| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64 | Low | 68.8 | Low | 201 Ų | 201 | 110.4 Ų | 110.4 | 99% | 0.99 | 61% | 0.608 | S | S | * | * | 0 | -35.2 | 0 | -71.6 | -147.1 | 79.8 | 0 | 0 | 113.9 | V3 L4 V5 | M1-V3 PolarHBondContact O-N 3.24Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-V5 WeakPolarHBondContact O-CG2 3.22Å; M1-V5 PolarHBondContact O-N 2.97Å | |||
| 2 | L | 64.4 | Low | 68.5 | Low | 141 Ų | 141 | 108.8 Ų | 108.8 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.8 | -37.7 | 179.9 | -136.7 | 88 | 0 | 0 | 0 | 114.4 | V5 L6 | L2-V5 PolarHBondContact O-N 3.31Å; L2-L6 PolarHBondContact O-N 3.11Å |
| 3 | V | 69.3 | Low | 67.6 | Low | 115 Ų | 115 | 108.5 Ų | 108.5 | 70% | 0.697 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.7 | -37.3 | -179 | -178 | 0 | 0 | 0 | 0 | 111.6 | M1 V5 L6 V7 | M1-V3 PolarHBondContact O-N 3.24Å; V3-V5 VanDerWaalsContact C-N 3.3Å; V3-V5 PolarHBondContact O-N 3.39Å; V3-L6 PolarHBondContact O-N 2.86Å; V3-V7 VanDerWaalsContact O-CG2 3.31Å; V3-V7 WeakPolarHBondContact O-CG2 3.46Å; V3-V7 PolarHBondContact O-N 2.77Å |
| 4 | L | 70.9 | Confident | 67 | Low | 131 Ų | 131 | 108.5 Ų | 108.5 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.6 | -32.5 | 178 | -139.2 | 101.9 | 0 | 0 | 0 | 111.8 | M1 V8 | M1-L4 PolarHBondContact O-N 2.92Å; L4-V8 WeakPolarHBondContact O-CG2 3.13Å; L4-V8 PolarHBondContact O-N 3.48Å |
| 5 | V | 72.4 | Confident | 66.1 | Low | 79 Ų | 79 | 107.8 Ų | 107.8 | 48% | 0.479 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.5 | -40.3 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | M1 L2 V3 V8 L9 | M1-V5 WeakPolarHBondContact O-CG2 3.22Å; M1-V5 PolarHBondContact O-N 2.97Å; L2-V5 PolarHBondContact O-N 3.31Å; V3-V5 VanDerWaalsContact C-N 3.3Å; V3-V5 PolarHBondContact O-N 3.39Å; V5-V8 PolarHBondContact O-N 3.03Å; V5-L9 HydrophobicContact CG1-CD1 3.59Å; V5-L9 WeakPolarHBondContact O-CB 3.41Å; V5-L9 PolarHBondContact O-N 3.12Å |
| 6 | L | 71.9 | Confident | 65 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.2 | -39.5 | 176.6 | -94.5 | 148.6 | 0 | 0 | 0 | 113.2 | L2 V3 V8 I10 | L2-L6 PolarHBondContact O-N 3.11Å; V3-L6 PolarHBondContact O-N 2.86Å; L6-V8 VanDerWaalsContact C-N 3.26Å; L6-V8 PolarHBondContact O-N 3.37Å; L6-I10 HydrophobicContact CD2-CD1 3.97Å; L6-I10 WeakPolarHBondContact O-CD1 3.15Å; L6-I10 VanDerWaalsContact O-CG1 3.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 3.46Å |
| 7 | V | 76 | Confident | 63.9 | Low | 98 Ų | 98 | 107.6 Ų | 107.6 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.3 | -24.4 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | V3 P11 | V3-V7 VanDerWaalsContact O-CG2 3.31Å; V3-V7 WeakPolarHBondContact O-CG2 3.46Å; V3-V7 PolarHBondContact O-N 2.77Å; V7-P11 WeakPolarHBondContact O-CD 3.5Å; V7-P11 VanDerWaalsContact O-CG 3.3Å; V7-P11 WeakPolarHBondContact O-CG 3.45Å |
| 8 | V | 73 | Confident | 63.1 | Low | 91 Ų | 91 | 105.6 Ų | 105.6 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -93.3 | -33.6 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | L4 V5 L6 P11 V12 | L4-V8 WeakPolarHBondContact O-CG2 3.13Å; L4-V8 PolarHBondContact O-N 3.48Å; V5-V8 PolarHBondContact O-N 3.03Å; L6-V8 VanDerWaalsContact C-N 3.26Å; L6-V8 PolarHBondContact O-N 3.37Å; V8-P11 WeakPolarHBondContact O-CD 3.31Å; V8-V12 VanDerWaalsContact O-CG2 3.26Å; V8-V12 WeakPolarHBondContact O-CG2 3.39Å |
| 9 | L | 68.2 | Low | 62.2 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 48% | 0.482 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.6 | -36.6 | -179.2 | -92.5 | 160.6 | 0 | 0 | 0 | 113.7 | V5 V12 L13 | V5-L9 HydrophobicContact CG1-CD1 3.59Å; V5-L9 WeakPolarHBondContact O-CB 3.41Å; V5-L9 PolarHBondContact O-N 3.12Å; L9-V12 PolarHBondContact O-N 3.36Å; L9-L13 PolarHBondContact O-N 3.02Å |
| 10 | I | 66.1 | Low | 61.2 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 51% | 0.508 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.8 | -46 | -175.8 | -64 | 168.2 | 0 | 0 | 0 | 111.9 | L6 V12 L13 V14 | L6-I10 HydrophobicContact CD2-CD1 3.97Å; L6-I10 WeakPolarHBondContact O-CD1 3.15Å; L6-I10 VanDerWaalsContact O-CG1 3.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 3.46Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 3.31Å; I10-L13 PolarHBondContact O-N 2.71Å; I10-V14 VanDerWaalsContact O-CG2 3.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.21Å; I10-V14 PolarHBondContact O-N 3.09Å; I10-V14 VanDerWaalsContact O-N 3.16Å |
| 11 | P | 60.5 | Low | 60.1 | Low | 70 Ų | 70 | 103 Ų | 103 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.2 | -32.8 | 176.1 | -20.4 | 31.8 | 0 | 0 | 0 | 113.7 | V7 V8 S15 | V7-P11 WeakPolarHBondContact O-CD 3.5Å; V7-P11 VanDerWaalsContact O-CG 3.3Å; V7-P11 WeakPolarHBondContact O-CG 3.45Å; V8-P11 WeakPolarHBondContact O-CD 3.31Å; P11-S15 WeakPolarHBondContact O-CB 3.47Å; P11-S15 PolarHBondContact O-N 3.36Å; P11-S15 VanDerWaalsContact O-N 3.09Å; P11-S15 PolarHBondContact O-OG 2.97Å |
| 12 | V | 64.9 | Low | 59.2 | Low | 91 Ų | 91 | 100 Ų | 100 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.7 | -40.1 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | V8 L9 I10 S15 S16 | V8-V12 VanDerWaalsContact O-CG2 3.26Å; V8-V12 WeakPolarHBondContact O-CG2 3.39Å; L9-V12 PolarHBondContact O-N 3.36Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 3.31Å; V12-S15 PolarHBondContact O-N 3.01Å; V12-S16 PolarHBondContact O-N 3.11Å |
| 13 | L | 57.2 | Low | 58.2 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 174.4 | -84.5 | 157.2 | 0 | 0 | 0 | 112 | L9 I10 S15 S16 | L9-L13 PolarHBondContact O-N 3.02Å; I10-L13 PolarHBondContact O-N 2.71Å; L13-S15 VanDerWaalsContact C-N 3.29Å; L13-S15 PolarHBondContact O-N 3.46Å; L13-S16 PolarHBondContact O-N 3.34Å; L13-S16 PolarHBondContact O-OG 3.39Å |
| 14 | V | 59 | Low | 57 | Low | 108 Ų | 108 | 103.1 Ų | 103.1 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.3 | -33.8 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | I10 S16 | I10-V14 VanDerWaalsContact O-CG2 3.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.21Å; I10-V14 PolarHBondContact O-N 3.09Å; I10-V14 VanDerWaalsContact O-N 3.16Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 2.91Å |
| 15 | S | 53.3 | Low | 55.6 | Low | 98 Ų | 98 | 101.3 Ų | 101.3 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.9 | -15.8 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 113.6 | P11 V12 L13 | P11-S15 WeakPolarHBondContact O-CB 3.47Å; P11-S15 PolarHBondContact O-N 3.36Å; P11-S15 VanDerWaalsContact O-N 3.09Å; P11-S15 PolarHBondContact O-OG 2.97Å; V12-S15 PolarHBondContact O-N 3.01Å; L13-S15 VanDerWaalsContact C-N 3.29Å; L13-S15 PolarHBondContact O-N 3.46Å |
| 16 | S | 49.1 | Very low | 54.1 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 57% | 0.573 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -92.6 | -9.5 | -177.3 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | V12 L13 V14 G18 | V12-S16 PolarHBondContact O-N 3.11Å; L13-S16 PolarHBondContact O-N 3.34Å; L13-S16 PolarHBondContact O-OG 3.39Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 2.91Å; S16-G18 VanDerWaalsContact C-N 3.34Å |
| 17 | V | 46.9 | Very low | 52.5 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -88.7 | -0.8 | 178.5 | 173 | 0 | 0 | 0 | 0 | 112.6 | ||
| 18 | G | 47.8 | Very low | 50.5 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -109.6 | 50.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S16 | S16-G18 VanDerWaalsContact C-N 3.34Š|
| 19 | A | 47.8 | Very low | 48.9 | Very low | 99 Ų | 99 | 108.6 Ų | 108.6 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -162.9 | 85.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 20 | G | 41.9 | Very low | 47.6 | Very low | 85 Ų | 85 | 110.8 Ų | 110.8 | 88% | 0.876 | 70% | 0.7 | S | S | * | * | trans | 167 | 90.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | G | 37.7 | Very low | 46.6 | Very low | 77 Ų | 77 | 114.8 Ų | 114.8 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | 169.5 | 67.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D23 | G21-D23 PolarHBondContact O-N 2.94Š| ||
| 22 | T | 46 | Very low | 46 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -71.2 | 110.4 | 154.4 | 43.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 23 | D | 41.4 | Very low | 45.1 | Very low | 148 Ų | 148 | 118 Ų | 118 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -151.5 | 95.1 | 158.1 | -99.9 | -22.1 | 0 | 0 | 0 | 108.7 | G21 S25 | G21-D23 PolarHBondContact O-N 2.94Å; D23-S25 VanDerWaalsContact C-N 3.29Å; D23-S25 PolarHBondContact O-N 3.11Å | ||
| 24 | D | 45.4 | Very low | 44.7 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | -67.3 | 93 | 156.6 | -90.2 | -33.1 | 0 | 0 | 0 | 107.3 | ||||
| 25 | S | 41.7 | Very low | 44 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -142.8 | 74.2 | 165.4 | -71.4 | 0 | 0 | 0 | 0 | 107.6 | D23 S27 | D23-S25 VanDerWaalsContact C-N 3.29Å; D23-S25 PolarHBondContact O-N 3.11Å; S25-S27 PolarHBondContact O-N 3.15Å | ||
| 26 | A | 40.6 | Very low | 43.5 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -53.7 | 103.6 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | H28 | A26-H28 PolarHBondContact O-N 2.78Š| ||
| 27 | S | 38.5 | Very low | 43.4 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | trans | -70.6 | 86.2 | 169 | 26.9 | 0 | 0 | 0 | 0 | 107.2 | S25 Y29 | S25-S27 PolarHBondContact O-N 3.15Å; S27-Y29 WeakPolarHBondContact O-CD1 3.46Å; S27-Y29 WeakPolarHBondContact O-CE1 3.36Å; S27-Y29 PolarHBondContact O-N 3.17Å | ||
| 28 | H | 32.6 | Very low | 43.3 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 65% | 0.648 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 98 | 172.7 | -170.2 | -71.4 | 0 | 0 | 0 | 108.5 | A26 E30 | A26-H28 PolarHBondContact O-N 2.78Å; H28-E30 IonicContact CE1-OE1 3.39Å; H28-E30 PolarHBondContact CE1-OE1 3.19Å; H28-E30 PolarHBondContact O-N 2.74Å | ||
| 29 | Y | 40.6 | Very low | 43.2 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -82.2 | 99.4 | 167.4 | 6.3 | -90.4 | 0 | 0 | 0 | 108 | S27 M31 | S27-Y29 WeakPolarHBondContact O-CD1 3.46Å; S27-Y29 WeakPolarHBondContact O-CE1 3.36Å; S27-Y29 PolarHBondContact O-N 3.17Å; Y29-M31 PolarHBondContact O-N 3.29Å | ||
| 30 | E | 41 | Very low | 43 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | trans | -85.7 | 105.3 | 174.4 | -149.1 | 165.1 | -133.6 | 0 | 0 | 108.5 | H28 L32 | H28-E30 IonicContact CE1-OE1 3.39Å; H28-E30 PolarHBondContact CE1-OE1 3.19Å; H28-E30 PolarHBondContact O-N 2.74Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.23Å | ||
| 31 | M | 43.8 | Very low | 43.1 | Very low | 182 Ų | 182 | 135 Ų | 135 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -71.2 | 88.4 | 174.2 | -69.9 | -106.7 | -77.9 | 0 | 0 | 109.2 | Y29 G33 | Y29-M31 PolarHBondContact O-N 3.29Å; M31-G33 PolarHBondContact O-N 2.67Å | ||
| 32 | L | 48.6 | Very low | 43.1 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -76.1 | 77.4 | 169.6 | -72.2 | 170.2 | 0 | 0 | 0 | 109.9 | E30 | E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.23Å | ||
| 33 | G | 46.1 | Very low | 42.9 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | -157.4 | 109.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M31 C35 | M31-G33 PolarHBondContact O-N 2.67Å; G33-C35 PolarHBondContact O-N 3.28Å | ||
| 34 | T | 49.7 | Very low | 42.9 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 109.2 | 169.4 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | R36 | T34-R36 PolarHBondContact O-N 3.29Š| ||
| 35 | C | 43 | Very low | 42.8 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -68 | 102.1 | 165.9 | -90.7 | 0 | 0 | 0 | 0 | 108.2 | G33 | G33-C35 PolarHBondContact O-N 3.28Š| ||
| 36 | R | 43.9 | Very low | 42.4 | Very low | 224 Ų | 224 | 136 Ų | 136 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -95.8 | 113.4 | 172.7 | -148.4 | 179.6 | -171.3 | -174.2 | 2.6 | 108.3 | T34 V38 | T34-R36 PolarHBondContact O-N 3.29Å; R36-V38 PolarHBondContact O-N 2.85Å; R36-V38 VanDerWaalsContact O-N 3.14Å | ||
| 37 | M | 47.3 | Very low | 42.2 | Very low | 165 Ų | 165 | 138 Ų | 138 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -63.6 | 110.7 | 167.9 | -72.7 | -74.3 | -76.4 | 0 | 0 | 108.3 | C39 | M37-C39 PolarHBondContact O-N 3.2Š| ||
| 38 | V | 44.7 | Very low | 42 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | trans | -84.9 | 90.7 | 165.2 | -177.7 | 0 | 0 | 0 | 0 | 106.1 | R36 D40 | R36-V38 PolarHBondContact O-N 2.85Å; R36-V38 VanDerWaalsContact O-N 3.14Å; V38-D40 PolarHBondContact O-N 3.43Å | ||
| 39 | C | 45.3 | Very low | 42 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 69% | 0.689 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 100.5 | 162.4 | -64.7 | 0 | 0 | 0 | 0 | 106.9 | M37 P41 | M37-C39 PolarHBondContact O-N 3.2Å; C39-P41 WeakPolarHBondContact O-CD 3.4Å | ||
| 40 | D | 43.8 | Very low | 41.8 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -64.3 | 123 | 163.4 | -77.2 | -28.3 | 0 | 0 | 0 | 108.1 | V38 F42 | V38-D40 PolarHBondContact O-N 3.43Å; D40-F42 PolarHBondContact O-N 2.92Å | ||
| 41 | P | 42.7 | Very low | 41.3 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 113.5 | 171.1 | 27.5 | -28.8 | 0 | 0 | 0 | 108.4 | C39 | C39-P41 WeakPolarHBondContact O-CD 3.4Š| ||
| 42 | F | 38.7 | Very low | 40.8 | Very low | 200 Ų | 200 | 129 Ų | 129 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -55.4 | 128.8 | 168.1 | -85.9 | -88.3 | 0 | 0 | 0 | 109.7 | D40 S44 | D40-F42 PolarHBondContact O-N 2.92Å; F42-S44 PolarHBondContact O-N 3.4Å; F42-S44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | P | 40.7 | Very low | 40 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -69.9 | 113.1 | 172.8 | 26.1 | -29.8 | 0 | 0 | 0 | 109.2 | T45 | P43-T45 PolarHBondContact O-N 2.86Š| ||
| 44 | S | 41.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 118.9 | 167.5 | 47.9 | 0 | 0 | 0 | 0 | 109 | F42 G46 | F42-S44 PolarHBondContact O-N 3.4Å; F42-S44 VanDerWaalsContact O-N 3.15Å; S44-G46 PolarHBondContact O-N 2.84Å |
| 45 | T | 42.8 | Very low | 38.3 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 117.2 | 168.9 | 33.3 | 0 | 0 | 0 | 0 | 108.2 | P43 | P43-T45 PolarHBondContact O-N 2.86Š|
| 46 | G | 33.9 | Very low | 37.7 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 138.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S44 | S44-G46 PolarHBondContact O-N 2.84Š|
