų | 72.5 | 100% | 1.014 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.3 | -179.5 | -65.6 | -170.7 | 157.5 | 0 | 0 | 113.6 | ||
| 299 | A | 59.9 | Low | 80 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 94% | 0.942 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G297 | G297-A299 PolarHBondContact O-N 2.68Š|
| 300 | G | 70.4 | Confident | 80.5 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.7 | -150.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | G297 | G297-G300 PolarHBondContact N-O 3.13Å; G297-G300 PolarHBondContact O-N 3.06Å |
| 301 | V | 77.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 33% | 0.327 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.4 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 111 | L284 T289 C294 M296 | L284-V301 HydrophobicContact CB-CG2 3.25Å; L284-V301 HydrophobicContact CD1-CG2 4.05Å; L284-V301 HydrophobicContact CG-CG2 4.27Å; T289-V301 HydrophobicContact CG2-CG1 3.7Å; C294-V301 WeakPolarHBondContact SG-CG1 3.33Å; M296-V301 HydrophobicContact CE-CG2 4.32Å; M296-V301 HydrophobicContact SD-CG2 3.7Å |
| 302 | S | 82.5 | Confident | 80.9 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.1 | 168 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | V295 | V295-S302 VanDerWaalsContact CG2-O 3.23Å; V295-S302 WeakPolarHBondContact CG2-O 3.46Å; V295-S302 PolarHBondContact N-O 3.17Å; V295-S302 PolarHBondContact O-N 3.17Å |
| 303 | C | 86.8 | Confident | 81 | Confident | 13 Ų | 13 | 78.5 Ų | 78.5 | 9% | 0.088 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 145.3 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 111 | C290 S293 L311 Q315 | C290-C303 VanDerWaalsContact CA-SG 3.54Å; C290-C303 HydrophobicContact CB-CB 3.7Å; C290-C303 WeakPolarHBondContact CB-SG 3.47Å; C290-C303 WeakPolarHBondContact SG-CA 3.4Å; C290-C303 WeakPolarHBondContact SG-CB 3.09Å; C290-C303 CovalentContact SG-SG 2.02Å; C290-C303 PolarHBondContact SG-SG 2.65Å; S293-C303 CarbonylContact O-C 3.56Å; S293-C303 WeakPolarHBondContact O-CA 3.01Å; C303-L311 HydrophobicContact CB-CD1 3.87Å; C303-L311 WeakPolarHBondContact O-CD1 3.32Å; C303-Q315 WeakPolarHBondContact CB-O 3.09Å; C303-Q315 PolarHBondContact SG-O 2.92Å |
| 304 | R | 88 | Confident | 81 | Confident | 152 Ų | 152 | 79 Ų | 79 | 57% | 0.574 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.1 | 178.6 | -168.5 | -170.8 | -49.9 | 173.9 | 2.8 | 110.4 | S293 V295 | S293-R304 WeakPolarHBondContact CB-O 3.36Å; S293-R304 PolarHBondContact N-O 2.03Å; S293-R304 PolarHBondContact O-N 3.43Å; V295-R304 VanDerWaalsContact CG1-NH2 3.34Å |
| 305 | C | 89.5 | Confident | 81 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 17% | 0.169 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 152.4 | 177.7 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | F309 C318 | C305-F309 HydrophobicContact CB-CB 3.85Å; C305-C318 WeakPolarHBondContact CA-SG 3.26Å; C305-C318 HydrophobicContact CB-CB 3.83Å; C305-C318 WeakPolarHBondContact CB-SG 3.18Å; C305-C318 WeakPolarHBondContact SG-CA 3.23Å; C305-C318 WeakPolarHBondContact SG-CB 3.49Å; C305-C318 CovalentContact SG-SG 2.04Å; C305-C318 PolarHBondContact SG-SG 3.04Å |
| 306 | P | 86.9 | Confident | 81.2 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 32% | 0.318 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 161.9 | 167.7 | -19.4 | 31.7 | 0 | 0 | 0 | 112.1 | H292 F309 | H292-P306 HydrophobicContact CB-CG 4.35Å; H292-P306 WeakPolarHBondContact CD2-CG 3.36Å; P306-F309 HydrophobicContact CB-CD2 4.09Å; P306-F309 HydrophobicContact CG-CD2 4.47Å; P306-F309 PolarHBondContact O-N 3.43Å; P306-F309 VanDerWaalsContact O-N 3.12Å |
| 307 | S | 88.3 | Confident | 82.1 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 83% | 0.832 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140.2 | 171.6 | -59 | 0 | 0 | 0 | 0 | 111.1 | F309 | S307-F309 VanDerWaalsContact C-N 3.28Š|
| 308 | G | 84.6 | Confident | 83.4 | Confident | 22 Ų | 22 | 83.7 Ų | 83.7 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -3.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V321 | G308-V321 WeakPolarHBondContact O-CB 3.36Å; G308-V321 PolarHBondContact O-N 3.44Å |
| 309 | F | 90.5 | Very high | 84.8 | Confident | 55 Ų | 55 | 75.1 Ų | 75.1 | 24% | 0.241 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.8 | 177.1 | -63.8 | -99 | 0 | 0 | 0 | 111.2 | C305 P306 S307 C318 S319 D320 P338 | C305-F309 HydrophobicContact CB-CB 3.85Å; P306-F309 HydrophobicContact CB-CD2 4.09Å; P306-F309 HydrophobicContact CG-CD2 4.47Å; P306-F309 PolarHBondContact O-N 3.43Å; P306-F309 VanDerWaalsContact O-N 3.12Å; S307-F309 VanDerWaalsContact C-N 3.28Å; F309-C318 HydrophobicContact CB-CB 4.06Å; F309-C318 HydrophobicContact CD1-CB 4.33Å; F309-C318 HydrophobicContact CG-CB 4.48Å; F309-S319 CarbonylContact C-O 3.59Å; F309-S319 WeakPolarHBondContact CA-O 3.48Å; F309-D320 HydrophobicContact CD1-CB 4.16Å; F309-D320 HydrophobicContact CE1-CB 3.99Å; F309-P338 HydrophobicContact CZ-CB 4.07Å |
| 310 | R | 90.2 | Very high | 86.3 | Confident | 162 Ų | 162 | 71.8 Ų | 71.8 | 61% | 0.611 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.7 | 174.7 | 66.7 | 178.8 | -178.5 | 171.5 | -0.4 | 111.1 | S312 S319 V321 | R310-S312 PolarHBondContact O-N 3.43Å; R310-S319 VanDerWaalsContact CG-OG 3.26Å; R310-S319 WeakPolarHBondContact CG-OG 3.05Å; R310-S319 PolarHBondContact N-O 2.82Å; R310-S319 PolarHBondContact O-N 3.06Å; R310-S319 PolarHBondContact O-OG 3.5Å; R310-V321 HydrophobicContact CB-CG2 3.81Å; R310-V321 HydrophobicContact CG-CG2 3.9Å |
| 311 | L | 90.6 | Very high | 87.3 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 129.6 | 177.7 | -152.3 | 71.8 | 0 | 0 | 0 | 109.9 | C303 Q315 | C303-L311 HydrophobicContact CB-CD1 3.87Å; C303-L311 WeakPolarHBondContact O-CD1 3.32Å; L311-Q315 HydrophobicContact CD2-CB 4.03Å; L311-Q315 HydrophobicContact CD2-CG 4.39Å |
| 312 | S | 86.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | trans | -72.6 | 168.7 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | R310 N314 Q315 N317 S319 | R310-S312 PolarHBondContact O-N 3.43Å; S312-N314 WeakPolarHBondContact CB-OD1 3.36Å; S312-N314 PolarHBondContact O-N 3.2Å; S312-N314 VanDerWaalsContact O-N 3.13Å; S312-Q315 PolarHBondContact O-N 2.79Å; S312-N317 VanDerWaalsContact CB-O 3.29Å; S312-N317 WeakPolarHBondContact CB-O 3.48Å; S312-N317 PolarHBondContact N-O 3.04Å; S312-N317 PolarHBondContact OG-O 2.02Å; S312-S319 PolarHBondContact OG-N 3.18Å | ||
| 313 | E | 86.3 | Confident | 88.3 | Confident | 202 Ų | 202 | 71.8 Ų | 71.8 | 94% | 0.944 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.5 | -178.5 | -66.4 | -173.4 | 167.7 | 0 | 0 | 113.6 | Q315 | E313-Q315 PolarHBondContact O-N 2.77Š|
| 314 | N | 83.6 | Confident | 88.2 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -2.8 | 176.1 | 73.6 | -14.6 | 0 | 0 | 0 | 113.9 | S312 Q316 N317 | S312-N314 WeakPolarHBondContact CB-OD1 3.36Å; S312-N314 PolarHBondContact O-N 3.2Å; S312-N314 VanDerWaalsContact O-N 3.13Å; N314-Q316 WeakPolarHBondContact O-CG 3.46Å; N314-Q316 PolarHBondContact O-N 2.86Å; N314-Q316 PolarHBondContact OD1-N 2.04Å; N314-Q316 VanDerWaalsContact OD1-N 3.12Å; N314-N317 VanDerWaalsContact ND2-CG 3.31Å; N314-N317 PolarHBondContact ND2-OD1 3.43Å; N314-N317 PolarHBondContact OD1-N 3.23Å |
| 315 | Q | 83.8 | Confident | 88.1 | Confident | 140 Ų | 140 | 72.4 Ų | 72.4 | 65% | 0.654 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 57.9 | 13.8 | -177.4 | -58.4 | -172.4 | -3.7 | 0 | 0 | 115.7 | C303 L311 S312 E313 | C303-Q315 WeakPolarHBondContact CB-O 3.09Å; C303-Q315 PolarHBondContact SG-O 2.92Å; L311-Q315 HydrophobicContact CD2-CB 4.03Å; L311-Q315 HydrophobicContact CD2-CG 4.39Å; S312-Q315 PolarHBondContact O-N 2.79Å; E313-Q315 PolarHBondContact O-N 2.77Å |
| 316 | Q | 85.2 | Confident | 87.5 | Confident | 85 Ų | 85 | 75.3 Ų | 75.3 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -121.1 | -35.9 | -177 | -67 | -177.4 | -61.6 | 0 | 0 | 112.8 | T289 E291 N314 | T289-Q316 PolarHBondContact O-NE2 2.79Å; E291-Q316 PolarHBondContact N-O 3.41Å; N314-Q316 WeakPolarHBondContact O-CG 3.46Å; N314-Q316 PolarHBondContact O-N 2.86Å; N314-Q316 PolarHBondContact OD1-N 2.04Å; N314-Q316 VanDerWaalsContact OD1-N 3.12Å |
| 317 | N | 88.2 | Confident | 86.8 | Confident | 71 Ų | 71 | 80.6 Ų | 80.6 | 38% | 0.38 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -101.4 | 158.3 | -173.9 | -66.9 | 19.8 | 0 | 0 | 0 | 111.2 | E291 S312 N314 | E291-N317 WeakPolarHBondContact OE2-CA 3.07Å; E291-N317 VanDerWaalsContact OE2-CB 3.26Å; E291-N317 WeakPolarHBondContact OE2-CB 3.03Å; S312-N317 VanDerWaalsContact CB-O 3.29Å; S312-N317 WeakPolarHBondContact CB-O 3.48Å; S312-N317 PolarHBondContact N-O 3.04Å; S312-N317 PolarHBondContact OG-O 2.02Å; N314-N317 VanDerWaalsContact ND2-CG 3.31Å; N314-N317 PolarHBondContact ND2-OD1 3.43Å; N314-N317 PolarHBondContact OD1-N 3.23Å |
| 318 | C | 90.9 | Very high | 86.1 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.5 | 178 | -65.2 | 0 | 0 | 0 | 0 | 110 | E291 C305 F309 | E291-C318 PolarHBondContact OE2-N 3.13Å; C305-C318 WeakPolarHBondContact CA-SG 3.26Å; C305-C318 HydrophobicContact CB-CB 3.83Å; C305-C318 WeakPolarHBondContact CB-SG 3.18Å; C305-C318 WeakPolarHBondContact SG-CA 3.23Å; C305-C318 WeakPolarHBondContact SG-CB 3.49Å; C305-C318 CovalentContact SG-SG 2.04Å; C305-C318 PolarHBondContact SG-SG 3.04Å; F309-C318 HydrophobicContact CB-CB 4.06Å; F309-C318 HydrophobicContact CD1-CB 4.33Å; F309-C318 HydrophobicContact CG-CB 4.48Å |
| 319 | S | 90.7 | Very high | 85.7 | Confident | 36 Ų | 36 | 75.4 Ų | 75.4 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136.1 | 171.4 | 54.9 | 0 | 0 | 0 | 0 | 109 | F309 R310 S312 | F309-S319 CarbonylContact C-O 3.59Å; F309-S319 WeakPolarHBondContact CA-O 3.48Å; R310-S319 VanDerWaalsContact CG-OG 3.26Å; R310-S319 WeakPolarHBondContact CG-OG 3.05Å; R310-S319 PolarHBondContact N-O 2.82Å; R310-S319 PolarHBondContact O-N 3.06Å; R310-S319 PolarHBondContact O-OG 3.5Å; S312-S319 PolarHBondContact OG-N 3.18Å |
| 320 | D | 91.8 | Very high | 84.9 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 137.8 | 174.9 | -172.3 | 49.9 | 0 | 0 | 0 | 110.5 | F309 N336 P338 G339 | F309-D320 HydrophobicContact CD1-CB 4.16Å; F309-D320 HydrophobicContact CE1-CB 3.99Å; D320-N336 PolarHBondContact OD2-ND2 3.34Å; D320-P338 WeakPolarHBondContact OD1-CA 3.39Å; D320-G339 PolarHBondContact OD1-N 2.95Å |
| 321 | V | 91.4 | Very high | 83.8 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | trans | -88.7 | 112.8 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | G308 R310 E323 | G308-V321 WeakPolarHBondContact O-CB 3.36Å; G308-V321 PolarHBondContact O-N 3.44Å; R310-V321 HydrophobicContact CB-CG2 3.81Å; R310-V321 HydrophobicContact CG-CG2 3.9Å; V321-E323 HydrophobicContact CG1-CG 4.35Å; V321-E323 PolarHBondContact O-N 2.9Å | ||
| 322 | D | 89.6 | Confident | 83.1 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 33% | 0.326 | 42% | 0.42 | S | S | . | . | trans | -76.1 | 94.8 | 176.1 | -171.2 | -16.9 | 0 | 0 | 0 | 110.7 | C324 L325 N336 | D322-C324 PolarHBondContact O-N 3.28Å; D322-C324 WeakPolarHBondContact OD1-CA 3.03Å; D322-C324 WeakPolarHBondContact OD1-CB 3.48Å; D322-C324 PolarHBondContact OD1-N 2.02Å; D322-L325 HydrophobicContact CB-CD1 3.99Å; D322-L325 HydrophobicContact CB-CG 4.1Å; D322-L325 PolarHBondContact O-N 3.47Å; D322-N336 WeakPolarHBondContact OD1-CB 2.98Å | ||
| 323 | E | 90.4 | Very high | 82.9 | Confident | 33 Ų | 33 | 79.8 Ų | 79.8 | 15% | 0.154 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -72.1 | -11.7 | 178.4 | -57 | 96.9 | 168.2 | 0 | 0 | 113.2 | V321 L325 S326 A328 S340 Y341 | V321-E323 HydrophobicContact CG1-CG 4.35Å; V321-E323 PolarHBondContact O-N 2.9Å; E323-L325 PolarHBondContact O-N 2.91Å; E323-S326 PolarHBondContact O-N 3.1Å; E323-S326 PolarHBondContact O-OG 3.3Å; E323-A328 HydrophobicContact CB-CB 4.49Å; E323-A328 WeakPolarHBondContact O-CB 3.44Å; E323-S340 VanDerWaalsContact OE2-C 3.22Å; E323-Y341 HydrophobicContact CB-CD1 3.45Å; E323-Y341 VanDerWaalsContact CB-CD1 3.45Å; E323-Y341 HydrophobicContact CB-CE1 3.94Å; E323-Y341 HydrophobicContact CB-CG 3.95Å; E323-Y341 HydrophobicContact CG-CD1 3.85Å; E323-Y341 HydrophobicContact CG-CE1 4.28Å |
| 324 | C | 85.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 22% | 0.223 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -69.4 | -20.7 | 175 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | D322 S326 C334 I335 N336 | D322-C324 PolarHBondContact O-N 3.28Å; D322-C324 WeakPolarHBondContact OD1-CA 3.03Å; D322-C324 WeakPolarHBondContact OD1-CB 3.48Å; D322-C324 PolarHBondContact OD1-N 2.02Å; C324-S326 PolarHBondContact O-N 3.01Å; C324-C334 WeakPolarHBondContact CA-SG 3.34Å; C324-C334 HydrophobicContact CB-CB 3.64Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CB 3.47Å; C324-C334 CovalentContact SG-SG 2.03Å; C324-C334 PolarHBondContact SG-SG 2.8Å; C324-I335 VanDerWaalsContact SG-C 3.57Å; C324-N336 PolarHBondContact SG-N 3.34Å |
| 325 | L | 85.4 | Confident | 83 | Confident | 146 Ų | 146 | 71.8 Ų | 71.8 | 76% | 0.764 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -70.5 | -17 | 176.1 | -61.7 | 177.8 | 0 | 0 | 0 | 113.1 | D322 E323 | D322-L325 HydrophobicContact CB-CD1 3.99Å; D322-L325 HydrophobicContact CB-CG 4.1Å; D322-L325 PolarHBondContact O-N 3.47Å; E323-L325 PolarHBondContact O-N 2.91Å |
| 326 | S | 77.7 | Confident | 83.3 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 60% | 0.601 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -108.1 | 31.2 | -175.5 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | E323 C324 A328 | E323-S326 PolarHBondContact O-N 3.1Å; E323-S326 PolarHBondContact O-OG 3.3Å; C324-S326 PolarHBondContact O-N 3.01Å; S326-A328 PolarHBondContact O-N 2.74Å; S326-A328 VanDerWaalsContact O-N 3.15Å |
| 327 | Q | 70.6 | Confident | 83.3 | Confident | 159 Ų | 159 | 65.3 Ų | 65.3 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 32.5 | 179.1 | -68.1 | -172.2 | -15.8 | 0 | 0 | 114.2 | C329 D330 | Q327-C329 PolarHBondContact O-N 3.26Å; Q327-D330 PolarHBondContact O-N 2.72Å |
| 328 | A | 74.7 | Confident | 83.3 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 24% | 0.24 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E323 S326 Y341 | E323-A328 HydrophobicContact CB-CB 4.49Å; E323-A328 WeakPolarHBondContact O-CB 3.44Å; S326-A328 PolarHBondContact O-N 2.74Å; S326-A328 VanDerWaalsContact O-N 3.15Å; A328-Y341 HydrophobicContact CB-CD2 4.09Å; A328-Y341 HydrophobicContact CB-CE1 4.26Å; A328-Y341 HydrophobicContact CB-CE2 3.51Å |
| 329 | C | 76.1 | Confident | 83.1 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 14.8 | -173.8 | -71.2 | 0 | 0 | 0 | 0 | 115.7 | Q327 N331 R332 C334 C343 | Q327-C329 PolarHBondContact O-N 3.26Å; C329-N331 PolarHBondContact O-N 2.81Å; C329-R332 HydrophobicContact CB-CB 4.22Å; C329-R332 VanDerWaalsContact O-CB 3.29Å; C329-R332 WeakPolarHBondContact O-CB 3.35Å; C329-R332 PolarHBondContact O-N 2.98Å; C329-R332 PolarHBondContact O-NE 2.93Å; C329-R332 VanDerWaalsContact O-NE 3.08Å; C329-C334 HydrophobicContact CB-CB 4.13Å; C329-C334 PolarHBondContact SG-SG 2.96Å; C329-C343 WeakPolarHBondContact CA-SG 3.24Å; C329-C343 HydrophobicContact CB-CB 3.78Å; C329-C343 WeakPolarHBondContact CB-SG 3.42Å; C329-C343 WeakPolarHBondContact SG-CA 3.29Å; C329-C343 WeakPolarHBondContact SG-CB 3.44Å; C329-C343 CovalentContact SG-SG 2.03Å; C329-C343 PolarHBondContact SG-SG 3.25Å |
| 330 | D | 73.3 | Confident | 83.1 | Confident | 126 Ų | 126 | 68.9 Ų | 68.9 | 67% | 0.674 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 56.7 | 175.3 | -63.9 | -39.9 | 0 | 0 | 0 | 113.3 | Q327 R332 | Q327-D330 PolarHBondContact O-N 2.72Å; D330-R332 VanDerWaalsContact C-N 3.27Å; D330-R332 PolarHBondContact O-N 3.12Å |
| 331 | N | 67.4 | Low | 83 | Confident | 161 Ų | 161 | 71 Ų | 71 | 86% | 0.861 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 13.6 | -177.9 | -57.5 | -42.2 | 0 | 0 | 0 | 116.6 | C329 | C329-N331 PolarHBondContact O-N 2.81Š|
| 332 | R | 75.9 | Confident | 82.6 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 32% | 0.317 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -88.6 | 167.1 | 166.5 | -64.4 | 174.1 | -76.2 | -146.9 | -3.4 | 111.5 | C329 D330 G354 | C329-R332 HydrophobicContact CB-CB 4.22Å; C329-R332 VanDerWaalsContact O-CB 3.29Å; C329-R332 WeakPolarHBondContact O-CB 3.35Å; C329-R332 PolarHBondContact O-N 2.98Å; C329-R332 PolarHBondContact O-NE 2.93Å; C329-R332 VanDerWaalsContact O-NE 3.08Å; D330-R332 VanDerWaalsContact C-N 3.27Å; D330-R332 PolarHBondContact O-N 3.12Å; R332-G354 PolarHBondContact NH1-O 3.34Å |
| 333 | G | 81.6 | Confident | 82.4 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 142.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | C343 V344 | G333-C343 CarbonylContact O-C 3.57Å; G333-C343 WeakPolarHBondContact O-CA 3.46Å; G333-V344 WeakPolarHBondContact CA-O 3.33Å; G333-V344 PolarHBondContact N-O 3.49Å; G333-V344 PolarHBondContact O-N 2.91Å |
| 334 | C | 86.5 | Confident | 82 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 28% | 0.277 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.4 | 179 | -172 | 0 | 0 | 0 | 0 | 109.4 | C324 C329 | C324-C334 WeakPolarHBondContact CA-SG 3.34Å; C324-C334 HydrophobicContact CB-CB 3.64Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CB 3.47Å; C324-C334 CovalentContact SG-SG 2.03Å; C324-C334 PolarHBondContact SG-SG 2.8Å; C329-C334 HydrophobicContact CB-CB 4.13Å; C329-C334 PolarHBondContact SG-SG 2.96Å |
| 335 | I | 86.4 | Confident | 81.7 | Confident | 65 Ų | 65 | 75 Ų | 75 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 113.9 | 174.3 | -58 | 178.9 | 0 | 0 | 0 | 107.3 | C324 R342 V344 | C324-I335 VanDerWaalsContact SG-C 3.57Å; I335-R342 HydrophobicContact CB-CG 3.92Å; I335-R342 PolarHBondContact N-O 3.06Å; I335-R342 PolarHBondContact O-N 3.12Å; I335-V344 HydrophobicContact CD1-CB 4.49Å; I335-V344 HydrophobicContact CD1-CG1 3.61Å; I335-V344 HydrophobicContact CD1-CG2 4.07Å; I335-V344 HydrophobicContact CG1-CG1 4.14Å; I335-V344 HydrophobicContact CG1-CG2 4.06Å |
| 336 | N | 88.6 | Confident | 80.9 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 142.5 | 174.2 | -171 | 40.5 | 0 | 0 | 0 | 110.5 | D320 D322 C324 S340 | D320-N336 PolarHBondContact OD2-ND2 3.34Å; D322-N336 WeakPolarHBondContact OD1-CB 2.98Å; C324-N336 PolarHBondContact SG-N 3.34Å; N336-S340 PolarHBondContact OD1-O 3.36Å |