| 47 | T | 36.5 | Very low | 37.2 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -123.4 | 119.3 | 144.9 | -61 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 48 | A | 34.1 | Very low | 36.5 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -67.4 | 146.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 49 | G | 32.4 | Very low | 36 | Very low | 65 Ų | 65 | 124.4 Ų | 124.4 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 173.8 | 79.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 50 | T | 36.4 | Very low | 35.4 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | 58.2 | 103 | 153.2 | 58.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 51 | G | 31 | Very low | 34.7 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 149.8 | 165 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 52 | I | 34.2 | Very low | 34.4 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -133.4 | 108.2 | 144 | -65.8 | -178 | 0 | 0 | 0 | 105.1 | ||||
| 53 | H | 32 | Very low | 34.2 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -88.9 | 130.2 | 167.2 | -95.7 | -87.2 | 0 | 0 | 0 | 108.5 | ||||
| 54 | T | 30.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -141.5 | 91 | 149.5 | 50.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 55 | D | 30 | Very low | 33.5 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 117.9 | 162.8 | -78.2 | -37.1 | 0 | 0 | 0 | 108.1 | ||
| 56 | T | 29.4 | Very low | 33.2 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 121.6 | 170.2 | -64.2 | 0 | 0 | 0 | 0 | 108.4 | ||
| 57 | S | 33.7 | Very low | 33.3 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 132.5 | 173.8 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 58 | T | 32.9 | Very low | 33.1 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | 46.5 | 124.8 | 128.2 | -14.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 59 | S | 33.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 65.4 | 134.8 | 138.4 | 60.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 60 | G | 31.9 | Very low | 33.9 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 124.6 | 104.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 61 | F | 29.9 | Very low | 33.8 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | trans | -57.7 | 137.8 | 159.3 | -75.1 | -99.2 | 0 | 0 | 0 | 111 | ||||
| 62 | L | 36.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | 172.5 | 159.8 | 116.2 | -84.8 | 179.9 | 0 | 0 | 0 | 110.6 | |||||
| 63 | V | 33.5 | Very low | 34.6 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | -96.9 | 149.4 | -152.9 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 64 | D | 32.5 | Very low | 34.9 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 39.6 | 123.4 | 156.7 | -57.8 | -19.5 | 0 | 0 | 0 | 120.8 | ||||
| 65 | N | 34.6 | Very low | 35.2 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | -168 | 131.5 | 115.1 | -89.3 | -25.6 | 0 | 0 | 0 | 110.6 | |||||
| 66 | E | 36.7 | Very low | 36.4 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -74.1 | 146.3 | 169.2 | -68.5 | 174.1 | 119.8 | 0 | 0 | 111 | ||||
| 67 | E | 36.8 | Very low | 36.6 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | 157.6 | 128.9 | 121.6 | -84.4 | -170.5 | 161.3 | 0 | 0 | 112.6 | |||||
| 68 | D | 33.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | 77.2 | 109.8 | 142.5 | -87.6 | 2.2 | 0 | 0 | 0 | 124.8 | ||||
| 69 | L | 40.8 | Very low | 37.6 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | 81.6 | 126.5 | 119.3 | -66.2 | 168.5 | 0 | 0 | 0 | 122 | |||||
| 70 | S | 42 | Very low | 37.7 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 113.9 | 98.3 | 135 | 70.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 71 | D | 33 | Very low | 38.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -35.1 | 146.5 | 152 | -175.4 | 11.6 | 0 | 0 | 0 | 115.6 | S73 | D71-S73 PolarHBondContact OD1-OG 3.2Å; D71-S73 VanDerWaalsContact OD1-OG 3.08Å | ||
| 72 | H | 43.9 | Very low | 38.7 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -160 | 134.9 | 133.3 | -101.3 | 28 | 0 | 0 | 0 | 112.4 | ||||
| 73 | S | 38.6 | Very low | 39.1 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | trans | -104.3 | 170.9 | -160.9 | -63.6 | 0 | 0 | 0 | 0 | 114.9 | D71 | D71-S73 PolarHBondContact OD1-OG 3.2Å; D71-S73 VanDerWaalsContact OD1-OG 3.08Å | ||
| 74 | I | 38.1 | Very low | 40 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | 73.4 | 134.8 | 153.3 | -38.2 | -166.7 | 0 | 0 | 0 | 116.6 | ||||
| 75 | G | 38.1 | Very low | 41.5 | Very low | 63 Ų | 63 | 139.5 Ų | 139.5 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | cis | 153.7 | 167.6 | 15.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 76 | P | 54.4 | Low | 42.9 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -100.4 | 168.7 | -154.2 | 38.3 | -34.7 | 0 | 0 | 0 | 115.8 | ||||
| 77 | S | 32.8 | Very low | 44.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -141.5 | 150.1 | 166.5 | 54.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 78 | L | 36.4 | Very low | 46 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -87.8 | 175.1 | -162.9 | -112.2 | 88.7 | 0 | 0 | 0 | 115.2 | ||||
| 79 | P | 52.4 | Low | 47.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -101.2 | 166.3 | -165.4 | 40.3 | -34.7 | 0 | 0 | 0 | 115.4 | ||||
| 80 | T | 35.3 | Very low | 49.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | -138.8 | 114 | 178 | -33.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 81 | Y | 41.8 | Very low | 50.9 | Low | 229 Ų | 229 | 132.8 Ų | 132.8 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 65.1 | 130 | 144.6 | -79 | -101.9 | 0 | 0 | 0 | 125.4 | ||||
| 82 | S | 41 | Very low | 53 | Low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -100.6 | 151.3 | 170.6 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 83 | T | 44 | Very low | 54.7 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -129.4 | 140.8 | 159.5 | 48 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 84 | N | 53.9 | Low | 56.4 | Low | 163 Ų | 163 | 134.4 Ų | 134.4 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | 98.2 | 111.2 | 178.1 | -57.1 | -24 | 0 | 0 | 0 | 116.9 | ||||
| 85 | G | 63 | Low | 58.5 | Low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 86 | P | 63.6 | Low | 60.6 | Low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 134.5 | -169.4 | 25.6 | -32.1 | 0 | 0 | 0 | 112.8 | ||
| 87 | Q | 70 | Confident | 61.7 | Low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.2 | 172.5 | -177.6 | 174.5 | -18.2 | 0 | 0 | 111.1 | ||
| 88 | G | 69.1 | Low | 64.1 | Low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 89 | K | 71.6 | Confident | 66.4 | Low | 202 Ų | 202 | 133.3 Ų | 133.3 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135.9 | -173.3 | -65.4 | -175.9 | -179.1 | -178.6 | 0 | 111.1 | ||
| 90 | P | 77.1 | Confident | 67.6 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 143 | 172.4 | -26.1 | 34.3 | 0 | 0 | 0 | 112.1 | ||
| 91 | G | 70 | Confident | 70 | Confident | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 92 | R | 78 | Confident | 72 | Confident | 243 Ų | 243 | 125.9 Ų | 125.9 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.1 | -177.7 | -67.8 | -175.9 | -177.2 | -172.2 | 0.9 | 110.3 | ||
| 93 | P | 80.3 | Confident | 73.8 | Confident | 123 Ų | 123 | 123.9 Ų | 123.9 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 144.9 | 172.2 | -26 | 34.5 | 0 | 0 | 0 | 111.8 | ||
| 94 | G | 74.2 | Confident | 75.7 | Confident | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 151.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 95 | K | 82.1 | Confident | 77.2 | Confident | 203 Ų | 203 | 125 Ų | 125 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.9 | 177.8 | -65.9 | -177 | -179.2 | -179.4 | 0 | 109.7 | ||
| 96 | P | 82.4 | Confident | 77.9 | Confident | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 145.1 | 171.8 | -25.3 | 34.4 | 0 | 0 | 0 | 111.4 | ||
| 97 | G | 76.4 | Confident | 79 | Confident | 63 Ų | 63 | 123.9 Ų | 123.9 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 158.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 98 | P | 84.3 | Confident | 79.7 | Confident | 122 Ų | 122 | 121.2 Ų | 121.2 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 146.6 | 176.6 | 26.6 | -33 | 0 | 0 | 0 | 110.8 | ||
| 99 | P | 83.7 | Confident | 80.2 | Confident | 127 Ų | 127 | 121.2 Ų | 121.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.2 | 172 | -24.4 | 34 | 0 | 0 | 0 | 111.6 | ||
| 100 | G | 78.7 | Confident | 80.8 | Confident | 62 Ų | 62 | 117.9 Ų | 117.9 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 159.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 101 | P | 85.1 | Confident | 81.1 | Confident | 123 Ų | 123 | 123.6 Ų | 123.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.5 | 176.7 | 26.5 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 102 | P | 84.6 | Confident | 81 | Confident | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 140.3 | 173 | -24.4 | 34 | 0 | 0 | 0 | 111.5 | ||
| 103 | G | 78.5 | Confident | 80.7 | Confident | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 152.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 104 | E | 84 | Confident | 80.6 | Confident | 187 Ų | 187 | 117.1 Ų | 117.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 143.5 | 178 | -65.3 | -173.5 | 162.3 | 0 | 0 | 111.2 | G106 | E104-G106 PolarHBondContact O-N 2.8Š|
| 105 | P | 85.3 | Confident | 79.9 | Confident | 126 Ų | 126 | 116.7 Ų | 116.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.2 | 173.7 | -24.5 | 34.1 | 0 | 0 | 0 | 111.6 | ||
| 106 | G | 78.1 | Confident | 79.2 | Confident | 61 Ų | 61 | 114.4 Ų | 114.4 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 154.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E104 | E104-G106 PolarHBondContact O-N 2.8Š|
| 107 | P | 84.8 | Confident | 77.9 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 150 | 177.6 | 26.3 | -33.8 | 0 | 0 | 0 | 111 | G109 | P107-G109 PolarHBondContact O-N 3.29Š|
| 108 | P | 86.4 | Confident | 76.4 | Confident | 128 Ų | 128 | 121.1 Ų | 121.1 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53 | 140 | 173 | -25.2 | 34 | 0 | 0 | 0 | 111.7 | ||
| 109 | G | 78.4 | Confident | 74.6 | Confident | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 154.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | P107 | P107-G109 PolarHBondContact O-N 3.29Š|
| 110 | P | 84 | Confident | 72.9 | Confident | 132 Ų | 132 | 124.1 Ų | 124.1 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 145.3 | 177.8 | 25.4 | -33.2 | 0 | 0 | 0 | 110.8 | G112 | P110-G112 PolarHBondContact O-N 2.92Š|
| 111 | R | 83 | Confident | 70.9 | Confident | 246 Ų | 246 | 126.8 Ų | 126.8 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 132.8 | 173.7 | -174 | 177.2 | 179.2 | 174.9 | -0.1 | 109 | ||
| 112 | G | 68.4 | Low | 69.3 | Low | 52 Ų | 52 | 132 Ų | 132 | 54% | 0.536 | 78% | 0.78 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 157.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P110 | P110-G112 PolarHBondContact O-N 2.92Š|
| 113 | P | 72.6 | Confident | 67 | Low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 144.3 | -178.9 | 22.5 | -31.8 | 0 | 0 | 0 | 111.1 | G115 | P113-G115 PolarHBondContact O-N 2.64Š|
| 114 | P | 78.5 | Confident | 65.2 | Low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.5 | 175.1 | -24.7 | 34.1 | 0 | 0 | 0 | 111.2 | ||
| 115 | G | 59.7 | Low | 63.5 | Low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 136.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P113 S117 | P113-G115 PolarHBondContact O-N 2.64Å; G115-S117 PolarHBondContact O-N 3.26Å; G115-S117 VanDerWaalsContact O-N 3.12Å; G115-S117 PolarHBondContact O-OG 3.32Å |
| 116 | D | 67.3 | Low | 61.4 | Low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -64.8 | 112.5 | -175 | -147.1 | -2.6 | 0 | 0 | 0 | 110.1 | ||||
| 117 | S | 55.2 | Low | 59.8 | Low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -120.4 | 87.1 | -174.9 | -51.7 | 0 | 0 | 0 | 0 | 109.4 | G115 | G115-S117 PolarHBondContact O-N 3.26Å; G115-S117 VanDerWaalsContact O-N 3.12Å; G115-S117 PolarHBondContact O-OG 3.32Å | ||
| 118 | R | 44.8 | Very low | 57.7 | Low | 217 Ų | 217 | 133.1 Ų | 133.1 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | -139 | 125.9 | 165.3 | -63.4 | -173.2 | 178.4 | 172.2 | 0.5 | 105.7 | ||||
| 119 | D | 44.7 | Very low | 55.7 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | cis | -146.4 | 136.1 | 18.1 | -78.4 | -49.6 | 0 | 0 | 0 | 109.6 | V121 | D119-V121 HydrophobicContact CB-CG2 4.4Š| ||
| 120 | I | 48.6 | Very low | 53.8 | Low | 172 Ų | 172 | 135.1 Ų | 135.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -92.5 | 90 | 160.9 | -60.6 | 176.7 | 0 | 0 | 0 | 106.4 | ||||
| 121 | V | 37.2 | Very low | 52 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -103.3 | 101.5 | 161.3 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | D119 | D119-V121 HydrophobicContact CB-CG2 4.4Š| ||
| 122 | R | 51.1 | Low | 50.3 | Low | 234 Ų | 234 | 127.2 Ų | 127.2 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -80.7 | 106.5 | 170.1 | 177.5 | -175.7 | 174.3 | -162.9 | -1.3 | 108.6 | ||||
| 123 | T | 36.9 | Very low | 49.3 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -152.3 | 125.5 | 156.2 | 17.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 124 | G | 40.6 | Very low | 48.2 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -90 | -179.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 125 | I | 47.3 | Very low | 47 | Very low | 164 Ų | 164 | 135 Ų | 135 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 80.9 | 119 | 159.1 | -59.8 | 176.2 | 0 | 0 | 0 | 115.7 | ||||
| 126 | L | 42 | Very low | 47.3 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 85.9 | 121.2 | 174.5 | -56.3 | 174.6 | 0 | 0 | 0 | 116.8 | A128 | L126-A128 PolarHBondContact O-N 2.89Š|
| 127 | G | 44.9 | Very low | 48.1 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -60 | 115.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 128 | A | 39.6 | Very low | 49.8 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -114.2 | 128.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | L126 S130 | L126-A128 PolarHBondContact O-N 2.89Å; A128-S130 PolarHBondContact O-N 2.92Å | ||