| 337 | T | 86.9 | Confident | 80.3 | Confident | 40 Ų | 40 | 74 Ų | 74 | 25% | 0.245 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | G339 S340 | T337-G339 PolarHBondContact O-N 2.8Å; T337-S340 CarbonylContact C-O 3.55Å; T337-S340 VanDerWaalsContact C-O 3.3Å; T337-S340 WeakPolarHBondContact CA-O 3.02Å; T337-S340 PolarHBondContact N-O 3.02Å; T337-S340 CarbonylContact O-C 3.23Å; T337-S340 PolarHBondContact O-N 3.2Å; T337-S340 PolarHBondContact OG1-O 2.82Å |
| 338 | P | 87.8 | Confident | 79.8 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 75% | 0.747 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 115.2 | 179.7 | -26.3 | 35.7 | 0 | 0 | 0 | 112.5 | F309 D320 | F309-P338 HydrophobicContact CZ-CB 4.07Å; D320-P338 WeakPolarHBondContact OD1-CA 3.39Å |
| 339 | G | 87.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 4.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D320 T337 | D320-G339 PolarHBondContact OD1-N 2.95Å; T337-G339 PolarHBondContact O-N 2.8Å |
| 340 | S | 89.4 | Confident | 79.2 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 43% | 0.427 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | -173.1 | -177.2 | -156.3 | 0 | 0 | 0 | 0 | 113.1 | E323 N336 T337 | E323-S340 VanDerWaalsContact OE2-C 3.22Å; N336-S340 PolarHBondContact OD1-O 3.36Å; T337-S340 CarbonylContact C-O 3.55Å; T337-S340 VanDerWaalsContact C-O 3.3Å; T337-S340 WeakPolarHBondContact CA-O 3.02Å; T337-S340 PolarHBondContact N-O 3.02Å; T337-S340 CarbonylContact O-C 3.23Å; T337-S340 PolarHBondContact O-N 3.2Å; T337-S340 PolarHBondContact OG1-O 2.82Å |
| 341 | Y | 89.1 | Confident | 78.9 | Confident | 89 Ų | 89 | 78 Ų | 78 | 35% | 0.349 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 159.4 | 172.9 | 66.2 | -76.8 | 0 | 0 | 0 | 110.3 | E323 A328 | E323-Y341 HydrophobicContact CB-CD1 3.45Å; E323-Y341 VanDerWaalsContact CB-CD1 3.45Å; E323-Y341 HydrophobicContact CB-CE1 3.94Å; E323-Y341 HydrophobicContact CB-CG 3.95Å; E323-Y341 HydrophobicContact CG-CD1 3.85Å; E323-Y341 HydrophobicContact CG-CE1 4.28Å; A328-Y341 HydrophobicContact CB-CD2 4.09Å; A328-Y341 HydrophobicContact CB-CE1 4.26Å; A328-Y341 HydrophobicContact CB-CE2 3.51Å |
| 342 | R | 84.4 | Confident | 79 | Confident | 148 Ų | 148 | 72.7 Ų | 72.7 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.2 | 169.7 | 68.7 | -179.3 | -176.5 | -146 | -0.8 | 111.2 | I335 | I335-R342 HydrophobicContact CB-CG 3.92Å; I335-R342 PolarHBondContact N-O 3.06Å; I335-R342 PolarHBondContact O-N 3.12Å |
| 343 | C | 85.1 | Confident | 78.5 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138.2 | 172.4 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | C329 G333 | C329-C343 WeakPolarHBondContact CA-SG 3.24Å; C329-C343 HydrophobicContact CB-CB 3.78Å; C329-C343 WeakPolarHBondContact CB-SG 3.42Å; C329-C343 WeakPolarHBondContact SG-CA 3.29Å; C329-C343 WeakPolarHBondContact SG-CB 3.44Å; C329-C343 CovalentContact SG-SG 2.03Å; C329-C343 PolarHBondContact SG-SG 3.25Å; G333-C343 CarbonylContact O-C 3.57Å; G333-C343 WeakPolarHBondContact O-CA 3.46Å |
| 344 | V | 81.4 | Confident | 77.7 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 31% | 0.309 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | G333 I335 | G333-V344 WeakPolarHBondContact CA-O 3.33Å; G333-V344 PolarHBondContact N-O 3.49Å; G333-V344 PolarHBondContact O-N 2.91Å; I335-V344 HydrophobicContact CD1-CB 4.49Å; I335-V344 HydrophobicContact CD1-CG1 3.61Å; I335-V344 HydrophobicContact CD1-CG2 4.07Å; I335-V344 HydrophobicContact CG1-CG1 4.14Å; I335-V344 HydrophobicContact CG1-CG2 4.06Å |
| 345 | C | 79.1 | Confident | 76.7 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 17% | 0.169 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 151.3 | 172.8 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | F349 C356 | C345-F349 HydrophobicContact CB-CB 3.72Å; C345-F349 WeakPolarHBondContact CB-O 3.3Å; C345-C356 WeakPolarHBondContact CA-SG 3.03Å; C345-C356 HydrophobicContact CB-CB 3.73Å; C345-C356 WeakPolarHBondContact CB-SG 3.48Å; C345-C356 WeakPolarHBondContact SG-CA 3.29Å; C345-C356 WeakPolarHBondContact SG-CB 3.33Å; C345-C356 CovalentContact SG-SG 2.03Å; C345-C356 PolarHBondContact SG-SG 2.65Å |
| 346 | G | 69.1 | Low | 75.9 | Confident | 48 Ų | 48 | 78.4 Ų | 78.4 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 170.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G348 F349 | G346-G348 PolarHBondContact O-N 2.88Å; G346-F349 PolarHBondContact O-N 3.45Å; G346-F349 VanDerWaalsContact O-N 3.12Å |
| 347 | D | 65.1 | Low | 75 | Confident | 163 Ų | 163 | 81.5 Ų | 81.5 | 87% | 0.872 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.7 | -176.7 | -62.6 | -34.4 | 0 | 0 | 0 | 112.3 | F349 | D347-F349 WeakPolarHBondContact O-CD2 3.44Š|
| 348 | G | 61.3 | Low | 74 | Confident | 21 Ų | 21 | 82.7 Ų | 82.7 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G346 H358 V359 | G346-G348 PolarHBondContact O-N 2.88Å; G348-H358 PolarHBondContact O-CD2 3.08Å; G348-H358 VanDerWaalsContact O-CD2 3.24Å; G348-V359 PolarHBondContact O-N 2.69Å |
| 349 | F | 68.6 | Low | 73 | Confident | 94 Ų | 94 | 79.8 Ų | 79.8 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.7 | -179.2 | -66.5 | -100.4 | 0 | 0 | 0 | 111.8 | C345 G346 D347 C356 R357 H358 | C345-F349 HydrophobicContact CB-CB 3.72Å; C345-F349 WeakPolarHBondContact CB-O 3.3Å; G346-F349 PolarHBondContact O-N 3.45Å; G346-F349 VanDerWaalsContact O-N 3.12Å; D347-F349 WeakPolarHBondContact O-CD2 3.44Å; F349-C356 HydrophobicContact CB-CB 4.1Å; F349-C356 HydrophobicContact CD1-CB 4.43Å; F349-R357 CarbonylContact C-O 3.55Å; F349-R357 VanDerWaalsContact CA-O 3.3Å; F349-R357 WeakPolarHBondContact CA-O 3.05Å; F349-H358 HydrophobicContact CD1-CB 4.23Å; F349-H358 HydrophobicContact CE1-CB 3.94Å; F349-H358 AromaticContact CZ-CD2 3.86Å |
| 350 | R | 69.4 | Low | 72 | Confident | 193 Ų | 193 | 81.9 Ų | 81.9 | 73% | 0.728 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.7 | 175 | -165.5 | 172.5 | -169.4 | 162.4 | 3.2 | 110.3 | S352 R357 V359 | R350-S352 PolarHBondContact O-N 2.99Å; R350-R357 PolarHBondContact N-O 2.78Å; R350-R357 PolarHBondContact O-N 3.11Å; R350-V359 HydrophobicContact CB-CG2 3.59Å |
| 351 | L | 66.6 | Low | 71 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 115.9 | 177.4 | -167.3 | 71.9 | 0 | 0 | 0 | 109.4 | ||
| 352 | S | 68.8 | Low | 70.1 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 34% | 0.343 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | R350 G354 E355 | R350-S352 PolarHBondContact O-N 2.99Å; S352-G354 PolarHBondContact O-N 3.34Å; S352-E355 PolarHBondContact N-O 2.99Å; S352-E355 PolarHBondContact O-N 3.24Å |
| 353 | D | 66.4 | Low | 69.2 | Low | 136 Ų | 136 | 79.1 Ų | 79.1 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 31.6 | -179.8 | -49.6 | -46.6 | 0 | 0 | 0 | 115 | E355 R357 | D353-E355 VanDerWaalsContact C-N 3.27Å; D353-E355 PolarHBondContact O-N 2.92Å; D353-R357 IonicContact OD2-CZ 3.64Å; D353-R357 IonicContact OD2-NH1 2.92Å; D353-R357 PolarHBondContact OD2-NH1 2.97Å; D353-R357 IonicContact OD2-NH2 3.74Å |
| 354 | G | 64 | Low | 68 | Low | 47 Ų | 47 | 80.9 Ų | 80.9 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R332 S352 | R332-G354 PolarHBondContact NH1-O 3.34Å; S352-G354 PolarHBondContact O-N 3.34Å |
| 355 | E | 65.1 | Low | 67.1 | Low | 119 Ų | 119 | 80.5 Ų | 80.5 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148 | 175 | -68.7 | -174.3 | 154.8 | 0 | 0 | 111.4 | S352 D353 R357 | S352-E355 PolarHBondContact N-O 2.99Å; S352-E355 PolarHBondContact O-N 3.24Å; D353-E355 VanDerWaalsContact C-N 3.27Å; D353-E355 PolarHBondContact O-N 2.92Å; E355-R357 PolarHBondContact O-N 2.82Å |
| 356 | C | 70.8 | Confident | 66.2 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 28% | 0.277 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.8 | 172.8 | -68.3 | 0 | 0 | 0 | 0 | 108.7 | C345 F349 | C345-C356 WeakPolarHBondContact CA-SG 3.03Å; C345-C356 HydrophobicContact CB-CB 3.73Å; C345-C356 WeakPolarHBondContact CB-SG 3.48Å; C345-C356 WeakPolarHBondContact SG-CA 3.29Å; C345-C356 WeakPolarHBondContact SG-CB 3.33Å; C345-C356 CovalentContact SG-SG 2.03Å; C345-C356 PolarHBondContact SG-SG 2.65Å; F349-C356 HydrophobicContact CB-CB 4.1Å; F349-C356 HydrophobicContact CD1-CB 4.43Å |
| 357 | R | 69.2 | Low | 66.1 | Low | 115 Ų | 115 | 83.2 Ų | 83.2 | 43% | 0.434 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 143.5 | 175.9 | -67.2 | -170 | 179 | 137.6 | 6.7 | 110.1 | F349 R350 D353 E355 V359 | F349-R357 CarbonylContact C-O 3.55Å; F349-R357 VanDerWaalsContact CA-O 3.3Å; F349-R357 WeakPolarHBondContact CA-O 3.05Å; R350-R357 PolarHBondContact N-O 2.78Å; R350-R357 PolarHBondContact O-N 3.11Å; D353-R357 IonicContact OD2-CZ 3.64Å; D353-R357 IonicContact OD2-NH1 2.92Å; D353-R357 PolarHBondContact OD2-NH1 2.97Å; D353-R357 IonicContact OD2-NH2 3.74Å; E355-R357 PolarHBondContact O-N 2.82Å; R357-V359 PolarHBondContact O-N 2.84Å |
| 358 | H | 65.3 | Low | 66.3 | Low | 64 Ų | 64 | 79.6 Ų | 79.6 | 30% | 0.296 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 132 | 175.8 | -165.5 | -105.3 | 0 | 0 | 0 | 108.8 | G348 F349 E361 N373 T374 G375 G376 | G348-H358 PolarHBondContact O-CD2 3.08Å; G348-H358 VanDerWaalsContact O-CD2 3.24Å; F349-H358 HydrophobicContact CD1-CB 4.23Å; F349-H358 HydrophobicContact CE1-CB 3.94Å; F349-H358 AromaticContact CZ-CD2 3.86Å; H358-E361 IonicContact CE1-OE2 3.65Å; H358-N373 PolarHBondContact ND1-ND2 3Å; H358-T374 PolarHBondContact CE1-O 2.99Å; H358-T374 PolarHBondContact NE2-O 2.84Å; H358-G375 WeakPolarHBondContact NE2-CA 3.44Å; H358-G376 PolarHBondContact NE2-N 3.43Å |
| 359 | V | 67.6 | Low | 67 | Low | 55 Ų | 55 | 81.9 Ų | 81.9 | 33% | 0.333 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 129.5 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 106.6 | G348 R350 R357 E361 | G348-V359 PolarHBondContact O-N 2.69Å; R350-V359 HydrophobicContact CB-CG2 3.59Å; R357-V359 PolarHBondContact O-N 2.84Å; V359-E361 HydrophobicContact CG1-CG 4.25Å; V359-E361 PolarHBondContact O-N 3.44Å |
| 360 | N | 66.6 | Low | 67.2 | Low | 66 Ų | 66 | 78.6 Ų | 78.6 | 35% | 0.353 | 44% | 0.435 | S | S | . | . | trans | -83.5 | 94.1 | 169.7 | -175.9 | -0.2 | 0 | 0 | 0 | 108.4 | C362 E363 N373 | N360-C362 PolarHBondContact O-N 3.04Å; N360-C362 WeakPolarHBondContact OD1-CB 3.33Å; N360-C362 PolarHBondContact OD1-N 3.48Å; N360-C362 VanDerWaalsContact OD1-N 3.16Å; N360-E363 PolarHBondContact O-N 3.33Å; N360-N373 WeakPolarHBondContact OD1-CB 3.04Å; N360-N373 PolarHBondContact OD1-ND2 3.07Å | ||
| 361 | E | 68.6 | Low | 67.5 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -6.3 | -178.4 | -62.6 | 86.2 | 177.6 | 0 | 0 | 113.5 | H358 V359 N373 F378 | H358-E361 IonicContact CE1-OE2 3.65Å; V359-E361 HydrophobicContact CG1-CG 4.25Å; V359-E361 PolarHBondContact O-N 3.44Å; E361-N373 PolarHBondContact OE2-OD1 2.77Å; E361-F378 HydrophobicContact CB-CB 4.01Å; E361-F378 HydrophobicContact CB-CD1 3.59Å; E361-F378 HydrophobicContact CB-CE1 4.47Å; E361-F378 HydrophobicContact CB-CG 4.12Å; E361-F378 HydrophobicContact CG-CD1 4.47Å |
| 362 | C | 69.8 | Low | 68.1 | Low | 29 Ų | 29 | 69.6 Ų | 69.6 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -16.9 | 169.4 | -64.8 | 0 | 0 | 0 | 0 | 114.3 | N360 G364 S365 C371 V372 N373 | N360-C362 PolarHBondContact O-N 3.04Å; N360-C362 WeakPolarHBondContact OD1-CB 3.33Å; N360-C362 PolarHBondContact OD1-N 3.48Å; N360-C362 VanDerWaalsContact OD1-N 3.16Å; C362-G364 VanDerWaalsContact C-N 3.3Å; C362-G364 PolarHBondContact O-N 3.03Å; C362-S365 PolarHBondContact O-N 2.94Å; C362-C371 VanDerWaalsContact CA-SG 3.5Å; C362-C371 HydrophobicContact CB-CB 3.89Å; C362-C371 WeakPolarHBondContact CB-SG 3.43Å; C362-C371 VanDerWaalsContact SG-C 3.54Å; C362-C371 WeakPolarHBondContact SG-CB 2.93Å; C362-C371 CovalentContact SG-SG 2.06Å; C362-C371 PolarHBondContact SG-SG 3.28Å; C362-V372 VanDerWaalsContact SG-C 3.59Å; C362-N373 PolarHBondContact SG-N 2.89Å |
| 363 | E | 65.9 | Low | 68 | Low | 167 Ų | 167 | 69.9 Ų | 69.9 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 84 | 172.5 | -84.4 | -173.3 | 153 | 0 | 0 | 109.8 | N360 | N360-E363 PolarHBondContact O-N 3.33Š|
| 364 | G | 59.3 | Low | 68 | Low | 75 Ų | 75 | 66.2 Ų | 66.2 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.2 | 8.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C362 | C362-G364 VanDerWaalsContact C-N 3.3Å; C362-G364 PolarHBondContact O-N 3.03Å |
| 365 | S | 61.8 | Low | 67.6 | Low | 44 Ų | 44 | 67.7 Ų | 67.7 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | trans | -65.7 | 146.2 | -177.3 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | C362 | C362-S365 PolarHBondContact O-N 2.94Š| ||
| 366 | V | 60.3 | Low | 67.3 | Low | 109 Ų | 109 | 63.7 Ų | 63.7 | 66% | 0.661 | 39% | 0.393 | S | S | * | . | trans | -98.8 | 19.7 | 176.1 | -145.6 | 0 | 0 | 0 | 0 | 112.5 | D368 | V366-D368 PolarHBondContact O-N 3.2Š| ||
| 367 | C | 68.6 | Low | 67.1 | Low | 21 Ų | 21 | 64.8 Ų | 64.8 | 14% | 0.142 | 40% | 0.401 | C | S | . | . | trans | -61.4 | 133 | -179 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | H369 C371 C380 | C367-H369 VanDerWaalsContact C-N 3.29Å; C367-H369 PolarHBondContact O-N 3.07Å; C367-C371 HydrophobicContact CB-CB 4.45Å; C367-C380 HydrophobicContact CB-CB 3.78Å; C367-C380 WeakPolarHBondContact CB-SG 3.13Å; C367-C380 WeakPolarHBondContact SG-CB 3.24Å; C367-C380 CovalentContact SG-SG 2.05Å; C367-C380 PolarHBondContact SG-SG 3.29Å | ||
| 368 | D | 68.8 | Low | 67.1 | Low | 86 Ų | 86 | 62.3 Ų | 62.3 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -58.7 | -34.3 | -178.3 | -80.6 | -15.3 | 0 | 0 | 0 | 114 | V366 Q396 R397 C398 | V366-D368 PolarHBondContact O-N 3.2Å; D368-Q396 PolarHBondContact N-O 3.32Å; D368-R397 VanDerWaalsContact OD2-CA 3.3Å; D368-R397 WeakPolarHBondContact OD2-CA 3.44Å; D368-C398 PolarHBondContact OD2-N 3.42Å |
| 369 | H | 75.4 | Confident | 67.3 | Low | 70 Ų | 70 | 61.8 Ų | 61.8 | 32% | 0.324 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -124.8 | -62.8 | -179.3 | -53 | 130.1 | 0 | 0 | 0 | 114.2 | C367 L381 Q383 F386 C398 | C367-H369 VanDerWaalsContact C-N 3.29Å; C367-H369 PolarHBondContact O-N 3.07Å; H369-L381 WeakPolarHBondContact CB-O 3.48Å; H369-Q383 HydrophobicContact CB-CG 3.98Å; H369-Q383 PolarHBondContact ND1-N 3.17Å; H369-F386 AromaticContact CE1-CG 3.99Å; H369-C398 PolarHBondContact ND1-SG 3.41Å; H369-C398 VanDerWaalsContact ND1-SG 3.44Å |
| 370 | G | 72.6 | Confident | 67.7 | Low | 24 Ų | 24 | 60.6 Ų | 60.6 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C380 L381 | G370-C380 CarbonylContact O-C 3.57Å; G370-C380 VanDerWaalsContact O-CA 3.24Å; G370-C380 WeakPolarHBondContact O-CA 3.26Å; G370-L381 PolarHBondContact N-O 3.44Å; G370-L381 PolarHBondContact O-N 3.25Å |
| 371 | C | 77.1 | Confident | 68.1 | Low | 37 Ų | 37 | 62 Ų | 62 | 25% | 0.25 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | C362 C367 S379 | C362-C371 VanDerWaalsContact CA-SG 3.5Å; C362-C371 HydrophobicContact CB-CB 3.89Å; C362-C371 WeakPolarHBondContact CB-SG 3.43Å; C362-C371 VanDerWaalsContact SG-C 3.54Å; C362-C371 WeakPolarHBondContact SG-CB 2.93Å; C362-C371 CovalentContact SG-SG 2.06Å; C362-C371 PolarHBondContact SG-SG 3.28Å; C367-C371 HydrophobicContact CB-CB 4.45Å; C371-S379 CarbonylContact C-O 3.6Å; C371-S379 WeakPolarHBondContact CA-O 3.5Å |
| 372 | V | 77.7 | Confident | 68.4 | Low | 63 Ų | 63 | 62 Ų | 62 | 38% | 0.382 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.2 | 171.2 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | C362 F378 S379 L381 | C362-V372 VanDerWaalsContact SG-C 3.59Å; V372-F378 CarbonylContact O-C 3.39Å; V372-F378 WeakPolarHBondContact O-CA 3.41Å; V372-S379 PolarHBondContact N-O 3.49Å; V372-S379 PolarHBondContact O-N 3.1Å; V372-S379 PolarHBondContact O-OG 3.43Å; V372-L381 HydrophobicContact CG2-CD1 3.59Å; V372-L381 HydrophobicContact CG2-CD2 4.16Å; V372-L381 HydrophobicContact CG2-CG 3.84Å |
| 373 | N | 68.1 | Low | 68.4 | Low | 55 Ų | 55 | 66.3 Ų | 66.3 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.7 | 177 | -170.9 | 26.6 | 0 | 0 | 0 | 110 | H358 N360 E361 C362 S377 | H358-N373 PolarHBondContact ND1-ND2 3Å; N360-N373 WeakPolarHBondContact OD1-CB 3.04Å; N360-N373 PolarHBondContact OD1-ND2 3.07Å; E361-N373 PolarHBondContact OE2-OD1 2.77Å; C362-N373 PolarHBondContact SG-N 2.89Å; N373-S377 PolarHBondContact OD1-O 2.03Å |
| 374 | T | 66.1 | Low | 68.3 | Low | 60 Ų | 60 | 67.9 Ų | 67.9 | 37% | 0.368 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.2 | 176 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | H358 G376 S377 | H358-T374 PolarHBondContact CE1-O 2.99Å; H358-T374 PolarHBondContact NE2-O 2.84Å; T374-G376 PolarHBondContact O-N 2.89Å; T374-S377 CarbonylContact C-O 3.58Å; T374-S377 WeakPolarHBondContact CA-O 3.44Å; T374-S377 PolarHBondContact N-O 3.01Å; T374-S377 PolarHBondContact O-N 2.73Å; T374-S377 VanDerWaalsContact O-N 3.17Å; T374-S377 PolarHBondContact OG1-O 3.13Å |
| 375 | G | 55.2 | Low | 68.3 | Low | 77 Ų | 77 | 66.4 Ų | 66.4 | 79% | 0.794 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 75.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H358 | H358-G375 WeakPolarHBondContact NE2-CA 3.44Š|
| 376 | G | 59.1 | Low | 68.5 | Low | 36 Ų | 36 | 68 Ų | 68 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 125.8 | 2.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H358 T374 | H358-G376 PolarHBondContact NE2-N 3.43Å; T374-G376 PolarHBondContact O-N 2.89Å |
| 377 | S | 65.5 | Low | 68.7 | Low | 63 Ų | 63 | 69.3 Ų | 69.3 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | -175.8 | -179 | -169 | 0 | 0 | 0 | 0 | 110.6 | N373 T374 | N373-S377 PolarHBondContact OD1-O 2.03Å; T374-S377 CarbonylContact C-O 3.58Å; T374-S377 WeakPolarHBondContact CA-O 3.44Å; T374-S377 PolarHBondContact N-O 3.01Å; T374-S377 PolarHBondContact O-N 2.73Å; T374-S377 VanDerWaalsContact O-N 3.17Å; T374-S377 PolarHBondContact OG1-O 3.13Å |