| 129 | V | 44.3 | Very low | 52.2 | Low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -46.4 | 125.4 | 175.7 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | T131 | V129-T131 PolarHBondContact O-N 3.15Š| ||
| 130 | S | 40.3 | Very low | 54.7 | Low | 103 Ų | 103 | 124.4 Ų | 124.4 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | trans | -58.6 | 100.6 | 168.1 | -66.7 | 0 | 0 | 0 | 0 | 109.2 | A128 T132 | A128-S130 PolarHBondContact O-N 2.92Å; S130-T132 PolarHBondContact O-N 2.86Å | ||
| 131 | T | 46 | Very low | 57.1 | Low | 126 Ų | 126 | 117.5 Ų | 117.5 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -75.3 | 78.2 | 161.4 | 50.5 | 0 | 0 | 0 | 0 | 107.7 | V129 T133 | V129-T131 PolarHBondContact O-N 3.15Å; T131-T133 PolarHBondContact O-N 3.36Å; T131-T133 VanDerWaalsContact O-N 3.11Å | ||
| 132 | T | 45.7 | Very low | 60 | Low | 85 Ų | 85 | 112.3 Ų | 112.3 | 52% | 0.521 | 65% | 0.651 | S | S | . | * | trans | -60.5 | 106.1 | 159.8 | 24.9 | 0 | 0 | 0 | 0 | 107.7 | S130 Y134 | S130-T132 PolarHBondContact O-N 2.86Å; T132-Y134 HydrophobicContact CG2-CE2 4.37Å; T132-Y134 WeakPolarHBondContact O-CD2 3.49Å; T132-Y134 PolarHBondContact O-N 2.98Å; T132-Y134 WeakPolarHBondContact OG1-CE2 3.49Å | ||
| 133 | T | 48.6 | Very low | 62.3 | Low | 138 Ų | 138 | 104.5 Ų | 104.5 | 85% | 0.847 | 62% | 0.622 | S | S | * | * | trans | -69.7 | 79.4 | 167 | -45.3 | 0 | 0 | 0 | 0 | 107.9 | T131 N135 | T131-T133 PolarHBondContact O-N 3.36Å; T131-T133 VanDerWaalsContact O-N 3.11Å; T133-N135 PolarHBondContact O-N 2.94Å | ||
| 134 | Y | 48.4 | Very low | 65.2 | Low | 163 Ų | 163 | 98.4 Ų | 98.4 | 64% | 0.639 | 58% | 0.584 | S | S | * | * | trans | -61.7 | 128.4 | 163.8 | -65.4 | -76.6 | 0 | 0 | 0 | 106.6 | T132 T136 | T132-Y134 HydrophobicContact CG2-CE2 4.37Å; T132-Y134 WeakPolarHBondContact O-CD2 3.49Å; T132-Y134 PolarHBondContact O-N 2.98Å; T132-Y134 WeakPolarHBondContact OG1-CE2 3.49Å; Y134-T136 PolarHBondContact O-N 2.79Å | ||
| 135 | N | 54.3 | Low | 68 | Low | 164 Ų | 164 | 95 Ų | 95 | 88% | 0.877 | 55% | 0.549 | S | S | * | . | trans | -66.4 | 82.9 | 166 | -126.5 | -4.3 | 0 | 0 | 0 | 106.7 | T133 T137 | T133-N135 PolarHBondContact O-N 2.94Å; N135-T137 VanDerWaalsContact C-N 3.28Å; N135-T137 PolarHBondContact O-N 2.81Å | ||
| 136 | T | 65.9 | Low | 70.4 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -84.5 | 72.6 | -173.4 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | Y134 P138 | Y134-T136 PolarHBondContact O-N 2.79Å; T136-P138 VanDerWaalsContact O-CD 3.22Å; T136-P138 WeakPolarHBondContact O-CD 3.41Å | ||
| 137 | T | 84.9 | Confident | 73.1 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 64% | 0.638 | 49% | 0.49 | S | S | * | . | trans | -57.4 | 122.1 | 163.5 | -49.4 | 0 | 0 | 0 | 0 | 107.4 | N135 R139 | N135-T137 VanDerWaalsContact C-N 3.28Å; N135-T137 PolarHBondContact O-N 2.81Å; T137-R139 PolarHBondContact O-N 3.22Å | ||
| 138 | P | 88.9 | Confident | 75.4 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 30% | 0.299 | 47% | 0.472 | S | S | . | . | trans | -54.7 | 130.2 | 177.5 | -32.2 | 42.1 | 0 | 0 | 0 | 111.1 | T136 I180 I264 A267 | T136-P138 VanDerWaalsContact O-CD 3.22Å; T136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-I180 HydrophobicContact CB-CD1 3.83Å; P138-I180 HydrophobicContact CB-CG2 4.12Å; P138-I180 HydrophobicContact CG-CD1 4.43Å; P138-I180 HydrophobicContact CG-CG2 4.2Å; P138-I264 HydrophobicContact CB-CD1 4.25Å; P138-A267 HydrophobicContact CB-CB 4.01Å; P138-A267 HydrophobicContact CG-CB 3.6Å | ||
| 139 | R | 95.1 | Very high | 78 | Confident | 197 Ų | 197 | 84.4 Ų | 84.4 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | trans | -124.2 | 110.5 | 176.1 | -64.5 | -176.7 | -175.4 | -164.1 | -0.3 | 108.2 | T137 I165 | T137-R139 PolarHBondContact O-N 3.22Å; R139-I165 HydrophobicContact CB-CG2 4.02Å | ||
| 140 | V | 98.2 | Very high | 80.4 | Confident | 6 Ų | 6 | 79.4 Ų | 79.4 | 4% | 0.036 | 42% | 0.423 | C | S | . | . | trans | -134 | 122.7 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | I165 N168 F176 I180 Y184 F263 I264 | V140-I165 WeakPolarHBondContact CA-O 3.5Å; V140-N168 HydrophobicContact CG1-CB 3.99Å; V140-F176 HydrophobicContact CG1-CE2 3.78Å; V140-F176 HydrophobicContact CG1-CZ 3.92Å; V140-I180 HydrophobicContact CG2-CD1 4.18Å; V140-Y184 HydrophobicContact CB-CE1 4.14Å; V140-Y184 HydrophobicContact CG1-CE1 3.97Å; V140-F263 VanDerWaalsContact O-CA 3.23Å; V140-F263 WeakPolarHBondContact O-CA 3.26Å; V140-F263 WeakPolarHBondContact O-CB 3.38Å; V140-I264 HydrophobicContact CB-CB 4.13Å; V140-I264 HydrophobicContact CB-CG2 3.94Å; V140-I264 HydrophobicContact CG2-CG2 4.4Å; V140-I264 PolarHBondContact O-N 3.33Å | ||
| 141 | A | 98.6 | Very high | 82.5 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 23% | 0.231 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 138.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | N164 I165 G262 F263 | A141-N164 CarbonylContact O-C 3.55Å; A141-I165 HydrophobicContact CB-CB 4.49Å; A141-I165 PolarHBondContact N-O 3.16Å; A141-I165 VanDerWaalsContact N-O 3.15Å; A141-I165 PolarHBondContact O-N 3.04Å; A141-G262 CarbonylContact C-O 3.55Å; A141-G262 WeakPolarHBondContact CA-O 3.49Å; A141-F263 HydrophobicContact CB-CB 3.82Å |
| 142 | F | 98.9 | Very high | 83.6 | Confident | 7 Ų | 7 | 74.1 Ų | 74.1 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 155.4 | 174 | 78.2 | -78.1 | 0 | 0 | 0 | 112 | T163 Y169 F176 F186 F260 S261 G262 | F142-T163 CarbonylContact C-O 3.54Å; F142-T163 WeakPolarHBondContact CA-O 3.35Å; F142-T163 WeakPolarHBondContact CB-O 3.24Å; F142-Y169 HydrophobicContact CB-CG 4.39Å; F142-Y169 AromaticContact CD2-CD1 4Å; F142-Y169 HydrophobicContact CD2-CD1 4Å; F142-Y169 AromaticContact CD2-CD2 3.58Å; F142-Y169 HydrophobicContact CD2-CD2 3.58Å; F142-Y169 HydrophobicContact CD2-CE2 4.24Å; F142-Y169 AromaticContact CD2-CG 3.45Å; F142-Y169 HydrophobicContact CD2-CG 3.45Å; F142-Y169 VanDerWaalsContact CD2-CG 3.45Å; F142-Y169 AromaticContact CE2-CD2 3.51Å; F142-Y169 HydrophobicContact CE2-CD2 3.51Å; F142-Y169 AromaticContact CE2-CE2 3.87Å; F142-Y169 HydrophobicContact CE2-CE2 3.87Å; F142-Y169 AromaticContact CE2-CG 3.9Å; F142-Y169 HydrophobicContact CE2-CG 3.9Å; F142-Y169 HydrophobicContact CG-CD2 4.29Å; F142-Y169 AromaticContact CG-CG 3.99Å; F142-Y169 HydrophobicContact CG-CG 3.99Å; F142-Y169 HydrophobicContact CZ-CD2 4.16Å; F142-F176 AromaticContact CD1-CD2 3.58Å; F142-F176 HydrophobicContact CD1-CD2 3.58Å; F142-F176 AromaticContact CD1-CE2 3.96Å; F142-F176 HydrophobicContact CD1-CE2 3.96Å; F142-F176 HydrophobicContact CE1-CB 4.35Å; F142-F176 AromaticContact CE1-CD2 3.5Å; F142-F176 HydrophobicContact CE1-CD2 3.5Å; F142-F176 HydrophobicContact CE1-CE2 4.09Å; F142-F176 HydrophobicContact CE1-CG 4.16Å; F142-F176 HydrophobicContact CG-CD2 4.48Å; F142-F176 HydrophobicContact CZ-CB 4.44Å; F142-F176 HydrophobicContact CZ-CD2 4.35Å; F142-F186 HydrophobicContact CE1-CD1 4.01Å; F142-F186 AromaticContact CE1-CE1 3.83Å; F142-F186 HydrophobicContact CE1-CE1 3.83Å; F142-F186 HydrophobicContact CZ-CD1 4.15Å; F142-F186 HydrophobicContact CZ-CE1 4.27Å; F142-F260 HydrophobicContact CE2-CB 4.48Å; F142-F260 AromaticContact CE2-CD1 3.57Å; F142-F260 HydrophobicContact CE2-CD1 3.57Å; F142-F260 HydrophobicContact CE2-CD2 4.43Å; F142-F260 AromaticContact CE2-CE1 3.82Å; F142-F260 HydrophobicContact CE2-CE1 3.82Å; F142-F260 AromaticContact CE2-CG 3.89Å; F142-F260 HydrophobicContact CE2-CG 3.89Å; F142-F260 HydrophobicContact CE2-CZ 4.35Å; F142-F260 AromaticContact CZ-CD1 3.8Å; F142-F260 HydrophobicContact CZ-CD1 3.8Å; F142-F260 HydrophobicContact CZ-CD2 4.24Å; F142-F260 AromaticContact CZ-CE1 3.58Å; F142-F260 HydrophobicContact CZ-CE1 3.58Å; F142-F260 HydrophobicContact CZ-CE2 4.04Å; F142-F260 HydrophobicContact CZ-CG 4.12Å; F142-F260 AromaticContact CZ-CZ 3.71Å; F142-F260 HydrophobicContact CZ-CZ 3.71Å; F142-S261 VanDerWaalsContact O-CA 3.26Å; F142-S261 WeakPolarHBondContact O-CA 3.39Å; F142-S261 VanDerWaalsContact O-CB 3.23Å; F142-S261 WeakPolarHBondContact O-CB 3.22Å; F142-G262 WeakPolarHBondContact CD1-O 3.12Å; F142-G262 PolarHBondContact N-O 2.96Å; F142-G262 PolarHBondContact O-N 3.01Å; F142-G262 VanDerWaalsContact O-N 3.15Å |
| 143 | Y | 98.9 | Very high | 84.9 | Confident | 71 Ų | 71 | 78 Ų | 78 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 127.8 | 170.9 | 169.7 | -119 | 0 | 0 | 0 | 108.4 | V162 T163 K256 T259 | Y143-V162 HydrophobicContact CD1-CB 3.62Å; Y143-V162 HydrophobicContact CD1-CG1 3.95Å; Y143-V162 HydrophobicContact CD1-CG2 3.96Å; Y143-V162 HydrophobicContact CE1-CB 4.1Å; Y143-V162 HydrophobicContact CE1-CG1 4.37Å; Y143-V162 HydrophobicContact CE1-CG2 3.94Å; Y143-V162 PolarHBondContact O-N 2.71Å; Y143-T163 PolarHBondContact N-O 3.43Å; Y143-T163 PolarHBondContact O-N 2.84Å; Y143-T163 VanDerWaalsContact O-N 3.11Å; Y143-K256 HydrophobicContact CE1-CD 4.44Å; Y143-T259 HydrophobicContact CE2-CG2 3.68Å; Y143-T259 WeakPolarHBondContact OH-CG2 3.46Å |
| 144 | A | 98.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F158 D160 V161 Y169 T259 F260 | A144-F158 HydrophobicContact CB-CB 3.62Å; A144-F158 WeakPolarHBondContact CB-O 3.39Å; A144-D160 WeakPolarHBondContact CA-O 3.46Å; A144-V161 HydrophobicContact CB-CG2 4.24Å; A144-Y169 HydrophobicContact CB-CD1 4.14Å; A144-Y169 HydrophobicContact CB-CE1 3.55Å; A144-T259 WeakPolarHBondContact O-CA 3.4Å; A144-F260 PolarHBondContact N-O 3.4Å; A144-F260 PolarHBondContact O-N 3.05Å |
| 145 | G | 98.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 176.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F158 D159 D160 N255 S258 | G145-F158 CarbonylContact O-C 3.55Å; G145-F158 WeakPolarHBondContact O-CA 3.29Å; G145-F158 VanDerWaalsContact O-CB 3.31Å; G145-F158 WeakPolarHBondContact O-CB 3.39Å; G145-D159 PolarHBondContact O-N 3.16Å; G145-D160 PolarHBondContact N-O 2.74Å; G145-D160 WeakPolarHBondContact O-CB 3.37Å; G145-D160 PolarHBondContact O-N 3.46Å; G145-N255 CarbonylContact C-O 3.5Å; G145-N255 WeakPolarHBondContact CA-O 3.38Å; G145-S258 WeakPolarHBondContact CA-O 3.37Å |
| 146 | L | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -110.1 | 124.2 | 179.5 | -179.2 | 66.7 | 0 | 0 | 0 | 109.7 | N148 Q150 L156 R157 F158 A249 G251 N255 S258 | L146-N148 WeakPolarHBondContact CD1-O 3.38Å; L146-N148 WeakPolarHBondContact CG-O 3.26Å; L146-Q150 HydrophobicContact CD1-CG 4.18Å; L146-Q150 VanDerWaalsContact CD1-NE2 3.33Å; L146-L156 HydrophobicContact CD1-CD1 3.9Å; L146-L156 HydrophobicContact CD2-CD1 4.04Å; L146-R157 VanDerWaalsContact CD1-O 3.29Å; L146-R157 WeakPolarHBondContact CD1-O 3.33Å; L146-F158 HydrophobicContact CB-CD1 4.18Å; L146-A249 HydrophobicContact CD2-CB 3.81Å; L146-G251 WeakPolarHBondContact O-CA 3.07Å; L146-N255 PolarHBondContact N-O 3.32Å; L146-N255 WeakPolarHBondContact O-CA 3.37Å; L146-N255 WeakPolarHBondContact O-CB 3.35Å; L146-S258 PolarHBondContact N-O 3.38Å | ||
| 147 | R | 97.3 | Very high | 92.4 | Very high | 125 Ų | 125 | 64.3 Ų | 64.3 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -80.6 | -55.7 | 179.3 | -62.2 | -177.8 | 170 | -174.5 | -1.3 | 112.5 | D159 D160 | R147-D159 VanDerWaalsContact CB-OD1 3.32Å; R147-D159 WeakPolarHBondContact CB-OD1 3.34Å; R147-D159 VanDerWaalsContact CG-OD1 3.29Å; R147-D159 WeakPolarHBondContact CG-OD1 3.23Å; R147-D159 PolarHBondContact N-OD1 3.03Å; R147-D160 HydrophobicContact CG-CB 3.72Å; R147-D160 IonicContact CZ-OD1 2.64Å; R147-D160 IonicContact NE-OD1 3.58Å; R147-D160 PolarHBondContact NE-OD1 3.35Å; R147-D160 VanDerWaalsContact NE-OD1 3.11Å; R147-D160 IonicContact NH2-OD1 2.74Å; R147-D160 PolarHBondContact NH2-OD1 2.87Å |
| 148 | N | 94.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -110.4 | 143.2 | -173.7 | -63.4 | -63.4 | 0 | 0 | 0 | 109.9 | L146 Q150 | L146-N148 WeakPolarHBondContact CD1-O 3.38Å; L146-N148 WeakPolarHBondContact CG-O 3.26Å; N148-Q150 PolarHBondContact O-N 3.41Å |
| 149 | P | 94.1 | Very high | 93.5 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | trans | -56.5 | 136 | 172.8 | -26.6 | 36.2 | 0 | 0 | 0 | 112.2 | K248 A249 | P149-K248 HydrophobicContact CB-CD 4.23Å; P149-K248 HydrophobicContact CB-CG 4.31Å; P149-A249 WeakPolarHBondContact CA-O 3.23Å; P149-A249 WeakPolarHBondContact CB-O 3.32Å | ||
| 150 | Q | 92.9 | Very high | 93.7 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.8 | -178.8 | -69.7 | -177 | 35.5 | 0 | 0 | 110.6 | L146 N148 L156 R157 K248 A249 | L146-Q150 HydrophobicContact CD1-CG 4.18Å; L146-Q150 VanDerWaalsContact CD1-NE2 3.33Å; N148-Q150 PolarHBondContact O-N 3.41Å; Q150-L156 HydrophobicContact CB-CD1 3.73Å; Q150-L156 HydrophobicContact CG-CD1 4.31Å; Q150-R157 PolarHBondContact NE2-O 2.82Å; Q150-K248 WeakPolarHBondContact O-CG 3.48Å; Q150-A249 PolarHBondContact N-O 3.04Å; Q150-A249 PolarHBondContact O-N 2.6Å |
| 151 | E | 85.5 | Confident | 93.7 | Very high | 117 Ų | 117 | 53.5 Ų | 53.5 | 55% | 0.547 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 145.7 | -179.5 | -59.5 | -59.5 | 156.4 | 0 | 0 | 111.7 | Y153 K248 | E151-Y153 PolarHBondContact O-N 2.84Å; E151-Y153 VanDerWaalsContact O-N 3.14Å; E151-K248 WeakPolarHBondContact OE1-CD 3.31Å; E151-K248 WeakPolarHBondContact OE1-CE 3.21Å; E151-K248 IonicContact OE1-NZ 3.11Å; E151-K248 PolarHBondContact OE1-NZ 3.07Å |
| 152 | G | 67.8 | Low | 93.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 42.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L244 D245 G246 G247 | G152-L244 CarbonylContact C-O 3.52Å; G152-L244 CarbonylContact O-C 3.49Å; G152-D245 CarbonylContact O-C 3.18Å; G152-D245 WeakPolarHBondContact O-CA 3.34Å; G152-D245 PolarHBondContact O-N 2.81Å; G152-G246 PolarHBondContact O-N 3.13Å; G152-G247 WeakPolarHBondContact CA-O 3.08Å; G152-G247 PolarHBondContact N-O 3.24Å |
| 153 | Y | 74.8 | Confident | 93.7 | Very high | 167 Ų | 167 | 58.2 Ų | 58.2 | 66% | 0.655 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 0.1 | 177.9 | -61.4 | -69.3 | 0 | 0 | 0 | 114.4 | E151 | E151-Y153 PolarHBondContact O-N 2.84Å; E151-Y153 VanDerWaalsContact O-N 3.14Å |
| 154 | D | 84.6 | Confident | 93.7 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -135.2 | -178.4 | -176.3 | -152.4 | -11.9 | 0 | 0 | 0 | 110.5 | L156 L244 | D154-L156 PolarHBondContact O-N 2.81Å; D154-L244 PolarHBondContact O-N 3.48Å |