| 378 | F | 69.8 | Low | 68.7 | Low | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 160.7 | 168.9 | 68.1 | -76.2 | 0 | 0 | 0 | 111.6 | E361 V372 | E361-F378 HydrophobicContact CB-CB 4.01Å; E361-F378 HydrophobicContact CB-CD1 3.59Å; E361-F378 HydrophobicContact CB-CE1 4.47Å; E361-F378 HydrophobicContact CB-CG 4.12Å; E361-F378 HydrophobicContact CG-CD1 4.47Å; V372-F378 CarbonylContact O-C 3.39Å; V372-F378 WeakPolarHBondContact O-CA 3.41Å |
| 379 | S | 70.3 | Confident | 68.3 | Low | 52 Ų | 52 | 70.7 Ų | 70.7 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.7 | 174.7 | 60 | 0 | 0 | 0 | 0 | 111 | C371 V372 | C371-S379 CarbonylContact C-O 3.6Å; C371-S379 WeakPolarHBondContact CA-O 3.5Å; V372-S379 PolarHBondContact N-O 3.49Å; V372-S379 PolarHBondContact O-N 3.1Å; V372-S379 PolarHBondContact O-OG 3.43Å |
| 380 | C | 74.5 | Confident | 67.3 | Low | 30 Ų | 30 | 72 Ų | 72 | 20% | 0.203 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 138.6 | 175.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | C367 G370 | C367-C380 HydrophobicContact CB-CB 3.78Å; C367-C380 WeakPolarHBondContact CB-SG 3.13Å; C367-C380 WeakPolarHBondContact SG-CB 3.24Å; C367-C380 CovalentContact SG-SG 2.05Å; C367-C380 PolarHBondContact SG-SG 3.29Å; G370-C380 CarbonylContact O-C 3.57Å; G370-C380 VanDerWaalsContact O-CA 3.24Å; G370-C380 WeakPolarHBondContact O-CA 3.26Å |
| 381 | L | 76.6 | Confident | 66.4 | Low | 95 Ų | 95 | 78.6 Ų | 78.6 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.8 | 173.9 | -62.8 | 175.7 | 0 | 0 | 0 | 109.9 | H369 G370 V372 | H369-L381 WeakPolarHBondContact CB-O 3.48Å; G370-L381 PolarHBondContact N-O 3.44Å; G370-L381 PolarHBondContact O-N 3.25Å; V372-L381 HydrophobicContact CG2-CD1 3.59Å; V372-L381 HydrophobicContact CG2-CD2 4.16Å; V372-L381 HydrophobicContact CG2-CG 3.84Å |
| 382 | C | 73.6 | Confident | 65.1 | Low | 44 Ų | 44 | 79.9 Ų | 79.9 | 30% | 0.297 | 46% | 0.46 | S | S | . | . | trans | -105.6 | 139.1 | 169.6 | -62 | 0 | 0 | 0 | 0 | 110.6 | F386 C398 | C382-F386 HydrophobicContact CB-CB 3.98Å; C382-C398 WeakPolarHBondContact CA-SG 3.46Å; C382-C398 HydrophobicContact CB-CB 3.91Å; C382-C398 WeakPolarHBondContact CB-SG 3.36Å; C382-C398 WeakPolarHBondContact SG-CB 2.96Å; C382-C398 CovalentContact SG-SG 2.04Å; C382-C398 PolarHBondContact SG-SG 2.05Å | ||
| 383 | Q | 70.6 | Confident | 63.8 | Low | 121 Ų | 121 | 80.4 Ų | 80.4 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | trans | -67.9 | 162.9 | 173.3 | -67.7 | 178.8 | 2.4 | 0 | 0 | 111.4 | H369 G385 F386 | H369-Q383 HydrophobicContact CB-CG 3.98Å; H369-Q383 PolarHBondContact ND1-N 3.17Å; Q383-G385 PolarHBondContact O-N 2.77Å; Q383-F386 WeakPolarHBondContact O-CB 3.38Å; Q383-F386 PolarHBondContact O-N 3.34Å; Q383-F386 VanDerWaalsContact O-N 3.07Å | ||
| 384 | E | 64.1 | Low | 63.1 | Low | 200 Ų | 200 | 80.3 Ų | 80.3 | 94% | 0.935 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.4 | -177 | -161 | 171.5 | -172.4 | 0 | 0 | 111.8 | ||
| 385 | G | 57.8 | Low | 62.5 | Low | 44 Ų | 44 | 80.3 Ų | 80.3 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -4.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q383 H401 | Q383-G385 PolarHBondContact O-N 2.77Å; G385-H401 PolarHBondContact O-N 2.06Å |
| 386 | F | 66.1 | Low | 62.8 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 33% | 0.333 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146 | 175.8 | -66 | -104.1 | 0 | 0 | 0 | 112 | H369 C382 Q383 C398 R399 L400 | H369-F386 AromaticContact CE1-CG 3.99Å; C382-F386 HydrophobicContact CB-CB 3.98Å; Q383-F386 WeakPolarHBondContact O-CB 3.38Å; Q383-F386 PolarHBondContact O-N 3.34Å; Q383-F386 VanDerWaalsContact O-N 3.07Å; F386-C398 HydrophobicContact CB-CB 4.07Å; F386-C398 HydrophobicContact CD1-CB 4.31Å; F386-R399 CarbonylContact C-O 3.45Å; F386-R399 VanDerWaalsContact CA-O 3.28Å; F386-R399 WeakPolarHBondContact CA-O 3.08Å; F386-R399 VanDerWaalsContact CD1-C 3.47Å; F386-L400 HydrophobicContact CD1-CB 4.36Å; F386-L400 HydrophobicContact CD1-CD1 4.5Å; F386-L400 HydrophobicContact CD2-CD1 4.3Å; F386-L400 HydrophobicContact CE1-CB 4.05Å; F386-L400 HydrophobicContact CE1-CD1 3.96Å; F386-L400 HydrophobicContact CE2-CD1 3.73Å; F386-L400 HydrophobicContact CZ-CB 4.48Å; F386-L400 HydrophobicContact CZ-CD1 3.54Å |
| 387 | R | 66.2 | Low | 63.1 | Low | 138 Ų | 138 | 84.9 Ų | 84.9 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.3 | 170.9 | 65.2 | 165.5 | 170.8 | -169.6 | 6.1 | 112.2 | R399 H401 | R387-R399 PolarHBondContact N-O 3.38Å; R387-R399 PolarHBondContact O-N 2.87Å; R387-H401 VanDerWaalsContact CD-CD2 3.4Å; R387-H401 WeakPolarHBondContact CD-CD2 3.07Å; R387-H401 HydrophobicContact CG-CB 4.29Å; R387-H401 VanDerWaalsContact CZ-CD2 3.45Å; R387-H401 VanDerWaalsContact CZ-NE2 3.29Å; R387-H401 PolarHBondContact NE-CD2 3.42Å; R387-H401 VanDerWaalsContact NE-CD2 3.29Å; R387-H401 PolarHBondContact NH1-NE2 3.11Å |
| 388 | Y | 66.6 | Low | 63.1 | Low | 99 Ų | 99 | 82.6 Ų | 82.6 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 139.3 | 168.8 | 179.9 | -88.3 | 0 | 0 | 0 | 110.9 | P390 P395 | Y388-P390 HydrophobicContact CD1-CG 4.05Å; Y388-P390 HydrophobicContact CE1-CB 4.11Å; Y388-P390 HydrophobicContact CE1-CG 4.09Å; Y388-P395 VanDerWaalsContact CE2-C 3.42Å; Y388-P395 HydrophobicContact CE2-CB 3.68Å; Y388-P395 VanDerWaalsContact CE2-O 3.26Å; Y388-P395 WeakPolarHBondContact CE2-O 3.04Å; Y388-P395 WeakPolarHBondContact OH-CA 3.1Å; Y388-P395 WeakPolarHBondContact OH-CB 3.45Å |
| 389 | V | 62.3 | Low | 62.9 | Low | 36 Ų | 36 | 87 Ų | 87 | 22% | 0.218 | 46% | 0.462 | C | S | . | . | trans | -110.3 | 107.8 | 177.4 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | D391 R399 | V389-D391 VanDerWaalsContact C-N 3.28Å; V389-D391 PolarHBondContact O-N 3.16Å; V389-R399 HydrophobicContact CG2-CB 3.86Å; V389-R399 HydrophobicContact CG2-CG 3.83Å | ||
| 390 | P | 53.7 | Low | 62.4 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -67 | -21.7 | -174.9 | -18.9 | 30.5 | 0 | 0 | 0 | 115.7 | Y388 S392 | Y388-P390 HydrophobicContact CD1-CG 4.05Å; Y388-P390 HydrophobicContact CE1-CB 4.11Å; Y388-P390 HydrophobicContact CE1-CG 4.09Å; P390-S392 VanDerWaalsContact C-N 3.27Å; P390-S392 PolarHBondContact O-N 3.42Å |
| 391 | D | 53.8 | Low | 61.8 | Low | 162 Ų | 162 | 91.8 Ų | 91.8 | 87% | 0.866 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -80.1 | 8.2 | -167.2 | -88.1 | -21.4 | 0 | 0 | 0 | 116 | V389 | V389-D391 VanDerWaalsContact C-N 3.28Å; V389-D391 PolarHBondContact O-N 3.16Å |
| 392 | S | 49.3 | Very low | 61 | Low | 64 Ų | 64 | 88.8 Ų | 88.8 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -108.8 | -2.6 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | P390 D394 | P390-S392 VanDerWaalsContact C-N 3.27Å; P390-S392 PolarHBondContact O-N 3.42Å; S392-D394 PolarHBondContact O-N 3.47Å |
| 393 | G | 51 | Low | 60.2 | Low | 75 Ų | 75 | 90.1 Ų | 90.1 | 77% | 0.773 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 62.3 | 6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 394 | D | 52.6 | Low | 59.3 | Low | 52 Ų | 52 | 93.2 Ų | 93.2 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | trans | -119.2 | 100.5 | -176.7 | -169.8 | -1.9 | 0 | 0 | 0 | 108.9 | S392 Q396 | S392-D394 PolarHBondContact O-N 3.47Å; D394-Q396 PolarHBondContact O-N 2.04Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.32Å; D394-Q396 VanDerWaalsContact OD1-CG 3.29Å; D394-Q396 WeakPolarHBondContact OD1-CG 3.36Å; D394-Q396 PolarHBondContact OD1-NE2 2.96Å; D394-Q396 PolarHBondContact OD1-OE1 2.04Å | ||
| 395 | P | 54.7 | Low | 58.8 | Low | 61 Ų | 61 | 92.8 Ų | 92.8 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 18.6 | -172.8 | 26.9 | -32.7 | 0 | 0 | 0 | 115.7 | Y388 | Y388-P395 VanDerWaalsContact CE2-C 3.42Å; Y388-P395 HydrophobicContact CE2-CB 3.68Å; Y388-P395 VanDerWaalsContact CE2-O 3.26Å; Y388-P395 WeakPolarHBondContact CE2-O 3.04Å; Y388-P395 WeakPolarHBondContact OH-CA 3.1Å; Y388-P395 WeakPolarHBondContact OH-CB 3.45Å |
| 396 | Q | 61.2 | Low | 58.8 | Low | 60 Ų | 60 | 95 Ų | 95 | 28% | 0.28 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -4.8 | -159.3 | -59.4 | 162.1 | 23.2 | 0 | 0 | 112.5 | D368 D394 | D368-Q396 PolarHBondContact N-O 3.32Å; D394-Q396 PolarHBondContact O-N 2.04Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.32Å; D394-Q396 VanDerWaalsContact OD1-CG 3.29Å; D394-Q396 WeakPolarHBondContact OD1-CG 3.36Å; D394-Q396 PolarHBondContact OD1-NE2 2.96Å; D394-Q396 PolarHBondContact OD1-OE1 2.04Å |
| 397 | R | 64.3 | Low | 58.3 | Low | 148 Ų | 148 | 93.3 Ų | 93.3 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | trans | -114.2 | 125.2 | -170.8 | -56.5 | -173.4 | 90.5 | 139.4 | 3.9 | 114.7 | D368 | D368-R397 VanDerWaalsContact OD2-CA 3.3Å; D368-R397 WeakPolarHBondContact OD2-CA 3.44Å | ||
| 398 | C | 67.1 | Low | 57.9 | Low | 15 Ų | 15 | 89.8 Ų | 89.8 | 10% | 0.101 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.3 | 176 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | D368 H369 C382 F386 | D368-C398 PolarHBondContact OD2-N 3.42Å; H369-C398 PolarHBondContact ND1-SG 3.41Å; H369-C398 VanDerWaalsContact ND1-SG 3.44Å; C382-C398 WeakPolarHBondContact CA-SG 3.46Å; C382-C398 HydrophobicContact CB-CB 3.91Å; C382-C398 WeakPolarHBondContact CB-SG 3.36Å; C382-C398 WeakPolarHBondContact SG-CB 2.96Å; C382-C398 CovalentContact SG-SG 2.04Å; C382-C398 PolarHBondContact SG-SG 2.05Å; F386-C398 HydrophobicContact CB-CB 4.07Å; F386-C398 HydrophobicContact CD1-CB 4.31Å |
| 399 | R | 65.1 | Low | 57.6 | Low | 156 Ų | 156 | 86 Ų | 86 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.1 | 174.9 | -68.9 | -162 | -174 | 164.5 | -0.2 | 112.9 | F386 R387 V389 H401 | F386-R399 CarbonylContact C-O 3.45Å; F386-R399 VanDerWaalsContact CA-O 3.28Å; F386-R399 WeakPolarHBondContact CA-O 3.08Å; F386-R399 VanDerWaalsContact CD1-C 3.47Å; R387-R399 PolarHBondContact N-O 3.38Å; R387-R399 PolarHBondContact O-N 2.87Å; V389-R399 HydrophobicContact CG2-CB 3.86Å; V389-R399 HydrophobicContact CG2-CG 3.83Å; R399-H401 PolarHBondContact O-N 3.24Å |
| 400 | L | 60 | Low | 57.6 | Low | 107 Ų | 107 | 89.9 Ų | 89.9 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 130.8 | 178.9 | -165.2 | 78.7 | 0 | 0 | 0 | 110.3 | F386 | F386-L400 HydrophobicContact CD1-CB 4.36Å; F386-L400 HydrophobicContact CD1-CD1 4.5Å; F386-L400 HydrophobicContact CD2-CD1 4.3Å; F386-L400 HydrophobicContact CE1-CB 4.05Å; F386-L400 HydrophobicContact CE1-CD1 3.96Å; F386-L400 HydrophobicContact CE2-CD1 3.73Å; F386-L400 HydrophobicContact CZ-CB 4.48Å; F386-L400 HydrophobicContact CZ-CD1 3.54Å |
| 401 | H | 61.5 | Low | 58 | Low | 77 Ų | 77 | 88.2 Ų | 88.2 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | trans | -109.9 | 105.2 | 178.2 | -164.7 | -25.3 | 0 | 0 | 0 | 109.9 | G385 R387 R399 A403 | G385-H401 PolarHBondContact O-N 2.06Å; R387-H401 VanDerWaalsContact CD-CD2 3.4Å; R387-H401 WeakPolarHBondContact CD-CD2 3.07Å; R387-H401 HydrophobicContact CG-CB 4.29Å; R387-H401 VanDerWaalsContact CZ-CD2 3.45Å; R387-H401 VanDerWaalsContact CZ-NE2 3.29Å; R387-H401 PolarHBondContact NE-CD2 3.42Å; R387-H401 VanDerWaalsContact NE-CD2 3.29Å; R387-H401 PolarHBondContact NH1-NE2 3.11Å; R399-H401 PolarHBondContact O-N 3.24Å; H401-A403 PolarHBondContact O-N 3.05Å | ||
| 402 | C | 60.2 | Low | 58.2 | Low | 31 Ų | 31 | 82.5 Ų | 82.5 | 21% | 0.209 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 25.8 | -172.4 | -56.2 | 0 | 0 | 0 | 0 | 115.8 | C411 G414 | C402-C411 WeakPolarHBondContact CB-SG 3.1Å; C402-C411 PolarHBondContact O-SG 3.37Å; C402-G414 PolarHBondContact SG-O 2.85Å |
| 403 | A | 55.1 | Low | 58.6 | Low | 73 Ų | 73 | 85 Ų | 85 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -9.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H401 | H401-A403 PolarHBondContact O-N 3.05Š|
| 404 | Q | 53.1 | Low | 58.9 | Low | 186 Ų | 186 | 83 Ų | 83 | 87% | 0.869 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -136.2 | 81.3 | -177.3 | -81.2 | 172.1 | -10.5 | 0 | 0 | 112.1 | ||
| 405 | Q | 54.1 | Low | 59.2 | Low | 190 Ų | 190 | 87 Ų | 87 | 89% | 0.888 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 71.7 | 62.6 | 149.7 | -60.3 | -176.5 | 0.7 | 0 | 0 | 120.1 | ||
| 406 | S | 56.9 | Low | 59.8 | Low | 90 Ų | 90 | 85.8 Ų | 85.8 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | trans | -172.7 | 59.3 | 143.7 | 37 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 407 | C | 56.1 | Low | 60.2 | Low | 42 Ų | 42 | 91 Ų | 91 | 28% | 0.284 | 50% | 0.501 | S | S | . | . | trans | -106.9 | 112.8 | 168.6 | -152.8 | 0 | 0 | 0 | 0 | 108 | A409 C416 | C407-A409 PolarHBondContact O-N 2.8Å; C407-A409 PolarHBondContact SG-O 2.88Å; C407-C416 VanDerWaalsContact CA-SG 3.58Å; C407-C416 HydrophobicContact CB-CB 4.47Å; C407-C416 WeakPolarHBondContact CB-SG 3.3Å; C407-C416 WeakPolarHBondContact SG-CA 3.14Å; C407-C416 WeakPolarHBondContact SG-CB 3.43Å; C407-C416 CovalentContact SG-SG 2.04Å; C407-C416 PolarHBondContact SG-SG 3.27Å | ||
| 408 | P | 56.4 | Low | 60.7 | Low | 63 Ų | 63 | 85 Ų | 85 | 41% | 0.409 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -67.9 | -25.4 | -175.4 | -17 | 29.8 | 0 | 0 | 0 | 112.9 | L424 Q427 | P408-L424 HydrophobicContact CG-CD1 4.22Å; P408-Q427 WeakPolarHBondContact CB-O 3.13Å; P408-Q427 HydrophobicContact CG-CB 4.45Å; P408-Q427 WeakPolarHBondContact CG-O 3.34Å |
| 409 | A | 61.8 | Low | 61 | Low | 21 Ų | 21 | 87.3 Ų | 87.3 | 17% | 0.174 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -148.2 | 135.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | C407 R417 C418 C429 | C407-A409 PolarHBondContact O-N 2.8Å; C407-A409 PolarHBondContact SG-O 2.88Å; A409-R417 CarbonylContact C-O 3.34Å; A409-R417 VanDerWaalsContact C-O 3.23Å; A409-R417 WeakPolarHBondContact CB-O 3.44Å; A409-C418 HydrophobicContact CB-CB 4.44Å; A409-C429 WeakPolarHBondContact CB-SG 3.4Å |
| 410 | V | 61.5 | Low | 61.7 | Low | 117 Ų | 117 | 87.5 Ų | 87.5 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | trans | 4.4 | 123.3 | 178.6 | -165.7 | 0 | 0 | 0 | 0 | 118.8 | A412 R417 | V410-A412 PolarHBondContact O-N 3.12Å; V410-R417 PolarHBondContact O-N 2.96Å | ||
| 411 | C | 62 | Low | 62.3 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.6 | 166.9 | -76.3 | 0 | 0 | 0 | 0 | 111.4 | C402 | C402-C411 WeakPolarHBondContact CB-SG 3.1Å; C402-C411 PolarHBondContact O-SG 3.37Å |
| 412 | A | 57.5 | Low | 63.1 | Low | 42 Ų | 42 | 81.3 Ų | 81.3 | 35% | 0.347 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V410 G414 E415 | V410-A412 PolarHBondContact O-N 3.12Å; A412-G414 PolarHBondContact O-N 2.03Å; A412-G414 VanDerWaalsContact O-N 3.07Å; A412-E415 PolarHBondContact N-O 3.17Å; A412-E415 VanDerWaalsContact N-O 3.1Å; A412-E415 PolarHBondContact O-N 3.08Å; A412-E415 VanDerWaalsContact O-N 3.11Å; A412-E415 VanDerWaalsContact O-O 3.13Å |
| 413 | A | 57.7 | Low | 64 | Low | 116 Ų | 116 | 83.3 Ų | 83.3 | 96% | 0.959 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 24.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 414 | G | 57.8 | Low | 64.8 | Low | 34 Ų | 34 | 83.4 Ų | 83.4 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -0.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C402 A412 | C402-G414 PolarHBondContact SG-O 2.85Å; A412-G414 PolarHBondContact O-N 2.03Å; A412-G414 VanDerWaalsContact O-N 3.07Å |
| 415 | E | 59.8 | Low | 65.6 | Low | 135 Ų | 135 | 80.3 Ų | 80.3 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 147.8 | 176.5 | -65.7 | 177.6 | 179.3 | 0 | 0 | 110.7 | A412 | A412-E415 PolarHBondContact N-O 3.17Å; A412-E415 VanDerWaalsContact N-O 3.1Å; A412-E415 PolarHBondContact O-N 3.08Å; A412-E415 VanDerWaalsContact O-N 3.11Å; A412-E415 VanDerWaalsContact O-O 3.13Å |
| 416 | C | 66.9 | Low | 66.4 | Low | 36 Ų | 36 | 74.6 Ų | 74.6 | 24% | 0.243 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.3 | 174.2 | -80.3 | 0 | 0 | 0 | 0 | 110.2 | C407 L424 | C407-C416 VanDerWaalsContact CA-SG 3.58Å; C407-C416 HydrophobicContact CB-CB 4.47Å; C407-C416 WeakPolarHBondContact CB-SG 3.3Å; C407-C416 WeakPolarHBondContact SG-CA 3.14Å; C407-C416 WeakPolarHBondContact SG-CB 3.43Å; C407-C416 CovalentContact SG-SG 2.04Å; C407-C416 PolarHBondContact SG-SG 3.27Å; C416-L424 HydrophobicContact CB-CD2 4.3Å |
| 417 | R | 68.6 | Low | 66.8 | Low | 169 Ų | 169 | 77.4 Ų | 77.4 | 64% | 0.638 | 47% | 0.467 | S | S | * | . | trans | -129.7 | 133.7 | 178.8 | -63.5 | -176.2 | 78 | 177.7 | 2 | 110.7 | A409 V410 | A409-R417 CarbonylContact C-O 3.34Å; A409-R417 VanDerWaalsContact C-O 3.23Å; A409-R417 WeakPolarHBondContact CB-O 3.44Å; V410-R417 PolarHBondContact O-N 2.96Å | ||
| 418 | C | 75.4 | Confident | 67.2 | Low | 23 Ų | 23 | 82.1 Ų | 82.1 | 16% | 0.155 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 158 | 170.4 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | A409 F422 C429 | A409-C418 HydrophobicContact CB-CB 4.44Å; C418-F422 HydrophobicContact CB-CB 3.72Å; C418-F422 WeakPolarHBondContact CB-O 3.19Å; C418-C429 VanDerWaalsContact CA-SG 3.59Å; C418-C429 HydrophobicContact CB-CB 3.79Å; C418-C429 WeakPolarHBondContact CB-SG 3.29Å; C418-C429 WeakPolarHBondContact SG-CA 3Å; C418-C429 WeakPolarHBondContact SG-CB 3.02Å; C418-C429 CovalentContact SG-SG 2.04Å; C418-C429 PolarHBondContact SG-SG 3.15Å |
| 419 | A | 74.2 | Confident | 68.3 | Low | 63 Ų | 63 | 81 Ų | 81 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -61 | 157 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G421 F422 | A419-G421 PolarHBondContact O-N 3.48Å; A419-F422 HydrophobicContact CB-CD2 4.09Å; A419-F422 WeakPolarHBondContact O-CB 3.26Å; A419-F422 PolarHBondContact O-N 3.03Å |
| 420 | D | 78.2 | Confident | 69.3 | Low | 161 Ų | 161 | 82.5 Ų | 82.5 | 86% | 0.861 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 136.2 | 175.5 | -63.2 | -33.7 | 0 | 0 | 0 | 110 | ||
| 421 | G | 72.9 | Confident | 70.3 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 19% | 0.186 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -0.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A419 I432 | A419-G421 PolarHBondContact O-N 3.48Å; G421-I432 WeakPolarHBondContact O-CB 3.38Å; G421-I432 PolarHBondContact O-N 2.95Å |