| 155 | I | 95.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 126.9 | 173.8 | -56.6 | -179.6 | 0 | 0 | 0 | 109.6 | R157 T173 F241 | I155-R157 PolarHBondContact O-N 3.31Å; I155-T173 WeakPolarHBondContact CG2-O 3.2Å; I155-F241 HydrophobicContact CB-CD2 4.35Å; I155-F241 HydrophobicContact CD1-CD1 4.45Å; I155-F241 HydrophobicContact CD1-CD2 3.95Å; I155-F241 HydrophobicContact CD1-CE1 4.4Å; I155-F241 HydrophobicContact CD1-CE2 3.89Å; I155-F241 HydrophobicContact CD1-CG 4.23Å; I155-F241 HydrophobicContact CD1-CZ 4.12Å; I155-F241 HydrophobicContact CG1-CD2 3.73Å; I155-F241 HydrophobicContact CG1-CE2 3.75Å; I155-F241 HydrophobicContact CG1-CG 4.42Å; I155-F241 HydrophobicContact CG1-CZ 4.45Å; I155-F241 HydrophobicContact CG2-CB 3.94Å; I155-F241 HydrophobicContact CG2-CD2 3.92Å; I155-F241 HydrophobicContact CG2-CG 4.12Å |
| 156 | L | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -78.8 | 114.8 | 176.2 | -175.9 | 57.4 | 0 | 0 | 0 | 110.2 | L146 Q150 D154 F158 V190 I242 L244 A249 | L146-L156 HydrophobicContact CD1-CD1 3.9Å; L146-L156 HydrophobicContact CD2-CD1 4.04Å; Q150-L156 HydrophobicContact CB-CD1 3.73Å; Q150-L156 HydrophobicContact CG-CD1 4.31Å; D154-L156 PolarHBondContact O-N 2.81Å; L156-F158 HydrophobicContact CB-CE2 4.11Å; L156-F158 HydrophobicContact CD2-CE1 3.81Å; L156-F158 HydrophobicContact CD2-CE2 3.74Å; L156-F158 HydrophobicContact CD2-CZ 3.29Å; L156-F158 HydrophobicContact CG-CD2 4.28Å; L156-F158 HydrophobicContact CG-CE1 4.35Å; L156-F158 HydrophobicContact CG-CE2 3.79Å; L156-F158 HydrophobicContact CG-CZ 3.85Å; L156-F158 WeakPolarHBondContact O-CD2 3.41Å; L156-F158 PolarHBondContact O-N 3.23Å; L156-V190 HydrophobicContact CD2-CG1 3.9Å; L156-V190 HydrophobicContact CD2-CG2 4.06Å; L156-I242 HydrophobicContact CB-CB 4.42Å; L156-I242 PolarHBondContact N-O 3.16Å; L156-L244 HydrophobicContact CB-CD1 4.32Å; L156-L244 HydrophobicContact CB-CG 4.13Å; L156-L244 HydrophobicContact CD1-CD1 3.98Å; L156-L244 HydrophobicContact CD2-CD1 4.08Å; L156-L244 HydrophobicContact CD2-CD2 4.07Å; L156-L244 HydrophobicContact CD2-CG 4.22Å; L156-L244 HydrophobicContact CG-CD1 4.35Å; L156-A249 HydrophobicContact CD1-CB 3.86Å; L156-A249 HydrophobicContact CD2-CB 3.86Å | ||
| 157 | R | 97.4 | Very high | 93.5 | Very high | 125 Ų | 125 | 65.7 Ų | 65.7 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | trans | -92.6 | 97.3 | -177.3 | -62.2 | 173 | -74.3 | 179.1 | -4.4 | 110.5 | L146 Q150 I155 D159 S172 | L146-R157 VanDerWaalsContact CD1-O 3.29Å; L146-R157 WeakPolarHBondContact CD1-O 3.33Å; Q150-R157 PolarHBondContact NE2-O 2.82Å; I155-R157 PolarHBondContact O-N 3.31Å; R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 2.82Å; R157-S172 WeakPolarHBondContact CD-O 3.5Å | ||
| 158 | F | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -75.2 | 89.4 | 172.1 | -55.8 | -97.3 | 0 | 0 | 0 | 109 | A144 G145 L146 L156 Y169 V190 I242 T259 F260 | A144-F158 HydrophobicContact CB-CB 3.62Å; A144-F158 WeakPolarHBondContact CB-O 3.39Å; G145-F158 CarbonylContact O-C 3.55Å; G145-F158 WeakPolarHBondContact O-CA 3.29Å; G145-F158 VanDerWaalsContact O-CB 3.31Å; G145-F158 WeakPolarHBondContact O-CB 3.39Å; L146-F158 HydrophobicContact CB-CD1 4.18Å; L156-F158 HydrophobicContact CB-CE2 4.11Å; L156-F158 HydrophobicContact CD2-CE1 3.81Å; L156-F158 HydrophobicContact CD2-CE2 3.74Å; L156-F158 HydrophobicContact CD2-CZ 3.29Å; L156-F158 HydrophobicContact CG-CD2 4.28Å; L156-F158 HydrophobicContact CG-CE1 4.35Å; L156-F158 HydrophobicContact CG-CE2 3.79Å; L156-F158 HydrophobicContact CG-CZ 3.85Å; L156-F158 WeakPolarHBondContact O-CD2 3.41Å; L156-F158 PolarHBondContact O-N 3.23Å; F158-Y169 WeakPolarHBondContact CB-OH 3.43Å; F158-Y169 PolarHBondContact N-OH 2.88Å; F158-Y169 WeakPolarHBondContact O-CE1 3.47Å; F158-Y169 PolarHBondContact O-OH 2.88Å; F158-V190 HydrophobicContact CZ-CG2 4.18Å; F158-I242 HydrophobicContact CE2-CB 3.99Å; F158-I242 HydrophobicContact CE2-CG1 3.84Å; F158-I242 HydrophobicContact CZ-CB 4.5Å; F158-I242 HydrophobicContact CZ-CG1 4.29Å; F158-T259 VanDerWaalsContact CE1-C 3.48Å; F158-F260 HydrophobicContact CD1-CB 4.17Å; F158-F260 HydrophobicContact CD2-CB 3.59Å; F158-F260 HydrophobicContact CD2-CD1 4.21Å; F158-F260 HydrophobicContact CD2-CG 4.33Å; F158-F260 HydrophobicContact CE1-CB 4.1Å; F158-F260 HydrophobicContact CE2-CB 3.52Å; F158-F260 HydrophobicContact CE2-CD1 4.28Å; F158-F260 HydrophobicContact CE2-CG 4.17Å; F158-F260 HydrophobicContact CG-CB 3.91Å; F158-F260 HydrophobicContact CZ-CB 3.78Å | ||
| 159 | D | 97.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -87.2 | -4.9 | -170.2 | 62.1 | -23.8 | 0 | 0 | 0 | 114.1 | G145 R147 R157 V161 | G145-D159 PolarHBondContact O-N 3.16Å; R147-D159 VanDerWaalsContact CB-OD1 3.32Å; R147-D159 WeakPolarHBondContact CB-OD1 3.34Å; R147-D159 VanDerWaalsContact CG-OD1 3.29Å; R147-D159 WeakPolarHBondContact CG-OD1 3.23Å; R147-D159 PolarHBondContact N-OD1 3.03Å; R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 2.82Å; D159-V161 PolarHBondContact O-N 3.46Å | ||
| 160 | D | 98.6 | Very high | 94 | Very high | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 71.3 | 173.1 | -157 | 38.3 | 0 | 0 | 0 | 112 | A144 G145 R147 V162 N255 K256 | A144-D160 WeakPolarHBondContact CA-O 3.46Å; G145-D160 PolarHBondContact N-O 2.74Å; G145-D160 WeakPolarHBondContact O-CB 3.37Å; G145-D160 PolarHBondContact O-N 3.46Å; R147-D160 HydrophobicContact CG-CB 3.72Å; R147-D160 IonicContact CZ-OD1 2.64Å; R147-D160 IonicContact NE-OD1 3.58Å; R147-D160 PolarHBondContact NE-OD1 3.35Å; R147-D160 VanDerWaalsContact NE-OD1 3.11Å; R147-D160 IonicContact NH2-OD1 2.74Å; R147-D160 PolarHBondContact NH2-OD1 2.87Å; D160-V162 PolarHBondContact O-N 3.04Å; D160-N255 HydrophobicContact CB-CB 4.06Å; D160-N255 WeakPolarHBondContact OD2-CB 2.94Å; D160-N255 PolarHBondContact OD2-ND2 3.3Å; D160-K256 IonicContact OD2-NZ 3.5Å; D160-K256 PolarHBondContact OD2-NZ 3.25Å |
| 161 | V | 98.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118 | -177.5 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | A144 D159 N164 Y169 | A144-V161 HydrophobicContact CB-CG2 4.24Å; D159-V161 PolarHBondContact O-N 3.46Å; V161-N164 HydrophobicContact CG1-CB 3.81Å; V161-Y169 HydrophobicContact CG2-CD1 3.96Å; V161-Y169 HydrophobicContact CG2-CE1 3.99Å |
| 162 | V | 98.7 | Very high | 94.7 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -43.6 | 179.3 | 175.7 | 0 | 0 | 0 | 0 | 111 | Y143 D160 | Y143-V162 HydrophobicContact CD1-CB 3.62Å; Y143-V162 HydrophobicContact CD1-CG1 3.95Å; Y143-V162 HydrophobicContact CD1-CG2 3.96Å; Y143-V162 HydrophobicContact CE1-CB 4.1Å; Y143-V162 HydrophobicContact CE1-CG1 4.37Å; Y143-V162 HydrophobicContact CE1-CG2 3.94Å; Y143-V162 PolarHBondContact O-N 2.71Å; D160-V162 PolarHBondContact O-N 3.04Å |
| 163 | T | 98.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 57.4 Ų | 57.4 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.4 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | F142 Y143 I165 | F142-T163 CarbonylContact C-O 3.54Å; F142-T163 WeakPolarHBondContact CA-O 3.35Å; F142-T163 WeakPolarHBondContact CB-O 3.24Å; Y143-T163 PolarHBondContact N-O 3.43Å; Y143-T163 PolarHBondContact O-N 2.84Å; Y143-T163 VanDerWaalsContact O-N 3.11Å; T163-I165 HydrophobicContact CG2-CD1 4.25Å; T163-I165 HydrophobicContact CG2-CG1 3.99Å |
| 164 | N | 98.5 | Very high | 97.2 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 60.7 | 175.6 | -163.1 | 7.3 | 0 | 0 | 0 | 112.1 | A141 V161 G166 G167 N168 Y169 | A141-N164 CarbonylContact O-C 3.55Å; V161-N164 HydrophobicContact CG1-CB 3.81Å; N164-G166 PolarHBondContact O-N 3.23Å; N164-G167 PolarHBondContact O-N 3.42Å; N164-G167 WeakPolarHBondContact OD1-CA 3.35Å; N164-N168 PolarHBondContact OD1-N 3.18Å; N164-Y169 PolarHBondContact ND2-O 2.92Å; N164-Y169 PolarHBondContact OD1-N 3.29Å |
| 165 | I | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 44.4 Ų | 44.4 | 46% | 0.456 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.7 | 176.5 | -55.9 | 176.8 | 0 | 0 | 0 | 108.4 | R139 V140 A141 T163 G167 | R139-I165 HydrophobicContact CB-CG2 4.02Å; V140-I165 WeakPolarHBondContact CA-O 3.5Å; A141-I165 HydrophobicContact CB-CB 4.49Å; A141-I165 PolarHBondContact N-O 3.16Å; A141-I165 VanDerWaalsContact N-O 3.15Å; A141-I165 PolarHBondContact O-N 3.04Å; T163-I165 HydrophobicContact CG2-CD1 4.25Å; T163-I165 HydrophobicContact CG2-CG1 3.99Å; I165-G167 VanDerWaalsContact C-N 3.28Å |
| 166 | G | 96.1 | Very high | 98 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | -14.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N164 N168 K179 | N164-G166 PolarHBondContact O-N 3.23Å; G166-N168 PolarHBondContact O-N 2.98Å; G166-N168 PolarHBondContact O-OD1 2.95Å; G166-N168 VanDerWaalsContact O-OD1 3.09Å; G166-K179 PolarHBondContact O-NZ 2.92Å |
| 167 | G | 97.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 60.4 | 34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N164 I165 K179 | N164-G167 PolarHBondContact O-N 3.42Å; N164-G167 WeakPolarHBondContact OD1-CA 3.35Å; I165-G167 VanDerWaalsContact C-N 3.28Å; G167-K179 WeakPolarHBondContact O-CE 3.46Å; G167-K179 PolarHBondContact O-NZ 2.98Å |
| 168 | N | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | trans | -85.8 | -22 | -176.6 | -72.5 | 71.6 | 0 | 0 | 0 | 112.4 | V140 N164 G166 F176 T177 K179 | V140-N168 HydrophobicContact CG1-CB 3.99Å; N164-N168 PolarHBondContact OD1-N 3.18Å; G166-N168 PolarHBondContact O-N 2.98Å; G166-N168 PolarHBondContact O-OD1 2.95Å; G166-N168 VanDerWaalsContact O-OD1 3.09Å; N168-F176 HydrophobicContact CB-CD2 3.73Å; N168-F176 HydrophobicContact CB-CE2 3.29Å; N168-F176 HydrophobicContact CB-CZ 3.8Å; N168-F176 CarbonylContact O-C 3.53Å; N168-F176 WeakPolarHBondContact O-CA 3.47Å; N168-T177 WeakPolarHBondContact CB-O 3.16Å; N168-T177 PolarHBondContact ND2-O 2.78Å; N168-T177 PolarHBondContact O-N 3.43Å; N168-K179 WeakPolarHBondContact ND2-CB 2.95Å; N168-K179 WeakPolarHBondContact ND2-CG 3.38Å; N168-K179 PolarHBondContact ND2-N 2.8Å; N168-K179 VanDerWaalsContact ND2-N 3.2Å | ||
| 169 | Y | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.7 | 176.7 | -172.9 | -105.6 | 0 | 0 | 0 | 111.1 | F142 A144 F158 V161 N164 G174 F176 F260 | F142-Y169 HydrophobicContact CB-CG 4.39Å; F142-Y169 AromaticContact CD2-CD1 4Å; F142-Y169 HydrophobicContact CD2-CD1 4Å; F142-Y169 AromaticContact CD2-CD2 3.58Å; F142-Y169 HydrophobicContact CD2-CD2 3.58Å; F142-Y169 HydrophobicContact CD2-CE2 4.24Å; F142-Y169 AromaticContact CD2-CG 3.45Å; F142-Y169 HydrophobicContact CD2-CG 3.45Å; F142-Y169 VanDerWaalsContact CD2-CG 3.45Å; F142-Y169 AromaticContact CE2-CD2 3.51Å; F142-Y169 HydrophobicContact CE2-CD2 3.51Å; F142-Y169 AromaticContact CE2-CE2 3.87Å; F142-Y169 HydrophobicContact CE2-CE2 3.87Å; F142-Y169 AromaticContact CE2-CG 3.9Å; F142-Y169 HydrophobicContact CE2-CG 3.9Å; F142-Y169 HydrophobicContact CG-CD2 4.29Å; F142-Y169 AromaticContact CG-CG 3.99Å; F142-Y169 HydrophobicContact CG-CG 3.99Å; F142-Y169 HydrophobicContact CZ-CD2 4.16Å; A144-Y169 HydrophobicContact CB-CD1 4.14Å; A144-Y169 HydrophobicContact CB-CE1 3.55Å; F158-Y169 WeakPolarHBondContact CB-OH 3.43Å; F158-Y169 PolarHBondContact N-OH 2.88Å; F158-Y169 WeakPolarHBondContact O-CE1 3.47Å; F158-Y169 PolarHBondContact O-OH 2.88Å; V161-Y169 HydrophobicContact CG2-CD1 3.96Å; V161-Y169 HydrophobicContact CG2-CE1 3.99Å; N164-Y169 PolarHBondContact ND2-O 2.92Å; N164-Y169 PolarHBondContact OD1-N 3.29Å; Y169-G174 WeakPolarHBondContact CE2-O 3.26Å; Y169-G174 WeakPolarHBondContact OH-CA 3.4Å; Y169-F176 HydrophobicContact CD2-CB 4.2Å; Y169-F260 AromaticContact CE2-CD1 3.82Å; Y169-F260 HydrophobicContact CE2-CD1 3.82Å; Y169-F260 HydrophobicContact CE2-CE1 4.07Å |
| 170 | E | 98.6 | Very high | 98.1 | Very high | 100 Ų | 100 | 44.3 Ų | 44.3 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107.3 | 176.5 | 179.7 | 54.2 | -113.4 | 0 | 0 | 109.5 | S172 T173 G174 T175 | E170-S172 VanDerWaalsContact CD-OG 3.26Å; E170-S172 VanDerWaalsContact CG-OG 3.31Å; E170-S172 WeakPolarHBondContact CG-OG 3.43Å; E170-S172 PolarHBondContact O-N 2.84Å; E170-S172 WeakPolarHBondContact OE1-CB 3.3Å; E170-S172 PolarHBondContact OE1-N 3.12Å; E170-S172 PolarHBondContact OE1-OG 2.87Å; E170-T173 WeakPolarHBondContact CB-OG1 3.35Å; E170-T173 HydrophobicContact CG-CG2 4.03Å; E170-T173 PolarHBondContact O-N 2.82Å; E170-T173 PolarHBondContact O-OG1 2.85Å; E170-G174 PolarHBondContact O-N 3.38Å; E170-T175 PolarHBondContact N-O 2.8Å; E170-T175 PolarHBondContact O-N 3.35Å |
| 171 | G | 97.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T173 | G171-T173 VanDerWaalsContact C-N 3.33Š|
| 172 | S | 96.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 43 Ų | 43 | 54% | 0.538 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27.6 | 177.1 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | R157 E170 | R157-S172 WeakPolarHBondContact CD-O 3.5Å; E170-S172 VanDerWaalsContact CD-OG 3.26Å; E170-S172 VanDerWaalsContact CG-OG 3.31Å; E170-S172 WeakPolarHBondContact CG-OG 3.43Å; E170-S172 PolarHBondContact O-N 2.84Å; E170-S172 WeakPolarHBondContact OE1-CB 3.3Å; E170-S172 PolarHBondContact OE1-N 3.12Å; E170-S172 PolarHBondContact OE1-OG 2.87Å |
| 173 | T | 97.1 | Very high | 98.1 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -21.3 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | I155 E170 G171 T175 | I155-T173 WeakPolarHBondContact CG2-O 3.2Å; E170-T173 WeakPolarHBondContact CB-OG1 3.35Å; E170-T173 HydrophobicContact CG-CG2 4.03Å; E170-T173 PolarHBondContact O-N 2.82Å; E170-T173 PolarHBondContact O-OG1 2.85Å; G171-T173 VanDerWaalsContact C-N 3.33Å; T173-T175 VanDerWaalsContact C-N 3.26Å; T173-T175 WeakPolarHBondContact OG1-CB 3.15Å; T173-T175 PolarHBondContact OG1-N 3.05Å |
| 174 | G | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 6.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y169 E170 | Y169-G174 WeakPolarHBondContact CE2-O 3.26Å; Y169-G174 WeakPolarHBondContact OH-CA 3.4Å; E170-G174 PolarHBondContact O-N 3.38Å |
| 175 | T | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134 | -167 | -55 | 0 | 0 | 0 | 0 | 111.8 | E170 T173 E239 F241 | E170-T175 PolarHBondContact N-O 2.8Å; E170-T175 PolarHBondContact O-N 3.35Å; T173-T175 VanDerWaalsContact C-N 3.26Å; T173-T175 WeakPolarHBondContact OG1-CB 3.15Å; T173-T175 PolarHBondContact OG1-N 3.05Å; T175-E239 HydrophobicContact CG2-CB 3.78Å; T175-E239 HydrophobicContact CG2-CG 3.96Å; T175-F241 HydrophobicContact CG2-CD1 4.28Å |