| 422 | F | 79.3 | Confident | 71.4 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 15% | 0.154 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144 | 179.7 | -61.8 | -89.5 | 0 | 0 | 0 | 112.5 | C418 A419 C429 V430 D431 F448 | C418-F422 HydrophobicContact CB-CB 3.72Å; C418-F422 WeakPolarHBondContact CB-O 3.19Å; A419-F422 HydrophobicContact CB-CD2 4.09Å; A419-F422 WeakPolarHBondContact O-CB 3.26Å; A419-F422 PolarHBondContact O-N 3.03Å; F422-C429 HydrophobicContact CB-CB 4.11Å; F422-V430 CarbonylContact C-O 3.44Å; F422-V430 WeakPolarHBondContact CA-O 3.02Å; F422-D431 HydrophobicContact CD1-CB 4.35Å; F422-D431 HydrophobicContact CE1-CB 4.14Å; F422-F448 HydrophobicContact CE1-CD1 4.12Å; F422-F448 AromaticContact CE1-CD2 3.93Å; F422-F448 HydrophobicContact CE1-CD2 3.93Å; F422-F448 AromaticContact CE1-CE1 3.71Å; F422-F448 HydrophobicContact CE1-CE1 3.71Å; F422-F448 AromaticContact CE1-CE2 3.52Å; F422-F448 HydrophobicContact CE1-CE2 3.52Å; F422-F448 HydrophobicContact CE1-CG 4.23Å; F422-F448 AromaticContact CE1-CZ 3.39Å; F422-F448 HydrophobicContact CE1-CZ 3.39Å; F422-F448 AromaticContact CZ-CD1 3.67Å; F422-F448 HydrophobicContact CZ-CD1 3.67Å; F422-F448 HydrophobicContact CZ-CD2 4.28Å; F422-F448 AromaticContact CZ-CE1 3.42Å; F422-F448 HydrophobicContact CZ-CE1 3.42Å; F422-F448 VanDerWaalsContact CZ-CE1 3.42Å; F422-F448 HydrophobicContact CZ-CE2 4.08Å; F422-F448 HydrophobicContact CZ-CG 4.1Å; F422-F448 AromaticContact CZ-CZ 3.65Å; F422-F448 HydrophobicContact CZ-CZ 3.65Å |
| 423 | L | 78.9 | Confident | 72.7 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.6 | 174.2 | 100.4 | 105.6 | 0 | 0 | 0 | 111 | E425 C429 V430 I432 | L423-E425 HydrophobicContact CD1-CG 3.94Å; L423-E425 PolarHBondContact O-N 3.37Å; L423-C429 WeakPolarHBondContact O-CA 3.46Å; L423-V430 PolarHBondContact N-O 3.33Å; L423-V430 PolarHBondContact O-N 3.36Å; L423-I432 HydrophobicContact CB-CD1 4.18Å; L423-I432 HydrophobicContact CB-CG1 3.85Å; L423-I432 HydrophobicContact CD2-CG1 4.35Å |
| 424 | L | 70.5 | Confident | 74.1 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 105 | 177.4 | -173.6 | 69.9 | 0 | 0 | 0 | 109.6 | P408 C416 | P408-L424 HydrophobicContact CG-CD1 4.22Å; C416-L424 HydrophobicContact CB-CD2 4.3Å |
| 425 | E | 70.5 | Confident | 75.3 | Confident | 121 Ų | 121 | 74.5 Ų | 74.5 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106.7 | 171.4 | -108.6 | 179 | -159.7 | 0 | 0 | 109.4 | L423 Q427 Q428 V430 | L423-E425 HydrophobicContact CD1-CG 3.94Å; L423-E425 PolarHBondContact O-N 3.37Å; E425-Q427 PolarHBondContact O-N 2.03Å; E425-Q427 VanDerWaalsContact O-N 3.1Å; E425-Q428 PolarHBondContact N-O 3.33Å; E425-Q428 PolarHBondContact O-N 2.98Å; E425-Q428 VanDerWaalsContact O-N 3.11Å; E425-V430 HydrophobicContact CB-CG2 3.8Å |
| 426 | G | 70.4 | Confident | 76.3 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -109.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 427 | Q | 65.6 | Low | 76.7 | Confident | 148 Ų | 148 | 79.8 Ų | 79.8 | 69% | 0.692 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 24.3 | 177.5 | -65.6 | -177.3 | 24.2 | 0 | 0 | 112.2 | P408 E425 | P408-Q427 WeakPolarHBondContact CB-O 3.13Å; P408-Q427 HydrophobicContact CG-CB 4.45Å; P408-Q427 WeakPolarHBondContact CG-O 3.34Å; E425-Q427 PolarHBondContact O-N 2.03Å; E425-Q427 VanDerWaalsContact O-N 3.1Å |
| 428 | Q | 65.4 | Low | 77 | Confident | 142 Ų | 142 | 74.5 Ų | 74.5 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.4 | 177.9 | -66.6 | -174.6 | -17.8 | 0 | 0 | 110.5 | E425 V430 | E425-Q428 PolarHBondContact N-O 3.33Å; E425-Q428 PolarHBondContact O-N 2.98Å; E425-Q428 VanDerWaalsContact O-N 3.11Å; Q428-V430 PolarHBondContact O-N 3.27Å |
| 429 | C | 79.4 | Confident | 77 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 26% | 0.257 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 109.9 | 168.6 | -67.4 | 0 | 0 | 0 | 0 | 107.6 | A409 C418 F422 L423 | A409-C429 WeakPolarHBondContact CB-SG 3.4Å; C418-C429 VanDerWaalsContact CA-SG 3.59Å; C418-C429 HydrophobicContact CB-CB 3.79Å; C418-C429 WeakPolarHBondContact CB-SG 3.29Å; C418-C429 WeakPolarHBondContact SG-CA 3Å; C418-C429 WeakPolarHBondContact SG-CB 3.02Å; C418-C429 CovalentContact SG-SG 2.04Å; C418-C429 PolarHBondContact SG-SG 3.15Å; F422-C429 HydrophobicContact CB-CB 4.11Å; L423-C429 WeakPolarHBondContact O-CA 3.46Å |
| 430 | V | 82.2 | Confident | 77.3 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 33% | 0.327 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.6 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | F422 L423 E425 Q428 I432 | F422-V430 CarbonylContact C-O 3.44Å; F422-V430 WeakPolarHBondContact CA-O 3.02Å; L423-V430 PolarHBondContact N-O 3.33Å; L423-V430 PolarHBondContact O-N 3.36Å; E425-V430 HydrophobicContact CB-CG2 3.8Å; Q428-V430 PolarHBondContact O-N 3.27Å; V430-I432 PolarHBondContact O-N 3.34Å |
| 431 | D | 83.1 | Confident | 77.2 | Confident | 38 Ų | 38 | 77 Ų | 77 | 20% | 0.203 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 130.1 | 175 | -173.3 | 55.8 | 0 | 0 | 0 | 110.4 | F422 D433 N446 F448 G449 | F422-D431 HydrophobicContact CD1-CB 4.35Å; F422-D431 HydrophobicContact CE1-CB 4.14Å; D431-D433 PolarHBondContact O-N 2.95Å; D431-N446 PolarHBondContact OD2-ND2 2.97Å; D431-F448 HydrophobicContact CB-CD2 4.23Å; D431-F448 WeakPolarHBondContact OD1-CA 3.41Å; D431-G449 PolarHBondContact OD1-N 3.39Å |
| 432 | I | 85.6 | Confident | 77.5 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 21% | 0.21 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 121.9 | 175.8 | -65.4 | 171.6 | 0 | 0 | 0 | 107.3 | G421 L423 V430 E434 M437 N446 | G421-I432 WeakPolarHBondContact O-CB 3.38Å; G421-I432 PolarHBondContact O-N 2.95Å; L423-I432 HydrophobicContact CB-CD1 4.18Å; L423-I432 HydrophobicContact CB-CG1 3.85Å; L423-I432 HydrophobicContact CD2-CG1 4.35Å; V430-I432 PolarHBondContact O-N 3.34Å; I432-E434 HydrophobicContact CG2-CG 4Å; I432-E434 PolarHBondContact O-N 3.36Å; I432-M437 HydrophobicContact CG2-CE 3.35Å; I432-M437 HydrophobicContact CG2-SD 4.16Å; I432-N446 PolarHBondContact O-OD1 3.24Å |
| 433 | D | 84.2 | Confident | 77.6 | Confident | 75 Ų | 75 | 83.3 Ų | 83.3 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | trans | -76.8 | 89.2 | 169.9 | -172.6 | -18.9 | 0 | 0 | 0 | 109.8 | D431 C435 H436 | D431-D433 PolarHBondContact O-N 2.95Å; D433-C435 PolarHBondContact O-N 2.84Å; D433-C435 VanDerWaalsContact OD1-CB 3.26Å; D433-C435 WeakPolarHBondContact OD1-CB 3.49Å; D433-C435 PolarHBondContact OD1-N 3.07Å; D433-C435 VanDerWaalsContact OD1-N 3.13Å; D433-H436 HydrophobicContact CB-CB 4.29Å; D433-H436 PolarHBondContact O-N 2.04Å; D433-H436 VanDerWaalsContact O-N 3.17Å; D433-H436 PolarHBondContact OD1-N 3.31Å; D433-H436 VanDerWaalsContact OD1-N 3.17Å | ||
| 434 | E | 87.4 | Confident | 78 | Confident | 12 Ų | 12 | 82 Ų | 82 | 6% | 0.056 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.2 | -178.4 | -55.2 | 93.9 | 162.1 | 0 | 0 | 113 | I432 M437 G438 Q439 N446 F451 | I432-E434 HydrophobicContact CG2-CG 4Å; I432-E434 PolarHBondContact O-N 3.36Å; E434-M437 HydrophobicContact CB-CE 4.32Å; E434-M437 HydrophobicContact CG-CE 4.1Å; E434-M437 PolarHBondContact O-N 3.3Å; E434-G438 PolarHBondContact O-N 2.86Å; E434-Q439 HydrophobicContact CB-CG 4.44Å; E434-Q439 PolarHBondContact O-N 3.5Å; E434-N446 PolarHBondContact OE2-OD1 3.1Å; E434-N446 VanDerWaalsContact OE2-OD1 3.1Å; E434-F451 HydrophobicContact CB-CB 4.02Å; E434-F451 HydrophobicContact CB-CD1 3.37Å; E434-F451 HydrophobicContact CB-CD2 4.47Å; E434-F451 HydrophobicContact CB-CE1 3.91Å; E434-F451 HydrophobicContact CB-CG 3.7Å; E434-F451 HydrophobicContact CG-CD1 3.52Å; E434-F451 HydrophobicContact CG-CE1 4Å; E434-F451 HydrophobicContact CG-CG 4.3Å; E434-F451 WeakPolarHBondContact OE2-CB 3.05Å |
| 435 | C | 83.4 | Confident | 78.7 | Confident | 36 Ų | 36 | 83.5 Ų | 83.5 | 24% | 0.243 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -36.1 | 173 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | D433 M437 G438 C444 L445 N446 | D433-C435 PolarHBondContact O-N 2.84Å; D433-C435 VanDerWaalsContact OD1-CB 3.26Å; D433-C435 WeakPolarHBondContact OD1-CB 3.49Å; D433-C435 PolarHBondContact OD1-N 3.07Å; D433-C435 VanDerWaalsContact OD1-N 3.13Å; C435-M437 PolarHBondContact O-N 3.45Å; C435-G438 PolarHBondContact O-N 2.8Å; C435-C444 WeakPolarHBondContact CA-SG 3.34Å; C435-C444 HydrophobicContact CB-CB 3.66Å; C435-C444 WeakPolarHBondContact CB-SG 3.19Å; C435-C444 WeakPolarHBondContact SG-CB 3.45Å; C435-C444 CovalentContact SG-SG 2.02Å; C435-C444 PolarHBondContact SG-SG 3.17Å; C435-L445 VanDerWaalsContact SG-C 3.51Å; C435-N446 PolarHBondContact SG-N 3.4Å |
| 436 | H | 81.2 | Confident | 79.4 | Confident | 170 Ų | 170 | 80.1 Ų | 80.1 | 79% | 0.787 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.9 | 175.3 | -152.2 | 79 | 0 | 0 | 0 | 112.7 | D433 G438 | D433-H436 HydrophobicContact CB-CB 4.29Å; D433-H436 PolarHBondContact O-N 2.04Å; D433-H436 VanDerWaalsContact O-N 3.17Å; D433-H436 PolarHBondContact OD1-N 3.31Å; D433-H436 VanDerWaalsContact OD1-N 3.17Å; H436-G438 VanDerWaalsContact C-N 3.31Å |
| 437 | M | 74.8 | Confident | 80 | Confident | 112 Ų | 112 | 79.4 Ų | 79.4 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -0.2 | 176.7 | -60.6 | -163 | -60.7 | 0 | 0 | 113.9 | I432 E434 C435 Q439 | I432-M437 HydrophobicContact CG2-CE 3.35Å; I432-M437 HydrophobicContact CG2-SD 4.16Å; E434-M437 HydrophobicContact CB-CE 4.32Å; E434-M437 HydrophobicContact CG-CE 4.1Å; E434-M437 PolarHBondContact O-N 3.3Å; C435-M437 PolarHBondContact O-N 3.45Å; M437-Q439 HydrophobicContact CB-CG 4.5Å |