| 176 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.3 | 161.5 | 176.1 | -86.4 | 0 | 0 | 0 | 109.2 | V140 F142 N168 Y169 C178 Y184 F186 L234 E239 V240 | V140-F176 HydrophobicContact CG1-CE2 3.78Å; V140-F176 HydrophobicContact CG1-CZ 3.92Å; F142-F176 AromaticContact CD1-CD2 3.58Å; F142-F176 HydrophobicContact CD1-CD2 3.58Å; F142-F176 AromaticContact CD1-CE2 3.96Å; F142-F176 HydrophobicContact CD1-CE2 3.96Å; F142-F176 HydrophobicContact CE1-CB 4.35Å; F142-F176 AromaticContact CE1-CD2 3.5Å; F142-F176 HydrophobicContact CE1-CD2 3.5Å; F142-F176 HydrophobicContact CE1-CE2 4.09Å; F142-F176 HydrophobicContact CE1-CG 4.16Å; F142-F176 HydrophobicContact CG-CD2 4.48Å; F142-F176 HydrophobicContact CZ-CB 4.44Å; F142-F176 HydrophobicContact CZ-CD2 4.35Å; N168-F176 HydrophobicContact CB-CD2 3.73Å; N168-F176 HydrophobicContact CB-CE2 3.29Å; N168-F176 HydrophobicContact CB-CZ 3.8Å; N168-F176 CarbonylContact O-C 3.53Å; N168-F176 WeakPolarHBondContact O-CA 3.47Å; Y169-F176 HydrophobicContact CD2-CB 4.2Å; F176-C178 HydrophobicContact CE1-CB 4.22Å; F176-Y184 HydrophobicContact CE1-CD1 4.38Å; F176-Y184 HydrophobicContact CE1-CE1 4.26Å; F176-Y184 AromaticContact CZ-CD1 3.91Å; F176-Y184 HydrophobicContact CZ-CD1 3.91Å; F176-Y184 AromaticContact CZ-CE1 3.61Å; F176-Y184 HydrophobicContact CZ-CE1 3.61Å; F176-F186 HydrophobicContact CB-CE1 4.43Å; F176-F186 AromaticContact CD1-CE1 3.96Å; F176-F186 HydrophobicContact CD1-CE1 3.96Å; F176-F186 AromaticContact CD1-CZ 3.87Å; F176-F186 HydrophobicContact CD1-CZ 3.87Å; F176-F186 HydrophobicContact CD2-CE1 4.32Å; F176-F186 HydrophobicContact CE1-CE1 4.3Å; F176-F186 AromaticContact CE1-CZ 3.93Å; F176-F186 HydrophobicContact CE1-CZ 3.93Å; F176-F186 AromaticContact CG-CE1 3.98Å; F176-F186 HydrophobicContact CG-CE1 3.98Å; F176-F186 HydrophobicContact CG-CZ 4.36Å; F176-F186 HydrophobicContact CZ-CZ 4.45Å; F176-L234 HydrophobicContact CD1-CD1 4.26Å; F176-L234 HydrophobicContact CE1-CD1 3.77Å; F176-E239 CarbonylContact O-C 3.14Å; F176-E239 WeakPolarHBondContact O-CA 3.06Å; F176-V240 HydrophobicContact CB-CB 4.36Å; F176-V240 WeakPolarHBondContact CB-O 3.17Å; F176-V240 HydrophobicContact CD1-CB 4.38Å; F176-V240 PolarHBondContact N-O 2.89Å; F176-V240 PolarHBondContact O-N 3.14Å |
| 177 | T | 98.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 34 Ų | 34 | 29% | 0.288 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.2 | 173 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | N168 K179 D238 | N168-T177 WeakPolarHBondContact CB-O 3.16Å; N168-T177 PolarHBondContact ND2-O 2.78Å; N168-T177 PolarHBondContact O-N 3.43Å; T177-K179 PolarHBondContact O-N 3.44Å; T177-D238 WeakPolarHBondContact CA-O 3.35Å |
| 178 | C | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | trans | -65.2 | 128.4 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | F176 I180 L234 D235 G237 D238 | F176-C178 HydrophobicContact CE1-CB 4.22Å; C178-I180 PolarHBondContact SG-O 2.69Å; C178-L234 HydrophobicContact CB-CB 3.98Å; C178-L234 HydrophobicContact CB-CD1 4.15Å; C178-D235 WeakPolarHBondContact CB-O 3.42Å; C178-D235 PolarHBondContact SG-O 2.97Å; C178-G237 PolarHBondContact O-N 2.68Å; C178-D238 HydrophobicContact CB-CB 4.16Å; C178-D238 WeakPolarHBondContact CB-O 3.07Å; C178-D238 PolarHBondContact N-O 3.43Å | ||
| 179 | K | 98.1 | Very high | 98.3 | Very high | 117 Ų | 117 | 34.4 Ų | 34.4 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | trans | -112.1 | -19.8 | 174.7 | -64.4 | 175.5 | -170.4 | 171.6 | 0 | 112.6 | G166 G167 N168 T177 | G166-K179 PolarHBondContact O-NZ 2.92Å; G167-K179 WeakPolarHBondContact O-CE 3.46Å; G167-K179 PolarHBondContact O-NZ 2.98Å; N168-K179 WeakPolarHBondContact ND2-CB 2.95Å; N168-K179 WeakPolarHBondContact ND2-CG 3.38Å; N168-K179 PolarHBondContact ND2-N 2.8Å; N168-K179 VanDerWaalsContact ND2-N 3.2Å; T177-K179 PolarHBondContact O-N 3.44Å | ||
| 180 | I | 97.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -129.9 | 113.8 | -175.8 | -57.4 | 179.2 | 0 | 0 | 0 | 106.4 | P138 V140 C178 Y184 I264 A267 | P138-I180 HydrophobicContact CB-CD1 3.83Å; P138-I180 HydrophobicContact CB-CG2 4.12Å; P138-I180 HydrophobicContact CG-CD1 4.43Å; P138-I180 HydrophobicContact CG-CG2 4.2Å; V140-I180 HydrophobicContact CG2-CD1 4.18Å; C178-I180 PolarHBondContact SG-O 2.69Å; I180-Y184 WeakPolarHBondContact O-CE2 3.29Å; I180-Y184 PolarHBondContact O-OH 3.48Å; I180-I264 HydrophobicContact CG2-CD1 4.35Å; I180-A267 HydrophobicContact CG2-CB 4.04Å |
| 181 | P | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 31% | 0.312 | 17% | 0.171 | S | C | . | . | trans | -55.6 | 140.5 | 176.5 | -23.5 | 33.8 | 0 | 0 | 0 | 111.4 | L234 A236 D268 | P181-L234 VanDerWaalsContact CA-O 3.26Å; P181-L234 WeakPolarHBondContact CA-O 3.4Å; P181-A236 HydrophobicContact CG-CB 4.08Å; P181-D268 HydrophobicContact CB-CB 4.37Å; P181-D268 WeakPolarHBondContact CB-OD2 3.45Å; P181-D268 PolarHBondContact O-N 3.46Å; P181-D268 VanDerWaalsContact O-N 3.13Å | ||
| 182 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -176.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y184 H233 L234 Y266 D268 | G182-Y184 WeakPolarHBondContact O-CD2 3.39Å; G182-H233 CarbonylContact O-C 3.12Å; G182-H233 WeakPolarHBondContact O-CA 3.34Å; G182-L234 PolarHBondContact N-O 3.22Å; G182-L234 PolarHBondContact O-N 3.38Å; G182-Y266 CarbonylContact C-O 3.46Å; G182-Y266 VanDerWaalsContact CA-O 3.24Å; G182-Y266 WeakPolarHBondContact CA-O 3.09Å; G182-D268 WeakPolarHBondContact CA-OD1 3.47Å; G182-D268 PolarHBondContact N-OD2 3.17Å |
| 183 | T | 98.7 | Very high | 97.6 | Very high | 38 Ų | 38 | 31 Ų | 31 | 23% | 0.233 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.1 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 110.2 | I231 L232 L265 Y266 | T183-I231 HydrophobicContact CG2-CG2 3.42Å; T183-I231 VanDerWaalsContact CG2-CG2 3.42Å; T183-L232 WeakPolarHBondContact CA-O 3.14Å; T183-L265 HydrophobicContact CG2-CD1 4.11Å; T183-L265 WeakPolarHBondContact O-CB 3.34Å; T183-L265 PolarHBondContact O-N 2.87Å; T183-Y266 PolarHBondContact N-O 3.07Å; T183-Y266 PolarHBondContact O-N 2.91Å |
| 184 | Y | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.1 | -175.9 | -70.7 | -99.3 | 0 | 0 | 0 | 111.3 | V140 F176 I180 G182 F186 I231 L232 L234 F263 I264 | V140-Y184 HydrophobicContact CB-CE1 4.14Å; V140-Y184 HydrophobicContact CG1-CE1 3.97Å; F176-Y184 HydrophobicContact CE1-CD1 4.38Å; F176-Y184 HydrophobicContact CE1-CE1 4.26Å; F176-Y184 AromaticContact CZ-CD1 3.91Å; F176-Y184 HydrophobicContact CZ-CD1 3.91Å; F176-Y184 AromaticContact CZ-CE1 3.61Å; F176-Y184 HydrophobicContact CZ-CE1 3.61Å; I180-Y184 WeakPolarHBondContact O-CE2 3.29Å; I180-Y184 PolarHBondContact O-OH 3.48Å; G182-Y184 WeakPolarHBondContact O-CD2 3.39Å; Y184-F186 VanDerWaalsContact CB-CE2 3.44Å; Y184-F186 HydrophobicContact CD1-CZ 4.42Å; Y184-F186 HydrophobicContact CG-CE2 4.34Å; Y184-F186 HydrophobicContact CG-CZ 4.29Å; Y184-I231 CarbonylContact O-C 3.56Å; Y184-I231 VanDerWaalsContact O-CA 3.27Å; Y184-I231 WeakPolarHBondContact O-CA 3.43Å; Y184-L232 PolarHBondContact N-O 3.24Å; Y184-L232 PolarHBondContact O-N 3.18Å; Y184-L234 HydrophobicContact CD2-CB 3.95Å; Y184-L234 HydrophobicContact CD2-CD1 3.73Å; Y184-L234 HydrophobicContact CD2-CG 3.88Å; Y184-L234 HydrophobicContact CE2-CB 4.12Å; Y184-L234 HydrophobicContact CE2-CD1 4.24Å; Y184-L234 HydrophobicContact CE2-CG 4.48Å; Y184-L234 HydrophobicContact CG-CD1 3.94Å; Y184-L234 HydrophobicContact CG-CG 4.45Å; Y184-F263 WeakPolarHBondContact CA-O 3.49Å; Y184-I264 HydrophobicContact CD1-CB 3.91Å; Y184-I264 HydrophobicContact CD1-CG1 4.34Å; Y184-I264 HydrophobicContact CE1-CB 3.55Å; Y184-I264 HydrophobicContact CE1-CD1 4.31Å; Y184-I264 HydrophobicContact CE1-CG1 3.94Å; Y184-I264 HydrophobicContact CE2-CD1 4.28Å; Y184-I264 HydrophobicContact CE2-CG1 4.17Å |
| 185 | F | 98.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 29.8 Ų | 29.8 | 21% | 0.211 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.7 | 166.7 | 173.9 | -95.8 | 0 | 0 | 0 | 109.7 | I187 I231 G262 F263 L265 | F185-I187 HydrophobicContact CE1-CB 3.77Å; F185-I187 HydrophobicContact CE1-CG2 3.65Å; F185-I187 HydrophobicContact CZ-CB 3.84Å; F185-I187 HydrophobicContact CZ-CD1 4.48Å; F185-I187 HydrophobicContact CZ-CG2 4.18Å; F185-I231 HydrophobicContact CD2-CG1 3.98Å; F185-G262 CarbonylContact O-C 3.5Å; F185-G262 WeakPolarHBondContact O-CA 3.3Å; F185-F263 HydrophobicContact CB-CE1 4.2Å; F185-F263 HydrophobicContact CB-CE2 4.27Å; F185-F263 HydrophobicContact CB-CZ 4.01Å; F185-F263 HydrophobicContact CD1-CD1 4.06Å; F185-F263 AromaticContact CD1-CE1 3.36Å; F185-F263 HydrophobicContact CD1-CE1 3.36Å; F185-F263 AromaticContact CD1-CZ 3.78Å; F185-F263 HydrophobicContact CD1-CZ 3.78Å; F185-F263 HydrophobicContact CE1-CE1 4.07Å; F185-F263 HydrophobicContact CG-CE1 4.11Å; F185-F263 HydrophobicContact CG-CZ 4.11Å; F185-F263 PolarHBondContact N-O 3.22Å; F185-F263 PolarHBondContact O-N 3.44Å; F185-L265 HydrophobicContact CB-CD1 4.21Å; F185-L265 HydrophobicContact CB-CG 4.32Å |
| 186 | F | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.8 | 172.6 | -62.5 | -83.3 | 0 | 0 | 0 | 110.5 | F142 F176 Y184 L204 S229 V230 L232 L234 V240 F260 S261 | F142-F186 HydrophobicContact CE1-CD1 4.01Å; F142-F186 AromaticContact CE1-CE1 3.83Å; F142-F186 HydrophobicContact CE1-CE1 3.83Å; F142-F186 HydrophobicContact CZ-CD1 4.15Å; F142-F186 HydrophobicContact CZ-CE1 4.27Å; F176-F186 HydrophobicContact CB-CE1 4.43Å; F176-F186 AromaticContact CD1-CE1 3.96Å; F176-F186 HydrophobicContact CD1-CE1 3.96Å; F176-F186 AromaticContact CD1-CZ 3.87Å; F176-F186 HydrophobicContact CD1-CZ 3.87Å; F176-F186 HydrophobicContact CD2-CE1 4.32Å; F176-F186 HydrophobicContact CE1-CE1 4.3Å; F176-F186 AromaticContact CE1-CZ 3.93Å; F176-F186 HydrophobicContact CE1-CZ 3.93Å; F176-F186 AromaticContact CG-CE1 3.98Å; F176-F186 HydrophobicContact CG-CE1 3.98Å; F176-F186 HydrophobicContact CG-CZ 4.36Å; F176-F186 HydrophobicContact CZ-CZ 4.45Å; Y184-F186 VanDerWaalsContact CB-CE2 3.44Å; Y184-F186 HydrophobicContact CD1-CZ 4.42Å; Y184-F186 HydrophobicContact CG-CE2 4.34Å; Y184-F186 HydrophobicContact CG-CZ 4.29Å; F186-L204 HydrophobicContact CB-CD1 3.62Å; F186-L204 HydrophobicContact CG-CD1 4.2Å; F186-S229 CarbonylContact O-C 3.51Å; F186-S229 WeakPolarHBondContact O-CA 3.45Å; F186-S229 WeakPolarHBondContact O-CB 3.17Å; F186-V230 HydrophobicContact CB-CG1 4.12Å; F186-V230 HydrophobicContact CD2-CG1 4.47Å; F186-V230 PolarHBondContact N-O 2.98Å; F186-V230 PolarHBondContact O-N 3.18Å; F186-L232 HydrophobicContact CD2-CD1 4.42Å; F186-L234 HydrophobicContact CE2-CD1 3.82Å; F186-L234 HydrophobicContact CZ-CD1 3.66Å; F186-V240 HydrophobicContact CD1-CG1 4.28Å; F186-V240 HydrophobicContact CD2-CG1 4.48Å; F186-V240 HydrophobicContact CE1-CB 4.34Å; F186-V240 HydrophobicContact CE1-CG1 4.19Å; F186-V240 HydrophobicContact CE2-CG1 4.4Å; F186-V240 HydrophobicContact CE2-CG2 4.24Å; F186-V240 HydrophobicContact CG-CG1 4.43Å; F186-V240 HydrophobicContact CZ-CB 4.23Å; F186-V240 HydrophobicContact CZ-CG1 4.27Å; F186-V240 HydrophobicContact CZ-CG2 4.08Å; F186-F260 HydrophobicContact CB-CE2 4.21Å; F186-F260 HydrophobicContact CD1-CE2 4Å; F186-F260 AromaticContact CD1-CZ 3.92Å; F186-F260 HydrophobicContact CD1-CZ 3.92Å; F186-S261 WeakPolarHBondContact CA-O 3.47Å |
| 187 | I | 98.9 | Very high | 94 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 26% | 0.256 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.1 | 171.6 | -174.6 | 169.7 | 0 | 0 | 0 | 109.7 | F185 F260 S261 | F185-I187 HydrophobicContact CE1-CB 3.77Å; F185-I187 HydrophobicContact CE1-CG2 3.65Å; F185-I187 HydrophobicContact CZ-CB 3.84Å; F185-I187 HydrophobicContact CZ-CD1 4.48Å; F185-I187 HydrophobicContact CZ-CG2 4.18Å; I187-F260 WeakPolarHBondContact O-CD2 3.4Å; I187-S261 WeakPolarHBondContact CG2-OG 3.3Å; I187-S261 PolarHBondContact N-O 2.95Å; I187-S261 PolarHBondContact O-N 3.38Å |
| 188 | Y | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.7 | 173.3 | 61.5 | -88.5 | 0 | 0 | 0 | 110.1 | V190 A202 L204 A212 A214 S227 N228 I242 T259 | Y188-V190 HydrophobicContact CD2-CG2 4.12Å; Y188-A202 HydrophobicContact CD2-CB 4.22Å; Y188-A202 HydrophobicContact CE2-CB 3.78Å; Y188-A202 PolarHBondContact OH-O 3.32Å; Y188-L204 HydrophobicContact CD1-CB 4.15Å; Y188-L204 HydrophobicContact CD1-CD1 4.16Å; Y188-L204 HydrophobicContact CE1-CB 3.67Å; Y188-L204 HydrophobicContact CE1-CD1 4.32Å; Y188-A212 PolarHBondContact OH-O 3.05Å; Y188-A214 HydrophobicContact CE2-CB 4.15Å; Y188-A214 PolarHBondContact OH-N 2.99Å; Y188-S227 VanDerWaalsContact O-CA 3.28Å; Y188-S227 WeakPolarHBondContact O-CA 3.27Å; Y188-S227 WeakPolarHBondContact O-CB 3.5Å; Y188-N228 WeakPolarHBondContact CD1-O 3.25Å; Y188-N228 HydrophobicContact CE1-CB 3.75Å; Y188-N228 HydrophobicContact CE2-CB 4.14Å; Y188-N228 VanDerWaalsContact CZ-CB 3.44Å; Y188-N228 PolarHBondContact N-O 2.83Å; Y188-N228 PolarHBondContact O-N 2.98Å; Y188-N228 WeakPolarHBondContact OH-CB 3.48Å; Y188-I242 HydrophobicContact CD1-CD1 3.48Å; Y188-I242 VanDerWaalsContact CD1-CD1 3.48Å; Y188-I242 HydrophobicContact CD2-CD1 4.41Å; Y188-I242 HydrophobicContact CE1-CD1 4.08Å; Y188-I242 HydrophobicContact CG-CD1 3.66Å; Y188-I242 HydrophobicContact CG-CG1 4.3Å; Y188-T259 WeakPolarHBondContact CA-O 3.39Å |
| 189 | N | 98.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 114 | 169.8 | -51.5 | -88.7 | 0 | 0 | 0 | 106.5 | Y225 S227 S258 T259 | N189-Y225 HydrophobicContact CB-CD1 3.99Å; N189-Y225 HydrophobicContact CB-CE1 3.86Å; N189-S227 WeakPolarHBondContact CA-OG 3.43Å; N189-S227 WeakPolarHBondContact OD1-CB 3.4Å; N189-S227 PolarHBondContact OD1-OG 2.91Å; N189-S258 CarbonylContact O-C 3.55Å; N189-S258 VanDerWaalsContact O-CA 3.25Å; N189-S258 WeakPolarHBondContact O-CA 3.31Å; N189-T259 PolarHBondContact N-O 2.78Å; N189-T259 PolarHBondContact O-N 2.8Å |