| 438 | G | 74.2 | Confident | 80.9 | Confident | 58 Ų | 58 | 80.6 Ų | 80.6 | 60% | 0.598 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 33.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E434 C435 H436 C440 | E434-G438 PolarHBondContact O-N 2.86Å; C435-G438 PolarHBondContact O-N 2.8Å; H436-G438 VanDerWaalsContact C-N 3.31Å; G438-C440 VanDerWaalsContact C-N 3.32Å; G438-C440 PolarHBondContact O-N 2.9Å |
| 439 | Q | 75.2 | Confident | 81.6 | Confident | 103 Ų | 103 | 74.8 Ų | 74.8 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | trans | -81.7 | 1.4 | -178.3 | -63.2 | -157.5 | 3.3 | 0 | 0 | 115.4 | E434 M437 F451 | E434-Q439 HydrophobicContact CB-CG 4.44Å; E434-Q439 PolarHBondContact O-N 3.5Å; M437-Q439 HydrophobicContact CB-CG 4.5Å; Q439-F451 HydrophobicContact CB-CD2 4.48Å; Q439-F451 HydrophobicContact CB-CE1 4.43Å; Q439-F451 HydrophobicContact CB-CE2 3.75Å; Q439-F451 HydrophobicContact CB-CZ 3.72Å | ||
| 440 | C | 80.1 | Confident | 81.9 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | trans | -128.8 | 144.8 | 173.6 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | G438 C444 C453 | G438-C440 VanDerWaalsContact C-N 3.32Å; G438-C440 PolarHBondContact O-N 2.9Å; C440-C444 HydrophobicContact CB-CB 3.89Å; C440-C444 PolarHBondContact SG-SG 2.79Å; C440-C453 HydrophobicContact CB-CB 3.82Å; C440-C453 WeakPolarHBondContact CB-SG 3.45Å; C440-C453 VanDerWaalsContact SG-CA 3.52Å; C440-C453 WeakPolarHBondContact SG-CB 3.08Å; C440-C453 CovalentContact SG-SG 2.03Å; C440-C453 PolarHBondContact SG-SG 3.45Å | ||
| 441 | D | 76.9 | Confident | 82.1 | Confident | 171 Ų | 171 | 76 Ų | 76 | 91% | 0.914 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82.2 | -23.7 | -179.6 | -73.3 | -29.7 | 0 | 0 | 0 | 114.7 | ||
| 442 | Q | 78.5 | Confident | 82.2 | Confident | 136 Ų | 136 | 79.2 Ų | 79.2 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -122.3 | -98.2 | -174.3 | -69.3 | -173.5 | -37.8 | 0 | 0 | 112.8 | C455 | Q442-C455 PolarHBondContact OE1-OXT 3.08Å; Q442-C455 VanDerWaalsContact OE1-OXT 3.13Å |
| 443 | S | 81.5 | Confident | 82.3 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.3 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | C453 S454 | S443-C453 WeakPolarHBondContact O-CA 3.35Å; S443-S454 PolarHBondContact N-O 3.45Å; S443-S454 PolarHBondContact O-N 2.86Å; S443-S454 VanDerWaalsContact OG-C 3.25Å; S443-S454 WeakPolarHBondContact OG-CB 3.28Å; S443-S454 PolarHBondContact OG-O 3.29Å; S443-S454 PolarHBondContact OG-OG 2.67Å |
| 444 | C | 87.6 | Confident | 82.2 | Confident | 46 Ų | 46 | 79.7 Ų | 79.7 | 31% | 0.311 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.4 | -178.9 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | C435 C440 | C435-C444 WeakPolarHBondContact CA-SG 3.34Å; C435-C444 HydrophobicContact CB-CB 3.66Å; C435-C444 WeakPolarHBondContact CB-SG 3.19Å; C435-C444 WeakPolarHBondContact SG-CB 3.45Å; C435-C444 CovalentContact SG-SG 2.02Å; C435-C444 PolarHBondContact SG-SG 3.17Å; C440-C444 HydrophobicContact CB-CB 3.89Å; C440-C444 PolarHBondContact SG-SG 2.79Å |
| 445 | L | 86 | Confident | 81.8 | Confident | 106 Ų | 106 | 86.8 Ų | 86.8 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.1 | 170.8 | -178.1 | 69.8 | 0 | 0 | 0 | 109 | C435 T447 F451 L452 | C435-L445 VanDerWaalsContact SG-C 3.51Å; L445-T447 HydrophobicContact CD2-CG2 4.45Å; L445-T447 HydrophobicContact CG-CG2 4.42Å; L445-F451 WeakPolarHBondContact O-CA 3.33Å; L445-L452 PolarHBondContact N-O 3.17Å; L445-L452 PolarHBondContact O-N 2.68Å |
| 446 | N | 83.9 | Confident | 81.7 | Confident | 50 Ų | 50 | 89.4 Ų | 89.4 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.6 | 172.9 | -173.6 | 40.4 | 0 | 0 | 0 | 109.8 | D431 I432 E434 C435 | D431-N446 PolarHBondContact OD2-ND2 2.97Å; I432-N446 PolarHBondContact O-OD1 3.24Å; E434-N446 PolarHBondContact OE2-OD1 3.1Å; E434-N446 VanDerWaalsContact OE2-OD1 3.1Å; C435-N446 PolarHBondContact SG-N 3.4Å |
| 447 | T | 83.8 | Confident | 81.7 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 34% | 0.337 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 158.1 | 178.2 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | L445 G449 S450 | L445-T447 HydrophobicContact CD2-CG2 4.45Å; L445-T447 HydrophobicContact CG-CG2 4.42Å; T447-G449 PolarHBondContact O-N 3.11Å; T447-S450 CarbonylContact C-O 3.58Å; T447-S450 VanDerWaalsContact CA-O 3.24Å; T447-S450 WeakPolarHBondContact CA-O 3.39Å; T447-S450 WeakPolarHBondContact CB-O 3.4Å; T447-S450 PolarHBondContact N-O 3.44Å; T447-S450 CarbonylContact O-C 3.56Å; T447-S450 PolarHBondContact O-N 3.07Å; T447-S450 VanDerWaalsContact O-N 3.08Å; T447-S450 PolarHBondContact OG1-O 3.28Å |
| 448 | F | 84 | Confident | 82.1 | Confident | 173 Ų | 173 | 83.6 Ų | 83.6 | 76% | 0.759 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 110.7 | -176.9 | -171.4 | -99.1 | 0 | 0 | 0 | 111.4 | F422 D431 | F422-F448 HydrophobicContact CE1-CD1 4.12Å; F422-F448 AromaticContact CE1-CD2 3.93Å; F422-F448 HydrophobicContact CE1-CD2 3.93Å; F422-F448 AromaticContact CE1-CE1 3.71Å; F422-F448 HydrophobicContact CE1-CE1 3.71Å; F422-F448 AromaticContact CE1-CE2 3.52Å; F422-F448 HydrophobicContact CE1-CE2 3.52Å; F422-F448 HydrophobicContact CE1-CG 4.23Å; F422-F448 AromaticContact CE1-CZ 3.39Å; F422-F448 HydrophobicContact CE1-CZ 3.39Å; F422-F448 AromaticContact CZ-CD1 3.67Å; F422-F448 HydrophobicContact CZ-CD1 3.67Å; F422-F448 HydrophobicContact CZ-CD2 4.28Å; F422-F448 AromaticContact CZ-CE1 3.42Å; F422-F448 HydrophobicContact CZ-CE1 3.42Å; F422-F448 VanDerWaalsContact CZ-CE1 3.42Å; F422-F448 HydrophobicContact CZ-CE2 4.08Å; F422-F448 HydrophobicContact CZ-CG 4.1Å; F422-F448 AromaticContact CZ-CZ 3.65Å; F422-F448 HydrophobicContact CZ-CZ 3.65Å; D431-F448 HydrophobicContact CB-CD2 4.23Å; D431-F448 WeakPolarHBondContact OD1-CA 3.41Å |
| 449 | G | 81.4 | Confident | 82.6 | Confident | 21 Ų | 21 | 85.1 Ų | 85.1 | 22% | 0.216 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 10.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D431 T447 | D431-G449 PolarHBondContact OD1-N 3.39Å; T447-G449 PolarHBondContact O-N 3.11Å |
| 450 | S | 84.9 | Confident | 83.1 | Confident | 59 Ų | 59 | 84 Ų | 84 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -178.5 | -179.3 | -155.2 | 0 | 0 | 0 | 0 | 112.6 | T447 | T447-S450 CarbonylContact C-O 3.58Å; T447-S450 VanDerWaalsContact CA-O 3.24Å; T447-S450 WeakPolarHBondContact CA-O 3.39Å; T447-S450 WeakPolarHBondContact CB-O 3.4Å; T447-S450 PolarHBondContact N-O 3.44Å; T447-S450 CarbonylContact O-C 3.56Å; T447-S450 PolarHBondContact O-N 3.07Å; T447-S450 VanDerWaalsContact O-N 3.08Å; T447-S450 PolarHBondContact OG1-O 3.28Å |
| 451 | F | 87.4 | Confident | 83.3 | Confident | 59 Ų | 59 | 87.9 Ų | 87.9 | 26% | 0.259 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.8 | 174.4 | 61.9 | -75.3 | 0 | 0 | 0 | 111.3 | E434 Q439 L445 | E434-F451 HydrophobicContact CB-CB 4.02Å; E434-F451 HydrophobicContact CB-CD1 3.37Å; E434-F451 HydrophobicContact CB-CD2 4.47Å; E434-F451 HydrophobicContact CB-CE1 3.91Å; E434-F451 HydrophobicContact CB-CG 3.7Å; E434-F451 HydrophobicContact CG-CD1 3.52Å; E434-F451 HydrophobicContact CG-CE1 4Å; E434-F451 HydrophobicContact CG-CG 4.3Å; E434-F451 WeakPolarHBondContact OE2-CB 3.05Å; Q439-F451 HydrophobicContact CB-CD2 4.48Å; Q439-F451 HydrophobicContact CB-CE1 4.43Å; Q439-F451 HydrophobicContact CB-CE2 3.75Å; Q439-F451 HydrophobicContact CB-CZ 3.72Å; L445-F451 WeakPolarHBondContact O-CA 3.33Å |
| 452 | L | 85.1 | Confident | 83.7 | Confident | 105 Ų | 105 | 81.9 Ų | 81.9 | 55% | 0.55 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125 | 173.9 | -162.2 | 85.8 | 0 | 0 | 0 | 109.9 | L445 | L445-L452 PolarHBondContact N-O 3.17Å; L445-L452 PolarHBondContact O-N 2.68Å |
| 453 | C | 86.1 | Confident | 84.1 | Confident | 66 Ų | 66 | 77.8 Ų | 77.8 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.6 | 167.5 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | C440 S443 | C440-C453 HydrophobicContact CB-CB 3.82Å; C440-C453 WeakPolarHBondContact CB-SG 3.45Å; C440-C453 VanDerWaalsContact SG-CA 3.52Å; C440-C453 WeakPolarHBondContact SG-CB 3.08Å; C440-C453 CovalentContact SG-SG 2.03Å; C440-C453 PolarHBondContact SG-SG 3.45Å; S443-C453 WeakPolarHBondContact O-CA 3.35Å |
| 454 | S | 82.5 | Confident | 84.3 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 152.4 | 169 | 44 | 0 | 0 | 0 | 0 | 111.6 | S443 | S443-S454 PolarHBondContact N-O 3.45Å; S443-S454 PolarHBondContact O-N 2.86Å; S443-S454 VanDerWaalsContact OG-C 3.25Å; S443-S454 WeakPolarHBondContact OG-CB 3.28Å; S443-S454 PolarHBondContact OG-O 3.29Å; S443-S454 PolarHBondContact OG-OG 2.67Å |
| 455 | C | 79.3 | Confident | 84 | Confident | 162 Ų | 162 | 83.2 Ų | 83.2 | 100% | 1.095 | 48% | 0.483 | S | S | * | . | trans | -89.8 | 0 | 179.5 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | Q442 | Q442-C455 PolarHBondContact OE1-OXT 3.08Å; Q442-C455 VanDerWaalsContact OE1-OXT 3.13Å |
Retrieved 455 of 455 residues in 490.7 ms
(Link to these results)