| 190 | V | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.9 | -178 | -172 | 0 | 0 | 0 | 0 | 109 | L156 F158 Y188 M192 A202 Y225 A226 I242 L244 A249 | L156-V190 HydrophobicContact CD2-CG1 3.9Å; L156-V190 HydrophobicContact CD2-CG2 4.06Å; F158-V190 HydrophobicContact CZ-CG2 4.18Å; Y188-V190 HydrophobicContact CD2-CG2 4.12Å; V190-M192 HydrophobicContact CB-CG 4.09Å; V190-M192 HydrophobicContact CB-SD 4.48Å; V190-M192 HydrophobicContact CG1-CG 3.49Å; V190-M192 VanDerWaalsContact CG1-CG 3.49Å; V190-M192 HydrophobicContact CG1-SD 4.15Å; V190-M192 PolarHBondContact O-N 2.69Å; V190-A202 HydrophobicContact CB-CB 4.25Å; V190-A202 HydrophobicContact CG2-CB 3.97Å; V190-Y225 WeakPolarHBondContact O-CA 3.44Å; V190-A226 PolarHBondContact N-O 2.89Å; V190-A226 PolarHBondContact O-N 2.84Å; V190-I242 HydrophobicContact CG2-CG2 4.42Å; V190-L244 HydrophobicContact CG1-CD2 4.02Å; V190-A249 HydrophobicContact CG1-CB 3.57Å |
| 191 | L | 96 | Very high | 92.3 | Very high | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 111.5 | 168.9 | 177.1 | 65.9 | 0 | 0 | 0 | 108 | Y223 Y225 A249 H250 Y257 S258 | L191-Y223 HydrophobicContact CD1-CD1 3.99Å; L191-Y223 HydrophobicContact CD1-CG 4.43Å; L191-Y223 HydrophobicContact CD2-CD1 4.21Å; L191-Y223 HydrophobicContact CG-CD1 3.96Å; L191-Y225 HydrophobicContact CB-CE1 4.05Å; L191-Y225 HydrophobicContact CB-CE2 4.25Å; L191-Y225 HydrophobicContact CD1-CD2 4.09Å; L191-Y225 HydrophobicContact CD1-CE2 3.83Å; L191-A249 CarbonylContact O-C 3.48Å; L191-A249 WeakPolarHBondContact O-CA 3.41Å; L191-H250 HydrophobicContact CD2-CB 4.14Å; L191-H250 HydrophobicContact CG-CB 4.34Å; L191-H250 PolarHBondContact O-N 3.16Å; L191-Y257 HydrophobicContact CD2-CD1 3.88Å; L191-Y257 HydrophobicContact CD2-CG 4.02Å; L191-S258 PolarHBondContact N-OG 3.09Å; L191-S258 PolarHBondContact O-OG 3.4Å |
| 192 | M | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 151.7 | -175.9 | -59.5 | -174.4 | 71.5 | 0 | 0 | 111.4 | V190 M200 A202 Y223 D224 A226 L244 G246 K248 | V190-M192 HydrophobicContact CB-CG 4.09Å; V190-M192 HydrophobicContact CB-SD 4.48Å; V190-M192 HydrophobicContact CG1-CG 3.49Å; V190-M192 VanDerWaalsContact CG1-CG 3.49Å; V190-M192 HydrophobicContact CG1-SD 4.15Å; V190-M192 PolarHBondContact O-N 2.69Å; M192-M200 HydrophobicContact CB-CE 4.07Å; M192-M200 HydrophobicContact CB-SD 3.55Å; M192-M200 VanDerWaalsContact CB-SD 3.55Å; M192-M200 HydrophobicContact CE-CB 3.8Å; M192-M200 HydrophobicContact CE-CG 4.44Å; M192-M200 HydrophobicContact CE-SD 4.43Å; M192-M200 HydrophobicContact SD-CB 4.15Å; M192-A202 HydrophobicContact SD-CB 4.24Å; M192-Y223 WeakPolarHBondContact O-CA 3.28Å; M192-D224 PolarHBondContact N-O 3.23Å; M192-D224 PolarHBondContact O-N 3.07Å; M192-A226 HydrophobicContact SD-CB 3.7Å; M192-L244 HydrophobicContact CE-CB 4.4Å; M192-L244 HydrophobicContact CE-CD1 4.44Å; M192-L244 HydrophobicContact CE-CD2 3.83Å; M192-L244 HydrophobicContact CE-CG 4.42Å; M192-L244 HydrophobicContact SD-CD2 4.05Å; M192-G246 WeakPolarHBondContact CE-O 3.27Å; M192-K248 CarbonylContact C-O 3.6Å; M192-K248 VanDerWaalsContact CA-O 3.27Å; M192-K248 WeakPolarHBondContact CA-O 3.49Å |
| 193 | R | 90.3 | Very high | 92.2 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 37% | 0.366 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.6 | 168.3 | -178.2 | 175.5 | 170.5 | -169 | -5.4 | 109.7 | Q221 Y223 G247 K248 | R193-Q221 VanDerWaalsContact NH2-OE1 3.09Å; R193-Y223 HydrophobicContact CB-CD1 3.96Å; R193-Y223 HydrophobicContact CB-CE1 3.72Å; R193-Y223 HydrophobicContact CG-CE1 4.4Å; R193-G247 CarbonylContact O-C 3.53Å; R193-G247 VanDerWaalsContact O-CA 3.24Å; R193-G247 WeakPolarHBondContact O-CA 3.24Å; R193-K248 PolarHBondContact N-O 3.12Å; R193-K248 PolarHBondContact O-N 3.26Å |
| 194 | G | 82.9 | Confident | 92.2 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | trans | -105.2 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M200 | G194-M200 WeakPolarHBondContact CA-SD 3.38Å; G194-M200 PolarHBondContact N-SD 2.93Å | ||
| 195 | G | 80.5 | Confident | 92.2 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 31% | 0.309 | 18% | 0.176 | S | C | . | . | trans | -80.3 | 162.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G197 T198 | G195-G197 PolarHBondContact O-N 2.81Å; G195-T198 VanDerWaalsContact C-OG1 3.3Å; G195-T198 WeakPolarHBondContact CA-OG1 3.31Å; G195-T198 PolarHBondContact N-OG1 3.31Å; G195-T198 PolarHBondContact O-N 2.81Å; G195-T198 VanDerWaalsContact O-N 3.07Å; G195-T198 PolarHBondContact O-OG1 3.41Å | ||
| 196 | D | 76.9 | Confident | 92.2 | Very high | 98 Ų | 98 | 31.3 Ų | 31.3 | 52% | 0.524 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 122.9 | -177.8 | -60.5 | -66.2 | 0 | 0 | 0 | 111.9 | T198 Q221 | D196-T198 PolarHBondContact O-N 3.28Å; D196-T198 VanDerWaalsContact O-N 3.12Å; D196-Q221 HydrophobicContact CB-CG 4.46Å; D196-Q221 WeakPolarHBondContact OD1-CG 3.22Å; D196-Q221 PolarHBondContact OD1-N 2.6Å; D196-Q221 VanDerWaalsContact OD1-N 3.16Å; D196-Q221 WeakPolarHBondContact OD2-CG 3.36Å; D196-Q221 PolarHBondContact OD2-NE2 2.96Å |
| 197 | G | 75.6 | Confident | 92.1 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 38% | 0.381 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 8.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G195 Q217 D218 Q219 | G195-G197 PolarHBondContact O-N 2.81Å; G197-Q217 PolarHBondContact O-NE2 3.14Å; G197-Q217 VanDerWaalsContact O-NE2 3.07Å; G197-D218 WeakPolarHBondContact CA-O 3.32Å; G197-D218 PolarHBondContact N-O 3.43Å; G197-Q219 PolarHBondContact N-O 3.31Å |
| 198 | T | 83.8 | Confident | 91.9 | Very high | 67 Ų | 67 | 36 Ų | 36 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | trans | -92.2 | 136.3 | 179.5 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | G195 D196 | G195-T198 VanDerWaalsContact C-OG1 3.3Å; G195-T198 WeakPolarHBondContact CA-OG1 3.31Å; G195-T198 PolarHBondContact N-OG1 3.31Å; G195-T198 PolarHBondContact O-N 2.81Å; G195-T198 VanDerWaalsContact O-N 3.07Å; G195-T198 PolarHBondContact O-OG1 3.41Å; D196-T198 PolarHBondContact O-N 3.28Å; D196-T198 VanDerWaalsContact O-N 3.12Å | ||
| 199 | S | 88.3 | Confident | 91.8 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 147.5 | 171.3 | -50.8 | 0 | 0 | 0 | 0 | 110.6 | Q217 | S199-Q217 PolarHBondContact OG-OE1 3.38Å; S199-Q217 VanDerWaalsContact OG-OE1 3.04Å |
| 200 | M | 91.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.8 | 174.2 | -59.9 | 177.5 | -75.5 | 0 | 0 | 109.2 | M192 G194 I215 A216 D245 G246 | M192-M200 HydrophobicContact CB-CE 4.07Å; M192-M200 HydrophobicContact CB-SD 3.55Å; M192-M200 VanDerWaalsContact CB-SD 3.55Å; M192-M200 HydrophobicContact CE-CB 3.8Å; M192-M200 HydrophobicContact CE-CG 4.44Å; M192-M200 HydrophobicContact CE-SD 4.43Å; M192-M200 HydrophobicContact SD-CB 4.15Å; G194-M200 WeakPolarHBondContact CA-SD 3.38Å; G194-M200 PolarHBondContact N-SD 2.93Å; M200-I215 CarbonylContact O-C 3.6Å; M200-I215 WeakPolarHBondContact O-CA 3.36Å; M200-A216 HydrophobicContact CE-CB 4.18Å; M200-A216 PolarHBondContact N-O 2.91Å; M200-A216 PolarHBondContact O-N 2.82Å; M200-D245 CarbonylContact C-O 3.58Å; M200-G246 WeakPolarHBondContact CB-O 3.19Å; M200-G246 WeakPolarHBondContact CG-O 3.18Å |
| 201 | W | 93.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.7 | -178.9 | -56.4 | -78 | 0 | 0 | 0 | 111.3 | A214 I215 L244 D245 | W201-A214 VanDerWaalsContact CA-O 3.28Å; W201-A214 WeakPolarHBondContact CA-O 2.82Å; W201-I215 HydrophobicContact CZ2-CD1 4.41Å; W201-I215 VanDerWaalsContact NE1-CD1 3.26Å; W201-I215 VanDerWaalsContact NE1-CG1 3.33Å; W201-L244 WeakPolarHBondContact O-CA 3.47Å; W201-D245 HydrophobicContact CB-CB 4.28Å; W201-D245 HydrophobicContact CE3-CB 3.75Å; W201-D245 PolarHBondContact N-O 2.84Å; W201-D245 PolarHBondContact O-N 3.35Å |
| 202 | A | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y188 V190 M192 A214 A226 I242 L244 | Y188-A202 HydrophobicContact CD2-CB 4.22Å; Y188-A202 HydrophobicContact CE2-CB 3.78Å; Y188-A202 PolarHBondContact OH-O 3.32Å; V190-A202 HydrophobicContact CB-CB 4.25Å; V190-A202 HydrophobicContact CG2-CB 3.97Å; M192-A202 HydrophobicContact SD-CB 4.24Å; A202-A214 PolarHBondContact N-O 2.84Å; A202-A214 PolarHBondContact O-N 3.37Å; A202-A226 HydrophobicContact CB-CB 3.68Å; A202-I242 HydrophobicContact CB-CG2 4.26Å; A202-L244 HydrophobicContact CB-CD2 3.89Å |
| 203 | D | 98.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.5 | -176.2 | -71.6 | -16 | 0 | 0 | 0 | 110.4 | I205 V210 S213 I242 K243 | D203-I205 HydrophobicContact CB-CD1 3.81Å; D203-V210 HydrophobicContact CB-CG1 4.15Å; D203-V210 HydrophobicContact CB-CG2 4.27Å; D203-S213 WeakPolarHBondContact OD1-CA 3.25Å; D203-S213 WeakPolarHBondContact OD1-CB 3.43Å; D203-S213 PolarHBondContact OD1-OG 2.74Å; D203-I242 CarbonylContact O-C 3.55Å; D203-I242 VanDerWaalsContact O-CA 3.29Å; D203-I242 WeakPolarHBondContact O-CA 3.35Å; D203-K243 PolarHBondContact N-O 2.86Å; D203-K243 PolarHBondContact O-N 2.83Å |
| 204 | L | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.8 | 165.5 | -175.8 | 152.6 | 0 | 0 | 0 | 109 | F186 Y188 R211 A212 V230 L232 V240 I242 F260 | F186-L204 HydrophobicContact CB-CD1 3.62Å; F186-L204 HydrophobicContact CG-CD1 4.2Å; Y188-L204 HydrophobicContact CD1-CB 4.15Å; Y188-L204 HydrophobicContact CD1-CD1 4.16Å; Y188-L204 HydrophobicContact CE1-CB 3.67Å; Y188-L204 HydrophobicContact CE1-CD1 4.32Å; L204-R211 HydrophobicContact CD2-CB 4.01Å; L204-R211 HydrophobicContact CD2-CG 4.48Å; L204-R211 PolarHBondContact O-N 2.94Å; L204-A212 HydrophobicContact CB-CB 4.4Å; L204-A212 PolarHBondContact N-O 3.38Å; L204-V230 HydrophobicContact CD1-CG1 3.77Å; L204-V230 HydrophobicContact CD2-CG1 3.93Å; L204-V230 HydrophobicContact CG-CG1 4.45Å; L204-L232 HydrophobicContact CD2-CD1 3.85Å; L204-V240 HydrophobicContact CD1-CG1 4.05Å; L204-V240 HydrophobicContact CD2-CG1 3.67Å; L204-V240 HydrophobicContact CG-CG1 3.8Å; L204-I242 HydrophobicContact CB-CD1 3.75Å; L204-I242 HydrophobicContact CD1-CD1 4.1Å; L204-I242 HydrophobicContact CG-CD1 4.03Å; L204-F260 HydrophobicContact CD1-CE2 4.1Å; L204-F260 HydrophobicContact CD1-CZ 4.44Å |
| 205 | I | 98.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.5 | -177.4 | -52.6 | -56.6 | 0 | 0 | 0 | 109.3 | D203 G208 Q209 V210 V240 F241 K243 | D203-I205 HydrophobicContact CB-CD1 3.81Å; I205-G208 VanDerWaalsContact CG2-CA 3.45Å; I205-Q209 CarbonylContact C-O 3.54Å; I205-Q209 WeakPolarHBondContact CA-O 3.32Å; I205-V210 HydrophobicContact CD1-CB 4.19Å; I205-V210 HydrophobicContact CD1-CG2 3.52Å; I205-V240 VanDerWaalsContact O-CA 3.25Å; I205-V240 WeakPolarHBondContact O-CA 3.38Å; I205-F241 HydrophobicContact CB-CD2 3.95Å; I205-F241 HydrophobicContact CB-CE1 4.3Å; I205-F241 HydrophobicContact CB-CE2 3.58Å; I205-F241 HydrophobicContact CB-CG 4.47Å; I205-F241 HydrophobicContact CB-CZ 3.78Å; I205-F241 HydrophobicContact CG1-CD2 4.14Å; I205-F241 HydrophobicContact CG1-CE2 3.7Å; I205-F241 HydrophobicContact CG1-CZ 4.3Å; I205-F241 HydrophobicContact CG2-CE1 4.1Å; I205-F241 HydrophobicContact CG2-CE2 3.85Å; I205-F241 HydrophobicContact CG2-CZ 3.54Å; I205-F241 PolarHBondContact N-O 3.21Å; I205-F241 PolarHBondContact O-N 3.15Å; I205-F241 VanDerWaalsContact O-N 3.12Å; I205-K243 HydrophobicContact CD1-CB 4.43Å; I205-K243 HydrophobicContact CG1-CB 3.83Å |
| 206 | K | 98.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.9 | 163.6 | -180 | -171.9 | 175.6 | 176 | 0 | 108.4 | G208 Q209 R211 H233 L234 D238 E239 V240 | K206-G208 PolarHBondContact O-N 2.82Å; K206-G208 VanDerWaalsContact O-N 3.14Å; K206-Q209 PolarHBondContact N-O 3.02Å; K206-Q209 PolarHBondContact O-N 2.88Å; K206-R211 HydrophobicContact CB-CG 3.47Å; K206-R211 VanDerWaalsContact CB-CG 3.47Å; K206-H233 PolarHBondContact NZ-O 3.36Å; K206-L234 HydrophobicContact CD-CD2 3.72Å; K206-L234 HydrophobicContact CG-CD2 4.16Å; K206-D238 VanDerWaalsContact CE-CG 3.46Å; K206-D238 WeakPolarHBondContact CE-OD2 3.33Å; K206-D238 IonicContact NZ-OD2 2.69Å; K206-D238 PolarHBondContact NZ-OD2 3.37Å; K206-E239 VanDerWaalsContact CA-O 3.31Å; K206-E239 WeakPolarHBondContact CA-O 3.36Å; K206-V240 HydrophobicContact CG-CG2 4.48Å |
| 207 | N | 96.7 | Very high | 94 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 44.3 | 177.9 | -60 | -14.7 | 0 | 0 | 0 | 114 | Q209 D238 E239 | N207-Q209 VanDerWaalsContact C-N 3.34Å; N207-Q209 PolarHBondContact O-N 2.87Å; N207-D238 PolarHBondContact ND2-OD1 3.36Å; N207-D238 WeakPolarHBondContact OD1-CA 3.29Å; N207-E239 PolarHBondContact N-O 3.32Å; N207-E239 PolarHBondContact OD1-N 3.43Å |
| 208 | G | 94.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 66% | 0.66 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -1.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I205 K206 | I205-G208 VanDerWaalsContact CG2-CA 3.45Å; K206-G208 PolarHBondContact O-N 2.82Å; K206-G208 VanDerWaalsContact O-N 3.14Å |
| 209 | Q | 98 | Very high | 93.7 | Very high | 122 Ų | 122 | 55.8 Ų | 55.8 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.6 | 174.7 | -63.5 | -172.1 | -5.1 | 0 | 0 | 112.1 | I205 K206 N207 R211 | I205-Q209 CarbonylContact C-O 3.54Å; I205-Q209 WeakPolarHBondContact CA-O 3.32Å; K206-Q209 PolarHBondContact N-O 3.02Å; K206-Q209 PolarHBondContact O-N 2.88Å; N207-Q209 VanDerWaalsContact C-N 3.34Å; N207-Q209 PolarHBondContact O-N 2.87Å; Q209-R211 PolarHBondContact O-N 2.97Å |
| 210 | V | 98.3 | Very high | 93 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 124.6 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | D203 I205 | D203-V210 HydrophobicContact CB-CG1 4.15Å; D203-V210 HydrophobicContact CB-CG2 4.27Å; I205-V210 HydrophobicContact CD1-CB 4.19Å; I205-V210 HydrophobicContact CD1-CG2 3.52Å |
| 211 | R | 98.7 | Very high | 91.8 | Very high | 120 Ų | 120 | 64.1 Ų | 64.1 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -26.9 | 177.6 | -55.3 | -50.9 | -59.9 | 177.8 | 1.5 | 113 | L204 K206 Q209 L232 | L204-R211 HydrophobicContact CD2-CB 4.01Å; L204-R211 HydrophobicContact CD2-CG 4.48Å; L204-R211 PolarHBondContact O-N 2.94Å; K206-R211 HydrophobicContact CB-CG 3.47Å; K206-R211 VanDerWaalsContact CB-CG 3.47Å; Q209-R211 PolarHBondContact O-N 2.97Å; R211-L232 HydrophobicContact CB-CD1 4.08Å; R211-L232 HydrophobicContact CB-CD2 4.12Å; R211-L232 HydrophobicContact CG-CD1 4.08Å; R211-L232 HydrophobicContact CG-CD2 4.29Å |
| 212 | A | 98.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 140.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y188 L204 N228 V230 | Y188-A212 PolarHBondContact OH-O 3.05Å; L204-A212 HydrophobicContact CB-CB 4.4Å; L204-A212 PolarHBondContact N-O 3.38Å; A212-N228 HydrophobicContact CB-CB 4.43Å; A212-V230 HydrophobicContact CB-CB 4.12Å; A212-V230 HydrophobicContact CB-CG1 4.47Å |
| 213 | S | 98.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.6 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | D203 N228 | D203-S213 WeakPolarHBondContact OD1-CA 3.25Å; D203-S213 WeakPolarHBondContact OD1-CB 3.43Å; D203-S213 PolarHBondContact OD1-OG 2.74Å; S213-N228 PolarHBondContact O-ND2 2.55Å |
| 214 | A | 97.5 | Very high | 90.6 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y188 W201 A202 A226 S227 N228 | Y188-A214 HydrophobicContact CE2-CB 4.15Å; Y188-A214 PolarHBondContact OH-N 2.99Å; W201-A214 VanDerWaalsContact CA-O 3.28Å; W201-A214 WeakPolarHBondContact CA-O 2.82Å; A202-A214 PolarHBondContact N-O 2.84Å; A202-A214 PolarHBondContact O-N 3.37Å; A214-A226 HydrophobicContact CB-CB 3.9Å; A214-S227 VanDerWaalsContact CB-N 3.33Å; A214-N228 HydrophobicContact CB-CB 4.32Å |
| 215 | I | 94.5 | Very high | 90.4 | Very high | 103 Ų | 103 | 73.9 Ų | 73.9 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.1 | 176 | -172 | 174.7 | 0 | 0 | 0 | 109.7 | M200 W201 | M200-I215 CarbonylContact O-C 3.6Å; M200-I215 WeakPolarHBondContact O-CA 3.36Å; W201-I215 HydrophobicContact CZ2-CD1 4.41Å; W201-I215 VanDerWaalsContact NE1-CD1 3.26Å; W201-I215 VanDerWaalsContact NE1-CG1 3.33Å |
| 216 | A | 89 | Confident | 90.3 | Very high | 4 Ų | 4 | 73.4 Ų | 73.4 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | M200 D224 | M200-A216 HydrophobicContact CE-CB 4.18Å; M200-A216 PolarHBondContact N-O 2.91Å; M200-A216 PolarHBondContact O-N 2.82Å; A216-D224 HydrophobicContact CB-CB 3.98Å |
| 217 | Q | 87.1 | Confident | 90.2 | Very high | 110 Ų | 110 | 73.8 Ų | 73.8 | 51% | 0.514 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 128 | 176.4 | -177.6 | 176.9 | -4.1 | 0 | 0 | 109 | G197 S199 | G197-Q217 PolarHBondContact O-NE2 3.14Å; G197-Q217 VanDerWaalsContact O-NE2 3.07Å; S199-Q217 PolarHBondContact OG-OE1 3.38Å; S199-Q217 VanDerWaalsContact OG-OE1 3.04Å |
| 218 | D | 79.4 | Confident | 90.3 | Very high | 60 Ų | 60 | 72.8 Ų | 72.8 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | trans | -127.1 | 148.3 | 171.8 | -157.3 | -24.5 | 0 | 0 | 0 | 109 | G197 D220 S222 | G197-D218 WeakPolarHBondContact CA-O 3.32Å; G197-D218 PolarHBondContact N-O 3.43Å; D218-D220 PolarHBondContact OD1-N 3.04Å; D218-S222 WeakPolarHBondContact OD2-CB 3.44Å; D218-S222 PolarHBondContact OD2-OG 3.06Å | ||
| 219 | Q | 72.5 | Confident | 90.5 | Very high | 160 Ų | 160 | 72.3 Ų | 72.3 | 75% | 0.748 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -74.2 | -36.8 | 179.2 | -77.7 | -172.6 | -13.7 | 0 | 0 | 111.4 | G197 | G197-Q219 PolarHBondContact N-O 3.31Š|
| 220 | D | 73.8 | Confident | 90.6 | Very high | 121 Ų | 121 | 67.7 Ų | 67.7 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -96.5 | 149.5 | 175.2 | -59.1 | -37.2 | 0 | 0 | 0 | 108.6 | D218 S222 | D218-D220 PolarHBondContact OD1-N 3.04Å; D220-S222 PolarHBondContact O-N 2.72Å |
| 221 | Q | 65.3 | Low | 90.6 | Very high | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -60.5 | 67 | 178.3 | -59.2 | -151.3 | -8.4 | 0 | 0 | 114.6 | R193 D196 | R193-Q221 VanDerWaalsContact NH2-OE1 3.09Å; D196-Q221 HydrophobicContact CB-CG 4.46Å; D196-Q221 WeakPolarHBondContact OD1-CG 3.22Å; D196-Q221 PolarHBondContact OD1-N 2.6Å; D196-Q221 VanDerWaalsContact OD1-N 3.16Å; D196-Q221 WeakPolarHBondContact OD2-CG 3.36Å; D196-Q221 PolarHBondContact OD2-NE2 2.96Å |
| 222 | S | 79.2 | Confident | 90.6 | Very high | 49 Ų | 49 | 64 Ų | 64 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | trans | -96.8 | 166 | -174.5 | -166.1 | 0 | 0 | 0 | 0 | 110.7 | D218 D220 | D218-S222 WeakPolarHBondContact OD2-CB 3.44Å; D218-S222 PolarHBondContact OD2-OG 3.06Å; D220-S222 PolarHBondContact O-N 2.72Å | ||
| 223 | Y | 90.6 | Very high | 90.6 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.7 | 171.7 | -79 | -85.2 | 0 | 0 | 0 | 109 | L191 M192 R193 H250 | L191-Y223 HydrophobicContact CD1-CD1 3.99Å; L191-Y223 HydrophobicContact CD1-CG 4.43Å; L191-Y223 HydrophobicContact CD2-CD1 4.21Å; L191-Y223 HydrophobicContact CG-CD1 3.96Å; M192-Y223 WeakPolarHBondContact O-CA 3.28Å; R193-Y223 HydrophobicContact CB-CD1 3.96Å; R193-Y223 HydrophobicContact CB-CE1 3.72Å; R193-Y223 HydrophobicContact CG-CE1 4.4Å; Y223-H250 HydrophobicContact CE1-CB 4.27Å; Y223-H250 AromaticContact CE1-CD2 3.56Å; Y223-H250 AromaticContact CE1-CG 3.75Å; Y223-H250 AromaticContact CE1-NE2 3.83Å |
| 224 | D | 93.5 | Very high | 90.6 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 163.4 | 175.2 | -160.1 | 4.9 | 0 | 0 | 0 | 111.1 | M192 A216 | M192-D224 PolarHBondContact N-O 3.23Å; M192-D224 PolarHBondContact O-N 3.07Å; A216-D224 HydrophobicContact CB-CB 3.98Å |
| 225 | Y | 95.3 | Very high | 90.7 | Very high | 94 Ų | 94 | 68.5 Ų | 68.5 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.9 | -178.1 | -94.9 | -83.3 | 0 | 0 | 0 | 112.2 | N189 V190 L191 Y257 | N189-Y225 HydrophobicContact CB-CD1 3.99Å; N189-Y225 HydrophobicContact CB-CE1 3.86Å; V190-Y225 WeakPolarHBondContact O-CA 3.44Å; L191-Y225 HydrophobicContact CB-CE1 4.05Å; L191-Y225 HydrophobicContact CB-CE2 4.25Å; L191-Y225 HydrophobicContact CD1-CD2 4.09Å; L191-Y225 HydrophobicContact CD1-CE2 3.83Å; Y225-Y257 WeakPolarHBondContact CE1-O 3.45Å; Y225-Y257 WeakPolarHBondContact OH-CA 3.34Å; Y225-Y257 PolarHBondContact OH-O 3.06Å |
| 226 | A | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 103 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | V190 M192 A202 A214 | V190-A226 PolarHBondContact N-O 2.89Å; V190-A226 PolarHBondContact O-N 2.84Å; M192-A226 HydrophobicContact SD-CB 3.7Å; A202-A226 HydrophobicContact CB-CB 3.68Å; A214-A226 HydrophobicContact CB-CB 3.9Å |
| 227 | S | 98.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.4 | -174.6 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | Y188 N189 A214 | Y188-S227 VanDerWaalsContact O-CA 3.28Å; Y188-S227 WeakPolarHBondContact O-CA 3.27Å; Y188-S227 WeakPolarHBondContact O-CB 3.5Å; N189-S227 WeakPolarHBondContact CA-OG 3.43Å; N189-S227 WeakPolarHBondContact OD1-CB 3.4Å; N189-S227 PolarHBondContact OD1-OG 2.91Å; A214-S227 VanDerWaalsContact CB-N 3.33Å |
| 228 | N | 98.8 | Very high | 91.9 | Very high | 63 Ų | 63 | 64.2 Ų | 64.2 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 169.9 | 173.1 | -148.2 | -28.4 | 0 | 0 | 0 | 110.6 | Y188 A212 S213 A214 | Y188-N228 WeakPolarHBondContact CD1-O 3.25Å; Y188-N228 HydrophobicContact CE1-CB 3.75Å; Y188-N228 HydrophobicContact CE2-CB 4.14Å; Y188-N228 VanDerWaalsContact CZ-CB 3.44Å; Y188-N228 PolarHBondContact N-O 2.83Å; Y188-N228 PolarHBondContact O-N 2.98Å; Y188-N228 WeakPolarHBondContact OH-CB 3.48Å; A212-N228 HydrophobicContact CB-CB 4.43Å; S213-N228 PolarHBondContact O-ND2 2.55Å; A214-N228 HydrophobicContact CB-CB 4.32Å |
| 229 | S | 98.8 | Very high | 92.8 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.8 | 174 | 66.2 | 0 | 0 | 0 | 0 | 111 | F186 | F186-S229 CarbonylContact O-C 3.51Å; F186-S229 WeakPolarHBondContact O-CA 3.45Å; F186-S229 WeakPolarHBondContact O-CB 3.17Å |
| 230 | V | 98.8 | Very high | 94 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 147.1 | -178.9 | 67.6 | 0 | 0 | 0 | 0 | 111 | F186 L204 A212 L232 | F186-V230 HydrophobicContact CB-CG1 4.12Å; F186-V230 HydrophobicContact CD2-CG1 4.47Å; F186-V230 PolarHBondContact N-O 2.98Å; F186-V230 PolarHBondContact O-N 3.18Å; L204-V230 HydrophobicContact CD1-CG1 3.77Å; L204-V230 HydrophobicContact CD2-CG1 3.93Å; L204-V230 HydrophobicContact CG-CG1 4.45Å; A212-V230 HydrophobicContact CB-CB 4.12Å; A212-V230 HydrophobicContact CB-CG1 4.47Å; V230-L232 HydrophobicContact CG1-CD1 3.92Å; V230-L232 HydrophobicContact CG1-CG 3.95Å; V230-L232 HydrophobicContact CG2-CD1 4.46Å; V230-L232 HydrophobicContact CG2-CD2 3.68Å; V230-L232 HydrophobicContact CG2-CG 3.82Å |
| 231 | I | 98.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 54% | 0.538 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.4 | 166.9 | -62.1 | 173.9 | 0 | 0 | 0 | 107.7 | T183 Y184 F185 L265 | T183-I231 HydrophobicContact CG2-CG2 3.42Å; T183-I231 VanDerWaalsContact CG2-CG2 3.42Å; Y184-I231 CarbonylContact O-C 3.56Å; Y184-I231 VanDerWaalsContact O-CA 3.27Å; Y184-I231 WeakPolarHBondContact O-CA 3.43Å; F185-I231 HydrophobicContact CD2-CG1 3.98Å; I231-L265 HydrophobicContact CD1-CD1 4.23Å; I231-L265 HydrophobicContact CG1-CD1 4.33Å; I231-L265 HydrophobicContact CG2-CD1 4.04Å |
| 232 | L | 98.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.7 | -177.9 | -63.9 | 175.3 | 0 | 0 | 0 | 110.4 | T183 Y184 F186 L204 R211 V230 L234 | T183-L232 WeakPolarHBondContact CA-O 3.14Å; Y184-L232 PolarHBondContact N-O 3.24Å; Y184-L232 PolarHBondContact O-N 3.18Å; F186-L232 HydrophobicContact CD2-CD1 4.42Å; L204-L232 HydrophobicContact CD2-CD1 3.85Å; R211-L232 HydrophobicContact CB-CD1 4.08Å; R211-L232 HydrophobicContact CB-CD2 4.12Å; R211-L232 HydrophobicContact CG-CD1 4.08Å; R211-L232 HydrophobicContact CG-CD2 4.29Å; V230-L232 HydrophobicContact CG1-CD1 3.92Å; V230-L232 HydrophobicContact CG1-CG 3.95Å; V230-L232 HydrophobicContact CG2-CD1 4.46Å; V230-L232 HydrophobicContact CG2-CD2 3.68Å; V230-L232 HydrophobicContact CG2-CG 3.82Å; L232-L234 HydrophobicContact CB-CD2 4.13Å |
| 233 | H | 98.7 | Very high | 97.6 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.4 | 158.2 | -179.5 | -83.5 | 0 | 0 | 0 | 109.1 | G182 K206 D235 D268 | G182-H233 CarbonylContact O-C 3.12Å; G182-H233 WeakPolarHBondContact O-CA 3.34Å; K206-H233 PolarHBondContact NZ-O 3.36Å; H233-D235 IonicContact CE1-OD1 2.97Å; H233-D268 IonicContact CD2-OD1 2.78Å; H233-D268 IonicContact CD2-OD2 3.66Å; H233-D268 IonicContact CE1-OD2 3.35Å; H233-D268 IonicContact NE2-OD1 3.57Å; H233-D268 PolarHBondContact NE2-OD1 3.39Å; H233-D268 IonicContact NE2-OD2 3.79Å; H233-D268 PolarHBondContact NE2-OD2 3.08Å |
| 234 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.3 | 180 | -59.2 | -176.7 | 0 | 0 | 0 | 110.2 | F176 C178 P181 G182 Y184 F186 K206 L232 D238 V240 | F176-L234 HydrophobicContact CD1-CD1 4.26Å; F176-L234 HydrophobicContact CE1-CD1 3.77Å; C178-L234 HydrophobicContact CB-CB 3.98Å; C178-L234 HydrophobicContact CB-CD1 4.15Å; P181-L234 VanDerWaalsContact CA-O 3.26Å; P181-L234 WeakPolarHBondContact CA-O 3.4Å; G182-L234 PolarHBondContact N-O 3.22Å; G182-L234 PolarHBondContact O-N 3.38Å; Y184-L234 HydrophobicContact CD2-CB 3.95Å; Y184-L234 HydrophobicContact CD2-CD1 3.73Å; Y184-L234 HydrophobicContact CD2-CG 3.88Å; Y184-L234 HydrophobicContact CE2-CB 4.12Å; Y184-L234 HydrophobicContact CE2-CD1 4.24Å; Y184-L234 HydrophobicContact CE2-CG 4.48Å; Y184-L234 HydrophobicContact CG-CD1 3.94Å; Y184-L234 HydrophobicContact CG-CG 4.45Å; F186-L234 HydrophobicContact CE2-CD1 3.82Å; F186-L234 HydrophobicContact CZ-CD1 3.66Å; K206-L234 HydrophobicContact CD-CD2 3.72Å; K206-L234 HydrophobicContact CG-CD2 4.16Å; L232-L234 HydrophobicContact CB-CD2 4.13Å; L234-D238 WeakPolarHBondContact CA-OD2 3.38Å; L234-D238 HydrophobicContact CB-CB 4.26Å; L234-D238 HydrophobicContact CD2-CB 4.18Å; L234-V240 HydrophobicContact CD1-CG2 3.92Å; L234-V240 HydrophobicContact CD2-CG2 3.82Å |
| 235 | D | 98.7 | Very high | 97.6 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | trans | -89.6 | 159.2 | 167.6 | -68.2 | -51.5 | 0 | 0 | 0 | 110.4 | C178 H233 G237 D238 | C178-D235 WeakPolarHBondContact CB-O 3.42Å; C178-D235 PolarHBondContact SG-O 2.97Å; H233-D235 IonicContact CE1-OD1 2.97Å; D235-G237 PolarHBondContact O-N 3.49Å; D235-D238 PolarHBondContact N-OD2 3.02Å; D235-D238 VanDerWaalsContact O-CB 3.3Å; D235-D238 WeakPolarHBondContact O-CB 3.12Å; D235-D238 PolarHBondContact O-N 3.45Å | ||
| 236 | A | 98 | Very high | 97.1 | Very high | 63 Ų | 63 | 42.3 Ų | 42.3 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 128.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P181 | P181-A236 HydrophobicContact CG-CB 4.08Š|
| 237 | G | 98.4 | Very high | 96.8 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -13.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C178 D235 E239 | C178-G237 PolarHBondContact O-N 2.68Å; D235-G237 PolarHBondContact O-N 3.49Å; G237-E239 PolarHBondContact O-N 3.29Å |
| 238 | D | 98.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -61.5 | 136.3 | 175.4 | -77.3 | -14.5 | 0 | 0 | 0 | 111.2 | T177 C178 K206 N207 L234 D235 | T177-D238 WeakPolarHBondContact CA-O 3.35Å; C178-D238 HydrophobicContact CB-CB 4.16Å; C178-D238 WeakPolarHBondContact CB-O 3.07Å; C178-D238 PolarHBondContact N-O 3.43Å; K206-D238 VanDerWaalsContact CE-CG 3.46Å; K206-D238 WeakPolarHBondContact CE-OD2 3.33Å; K206-D238 IonicContact NZ-OD2 2.69Å; K206-D238 PolarHBondContact NZ-OD2 3.37Å; N207-D238 PolarHBondContact ND2-OD1 3.36Å; N207-D238 WeakPolarHBondContact OD1-CA 3.29Å; L234-D238 WeakPolarHBondContact CA-OD2 3.38Å; L234-D238 HydrophobicContact CB-CB 4.26Å; L234-D238 HydrophobicContact CD2-CB 4.18Å; D235-D238 PolarHBondContact N-OD2 3.02Å; D235-D238 VanDerWaalsContact O-CB 3.3Å; D235-D238 WeakPolarHBondContact O-CB 3.12Å; D235-D238 PolarHBondContact O-N 3.45Å | ||
| 239 | E | 98.8 | Very high | 96.3 | Very high | 87 Ų | 87 | 41 Ų | 41 | 41% | 0.407 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.5 | 179.1 | -66.6 | -172.9 | 148.6 | 0 | 0 | 110.8 | T175 F176 K206 N207 G237 | T175-E239 HydrophobicContact CG2-CB 3.78Å; T175-E239 HydrophobicContact CG2-CG 3.96Å; F176-E239 CarbonylContact O-C 3.14Å; F176-E239 WeakPolarHBondContact O-CA 3.06Å; K206-E239 VanDerWaalsContact CA-O 3.31Å; K206-E239 WeakPolarHBondContact CA-O 3.36Å; N207-E239 PolarHBondContact N-O 3.32Å; N207-E239 PolarHBondContact OD1-N 3.43Å; G237-E239 PolarHBondContact O-N 3.29Å |
| 240 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.2 | 175.4 | -175.9 | 0 | 0 | 0 | 0 | 110 | F176 F186 L204 I205 K206 L234 F260 | F176-V240 HydrophobicContact CB-CB 4.36Å; F176-V240 WeakPolarHBondContact CB-O 3.17Å; F176-V240 HydrophobicContact CD1-CB 4.38Å; F176-V240 PolarHBondContact N-O 2.89Å; F176-V240 PolarHBondContact O-N 3.14Å; F186-V240 HydrophobicContact CD1-CG1 4.28Å; F186-V240 HydrophobicContact CD2-CG1 4.48Å; F186-V240 HydrophobicContact CE1-CB 4.34Å; F186-V240 HydrophobicContact CE1-CG1 4.19Å; F186-V240 HydrophobicContact CE2-CG1 4.4Å; F186-V240 HydrophobicContact CE2-CG2 4.24Å; F186-V240 HydrophobicContact CG-CG1 4.43Å; F186-V240 HydrophobicContact CZ-CB 4.23Å; F186-V240 HydrophobicContact CZ-CG1 4.27Å; F186-V240 HydrophobicContact CZ-CG2 4.08Å; L204-V240 HydrophobicContact CD1-CG1 4.05Å; L204-V240 HydrophobicContact CD2-CG1 3.67Å; L204-V240 HydrophobicContact CG-CG1 3.8Å; I205-V240 VanDerWaalsContact O-CA 3.25Å; I205-V240 WeakPolarHBondContact O-CA 3.38Å; K206-V240 HydrophobicContact CG-CG2 4.48Å; L234-V240 HydrophobicContact CD1-CG2 3.92Å; L234-V240 HydrophobicContact CD2-CG2 3.82Å; V240-F260 HydrophobicContact CG1-CZ 4.21Å |
| 241 | F | 98.7 | Very high | 96 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 166.1 | 179 | 55.7 | -94.7 | 0 | 0 | 0 | 111.2 | I155 T175 I205 K243 | I155-F241 HydrophobicContact CB-CD2 4.35Å; I155-F241 HydrophobicContact CD1-CD1 4.45Å; I155-F241 HydrophobicContact CD1-CD2 3.95Å; I155-F241 HydrophobicContact CD1-CE1 4.4Å; I155-F241 HydrophobicContact CD1-CE2 3.89Å; I155-F241 HydrophobicContact CD1-CG 4.23Å; I155-F241 HydrophobicContact CD1-CZ 4.12Å; I155-F241 HydrophobicContact CG1-CD2 3.73Å; I155-F241 HydrophobicContact CG1-CE2 3.75Å; I155-F241 HydrophobicContact CG1-CG 4.42Å; I155-F241 HydrophobicContact CG1-CZ 4.45Å; I155-F241 HydrophobicContact CG2-CB 3.94Å; I155-F241 HydrophobicContact CG2-CD2 3.92Å; I155-F241 HydrophobicContact CG2-CG 4.12Å; T175-F241 HydrophobicContact CG2-CD1 4.28Å; I205-F241 HydrophobicContact CB-CD2 3.95Å; I205-F241 HydrophobicContact CB-CE1 4.3Å; I205-F241 HydrophobicContact CB-CE2 3.58Å; I205-F241 HydrophobicContact CB-CG 4.47Å; I205-F241 HydrophobicContact CB-CZ 3.78Å; I205-F241 HydrophobicContact CG1-CD2 4.14Å; I205-F241 HydrophobicContact CG1-CE2 3.7Å; I205-F241 HydrophobicContact CG1-CZ 4.3Å; I205-F241 HydrophobicContact CG2-CE1 4.1Å; I205-F241 HydrophobicContact CG2-CE2 3.85Å; I205-F241 HydrophobicContact CG2-CZ 3.54Å; I205-F241 PolarHBondContact N-O 3.21Å; I205-F241 PolarHBondContact O-N 3.15Å; I205-F241 VanDerWaalsContact O-N 3.12Å; F241-K243 HydrophobicContact CE2-CB 4.38Å |
| 242 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.6 | 173.2 | -52.8 | -54.3 | 0 | 0 | 0 | 108.6 | L156 F158 Y188 V190 A202 D203 L204 L244 F260 | L156-I242 HydrophobicContact CB-CB 4.42Å; L156-I242 PolarHBondContact N-O 3.16Å; F158-I242 HydrophobicContact CE2-CB 3.99Å; F158-I242 HydrophobicContact CE2-CG1 3.84Å; F158-I242 HydrophobicContact CZ-CB 4.5Å; F158-I242 HydrophobicContact CZ-CG1 4.29Å; Y188-I242 HydrophobicContact CD1-CD1 3.48Å; Y188-I242 VanDerWaalsContact CD1-CD1 3.48Å; Y188-I242 HydrophobicContact CD2-CD1 4.41Å; Y188-I242 HydrophobicContact CE1-CD1 4.08Å; Y188-I242 HydrophobicContact CG-CD1 3.66Å; Y188-I242 HydrophobicContact CG-CG1 4.3Å; V190-I242 HydrophobicContact CG2-CG2 4.42Å; A202-I242 HydrophobicContact CB-CG2 4.26Å; D203-I242 CarbonylContact O-C 3.55Å; D203-I242 VanDerWaalsContact O-CA 3.29Å; D203-I242 WeakPolarHBondContact O-CA 3.35Å; L204-I242 HydrophobicContact CB-CD1 3.75Å; L204-I242 HydrophobicContact CD1-CD1 4.1Å; L204-I242 HydrophobicContact CG-CD1 4.03Å; I242-L244 HydrophobicContact CG2-CD2 4.44Å; I242-F260 HydrophobicContact CD1-CD2 4.11Å; I242-F260 HydrophobicContact CD1-CE2 3.93Å; I242-F260 HydrophobicContact CD1-CZ 4.22Å; I242-F260 HydrophobicContact CG1-CD1 4.2Å; I242-F260 HydrophobicContact CG1-CD2 4.07Å; I242-F260 HydrophobicContact CG1-CE1 4.37Å; I242-F260 HydrophobicContact CG1-CE2 4.25Å; I242-F260 HydrophobicContact CG1-CG 4.06Å; I242-F260 HydrophobicContact CG1-CZ 4.4Å |
| 243 | K | 96.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.9 | 169.6 | -173.2 | -179.8 | 176.6 | -170.9 | 0 | 108.4 | D203 I205 F241 | D203-K243 PolarHBondContact N-O 2.86Å; D203-K243 PolarHBondContact O-N 2.83Å; I205-K243 HydrophobicContact CD1-CB 4.43Å; I205-K243 HydrophobicContact CG1-CB 3.83Å; F241-K243 HydrophobicContact CE2-CB 4.38Å |
| 244 | L | 93.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 150.4 | 172 | -61.5 | -179.9 | 0 | 0 | 0 | 110 | G152 D154 L156 V190 M192 W201 A202 I242 A249 | G152-L244 CarbonylContact C-O 3.52Å; G152-L244 CarbonylContact O-C 3.49Å; D154-L244 PolarHBondContact O-N 3.48Å; L156-L244 HydrophobicContact CB-CD1 4.32Å; L156-L244 HydrophobicContact CB-CG 4.13Å; L156-L244 HydrophobicContact CD1-CD1 3.98Å; L156-L244 HydrophobicContact CD2-CD1 4.08Å; L156-L244 HydrophobicContact CD2-CD2 4.07Å; L156-L244 HydrophobicContact CD2-CG 4.22Å; L156-L244 HydrophobicContact CG-CD1 4.35Å; V190-L244 HydrophobicContact CG1-CD2 4.02Å; M192-L244 HydrophobicContact CE-CB 4.4Å; M192-L244 HydrophobicContact CE-CD1 4.44Å; M192-L244 HydrophobicContact CE-CD2 3.83Å; M192-L244 HydrophobicContact CE-CG 4.42Å; M192-L244 HydrophobicContact SD-CD2 4.05Å; W201-L244 WeakPolarHBondContact O-CA 3.47Å; A202-L244 HydrophobicContact CB-CD2 3.89Å; I242-L244 HydrophobicContact CG2-CD2 4.44Å; L244-A249 HydrophobicContact CD1-CB 3.55Å |
| 245 | D | 89.9 | Confident | 95.5 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 123.6 | 164.6 | -172.6 | 13.2 | 0 | 0 | 0 | 109.2 | G152 M200 W201 | G152-D245 CarbonylContact O-C 3.18Å; G152-D245 WeakPolarHBondContact O-CA 3.34Å; G152-D245 PolarHBondContact O-N 2.81Å; M200-D245 CarbonylContact C-O 3.58Å; W201-D245 HydrophobicContact CB-CB 4.28Å; W201-D245 HydrophobicContact CE3-CB 3.75Å; W201-D245 PolarHBondContact N-O 2.84Å; W201-D245 PolarHBondContact O-N 3.35Å |
| 246 | G | 85.4 | Confident | 95.5 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 74 | 130.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G152 M192 M200 | G152-G246 PolarHBondContact O-N 3.13Å; M192-G246 WeakPolarHBondContact CE-O 3.27Å; M200-G246 WeakPolarHBondContact CB-O 3.19Å; M200-G246 WeakPolarHBondContact CG-O 3.18Å |
| 247 | G | 88.3 | Confident | 95.4 | Very high | 17 Ų | 17 | 44 Ų | 44 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 80 | -165.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G152 R193 | G152-G247 WeakPolarHBondContact CA-O 3.08Å; G152-G247 PolarHBondContact N-O 3.24Å; R193-G247 CarbonylContact O-C 3.53Å; R193-G247 VanDerWaalsContact O-CA 3.24Å; R193-G247 WeakPolarHBondContact O-CA 3.24Å |
| 248 | K | 91.9 | Very high | 95.4 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.1 | -172.9 | -176.8 | 174.3 | -173.7 | 144.4 | 0 | 110.6 | P149 Q150 E151 M192 R193 H250 | P149-K248 HydrophobicContact CB-CD 4.23Å; P149-K248 HydrophobicContact CB-CG 4.31Å; Q150-K248 WeakPolarHBondContact O-CG 3.48Å; E151-K248 WeakPolarHBondContact OE1-CD 3.31Å; E151-K248 WeakPolarHBondContact OE1-CE 3.21Å; E151-K248 IonicContact OE1-NZ 3.11Å; E151-K248 PolarHBondContact OE1-NZ 3.07Å; M192-K248 CarbonylContact C-O 3.6Å; M192-K248 VanDerWaalsContact CA-O 3.27Å; M192-K248 WeakPolarHBondContact CA-O 3.49Å; R193-K248 PolarHBondContact N-O 3.12Å; R193-K248 PolarHBondContact O-N 3.26Å; K248-H250 PolarHBondContact O-CD2 3.4Å; K248-H250 VanDerWaalsContact O-CD2 3.24Å |
| 249 | A | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 148.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L146 P149 Q150 L156 V190 L191 L244 | L146-A249 HydrophobicContact CD2-CB 3.81Å; P149-A249 WeakPolarHBondContact CA-O 3.23Å; P149-A249 WeakPolarHBondContact CB-O 3.32Å; Q150-A249 PolarHBondContact N-O 3.04Å; Q150-A249 PolarHBondContact O-N 2.6Å; L156-A249 HydrophobicContact CD1-CB 3.86Å; L156-A249 HydrophobicContact CD2-CB 3.86Å; V190-A249 HydrophobicContact CG1-CB 3.57Å; L191-A249 CarbonylContact O-C 3.48Å; L191-A249 WeakPolarHBondContact O-CA 3.41Å; L244-A249 HydrophobicContact CD1-CB 3.55Å |
| 250 | H | 95.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | trans | -130.3 | 129.1 | -175.8 | -72.2 | -95.5 | 0 | 0 | 0 | 112.7 | L191 Y223 K248 S258 | L191-H250 HydrophobicContact CD2-CB 4.14Å; L191-H250 HydrophobicContact CG-CB 4.34Å; L191-H250 PolarHBondContact O-N 3.16Å; Y223-H250 HydrophobicContact CE1-CB 4.27Å; Y223-H250 AromaticContact CE1-CD2 3.56Å; Y223-H250 AromaticContact CE1-CG 3.75Å; Y223-H250 AromaticContact CE1-NE2 3.83Å; K248-H250 PolarHBondContact O-CD2 3.4Å; K248-H250 VanDerWaalsContact O-CD2 3.24Å; H250-S258 WeakPolarHBondContact O-CB 3.28Å; H250-S258 PolarHBondContact O-N 3.36Å; H250-S258 PolarHBondContact O-OG 3.45Å | ||
| 251 | G | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -77.9 | -22.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L146 N255 K256 Y257 | L146-G251 WeakPolarHBondContact O-CA 3.07Å; G251-N255 CarbonylContact O-C 3.52Å; G251-N255 WeakPolarHBondContact O-CA 2.97Å; G251-N255 PolarHBondContact O-N 3.4Å; G251-K256 PolarHBondContact O-N 3.14Å; G251-Y257 WeakPolarHBondContact O-CD2 3.29Å; G251-Y257 PolarHBondContact O-N 3.3Å; G251-Y257 VanDerWaalsContact O-N 3.16Å | ||
| 252 | G | 94.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | trans | 65.7 | -171.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S254 | G252-S254 VanDerWaalsContact C-N 3.32Å; G252-S254 PolarHBondContact O-N 3.02Å | ||
| 253 | N | 95.2 | Very high | 95.5 | Very high | 145 Ų | 145 | 41.6 Ų | 41.6 | 78% | 0.775 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.5 | -176.9 | 62.4 | -18.7 | 0 | 0 | 0 | 114.4 | ||
| 254 | S | 95.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2.1 | -177.9 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | G252 K256 | G252-S254 VanDerWaalsContact C-N 3.32Å; G252-S254 PolarHBondContact O-N 3.02Å; S254-K256 WeakPolarHBondContact O-CG 3.47Å; S254-K256 PolarHBondContact O-N 3.38Å; S254-K256 PolarHBondContact O-NZ 3.17Å; S254-K256 PolarHBondContact OG-N 3.47Å |
| 255 | N | 98 | Very high | 95.8 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 64.6 | 8.9 | -171.1 | -43.7 | -30.5 | 0 | 0 | 0 | 114.4 | G145 L146 D160 G251 | G145-N255 CarbonylContact C-O 3.5Å; G145-N255 WeakPolarHBondContact CA-O 3.38Å; L146-N255 PolarHBondContact N-O 3.32Å; L146-N255 WeakPolarHBondContact O-CA 3.37Å; L146-N255 WeakPolarHBondContact O-CB 3.35Å; D160-N255 HydrophobicContact CB-CB 4.06Å; D160-N255 WeakPolarHBondContact OD2-CB 2.94Å; D160-N255 PolarHBondContact OD2-ND2 3.3Å; G251-N255 CarbonylContact O-C 3.52Å; G251-N255 WeakPolarHBondContact O-CA 2.97Å; G251-N255 PolarHBondContact O-N 3.4Å |
| 256 | K | 98.1 | Very high | 96 | Very high | 77 Ų | 77 | 45.6 Ų | 45.6 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | trans | -107.2 | 3.9 | -171.7 | -55.3 | -53.7 | 175.8 | -75.6 | 0 | 115 | Y143 D160 G251 S254 T259 | Y143-K256 HydrophobicContact CE1-CD 4.44Å; D160-K256 IonicContact OD2-NZ 3.5Å; D160-K256 PolarHBondContact OD2-NZ 3.25Å; G251-K256 PolarHBondContact O-N 3.14Å; S254-K256 WeakPolarHBondContact O-CG 3.47Å; S254-K256 PolarHBondContact O-N 3.38Å; S254-K256 PolarHBondContact O-NZ 3.17Å; S254-K256 PolarHBondContact OG-N 3.47Å; K256-T259 VanDerWaalsContact O-CG2 3.32Å; K256-T259 WeakPolarHBondContact O-CG2 3.25Å | ||
| 257 | Y | 97.8 | Very high | 96.6 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 42% | 0.424 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.1 | -44 | 176.8 | -75.3 | -96.6 | 0 | 0 | 0 | 111.6 | L191 Y225 G251 | L191-Y257 HydrophobicContact CD2-CD1 3.88Å; L191-Y257 HydrophobicContact CD2-CG 4.02Å; Y225-Y257 WeakPolarHBondContact CE1-O 3.45Å; Y225-Y257 WeakPolarHBondContact OH-CA 3.34Å; Y225-Y257 PolarHBondContact OH-O 3.06Å; G251-Y257 WeakPolarHBondContact O-CD2 3.29Å; G251-Y257 PolarHBondContact O-N 3.3Å; G251-Y257 VanDerWaalsContact O-N 3.16Å |
| 258 | S | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -99.1 | 123.9 | 171 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | G145 L146 N189 L191 H250 | G145-S258 WeakPolarHBondContact CA-O 3.37Å; L146-S258 PolarHBondContact N-O 3.38Å; N189-S258 CarbonylContact O-C 3.55Å; N189-S258 VanDerWaalsContact O-CA 3.25Å; N189-S258 WeakPolarHBondContact O-CA 3.31Å; L191-S258 PolarHBondContact N-OG 3.09Å; L191-S258 PolarHBondContact O-OG 3.4Å; H250-S258 WeakPolarHBondContact O-CB 3.28Å; H250-S258 PolarHBondContact O-N 3.36Å; H250-S258 PolarHBondContact O-OG 3.45Å |
| 259 | T | 98.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.9 | -172.6 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | Y143 A144 F158 Y188 N189 K256 | Y143-T259 HydrophobicContact CE2-CG2 3.68Å; Y143-T259 WeakPolarHBondContact OH-CG2 3.46Å; A144-T259 WeakPolarHBondContact O-CA 3.4Å; F158-T259 VanDerWaalsContact CE1-C 3.48Å; Y188-T259 WeakPolarHBondContact CA-O 3.39Å; N189-T259 PolarHBondContact N-O 2.78Å; N189-T259 PolarHBondContact O-N 2.8Å; K256-T259 VanDerWaalsContact O-CG2 3.32Å; K256-T259 WeakPolarHBondContact O-CG2 3.25Å |
| 260 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.3 | 170 | -176.9 | -145.9 | 0 | 0 | 0 | 109.8 | F142 A144 F158 Y169 F186 I187 L204 V240 I242 | F142-F260 HydrophobicContact CE2-CB 4.48Å; F142-F260 AromaticContact CE2-CD1 3.57Å; F142-F260 HydrophobicContact CE2-CD1 3.57Å; F142-F260 HydrophobicContact CE2-CD2 4.43Å; F142-F260 AromaticContact CE2-CE1 3.82Å; F142-F260 HydrophobicContact CE2-CE1 3.82Å; F142-F260 AromaticContact CE2-CG 3.89Å; F142-F260 HydrophobicContact CE2-CG 3.89Å; F142-F260 HydrophobicContact CE2-CZ 4.35Å; F142-F260 AromaticContact CZ-CD1 3.8Å; F142-F260 HydrophobicContact CZ-CD1 3.8Å; F142-F260 HydrophobicContact CZ-CD2 4.24Å; F142-F260 AromaticContact CZ-CE1 3.58Å; F142-F260 HydrophobicContact CZ-CE1 3.58Å; F142-F260 HydrophobicContact CZ-CE2 4.04Å; F142-F260 HydrophobicContact CZ-CG 4.12Å; F142-F260 AromaticContact CZ-CZ 3.71Å; F142-F260 HydrophobicContact CZ-CZ 3.71Å; A144-F260 PolarHBondContact N-O 3.4Å; A144-F260 PolarHBondContact O-N 3.05Å; F158-F260 HydrophobicContact CD1-CB 4.17Å; F158-F260 HydrophobicContact CD2-CB 3.59Å; F158-F260 HydrophobicContact CD2-CD1 4.21Å; F158-F260 HydrophobicContact CD2-CG 4.33Å; F158-F260 HydrophobicContact CE1-CB 4.1Å; F158-F260 HydrophobicContact CE2-CB 3.52Å; F158-F260 HydrophobicContact CE2-CD1 4.28Å; F158-F260 HydrophobicContact CE2-CG 4.17Å; F158-F260 HydrophobicContact CG-CB 3.91Å; F158-F260 HydrophobicContact CZ-CB 3.78Å; Y169-F260 AromaticContact CE2-CD1 3.82Å; Y169-F260 HydrophobicContact CE2-CD1 3.82Å; Y169-F260 HydrophobicContact CE2-CE1 4.07Å; F186-F260 HydrophobicContact CB-CE2 4.21Å; F186-F260 HydrophobicContact CD1-CE2 4Å; F186-F260 AromaticContact CD1-CZ 3.92Å; F186-F260 HydrophobicContact CD1-CZ 3.92Å; I187-F260 WeakPolarHBondContact O-CD2 3.4Å; L204-F260 HydrophobicContact CD1-CE2 4.1Å; L204-F260 HydrophobicContact CD1-CZ 4.44Å; V240-F260 HydrophobicContact CG1-CZ 4.21Å; I242-F260 HydrophobicContact CD1-CD2 4.11Å; I242-F260 HydrophobicContact CD1-CE2 3.93Å; I242-F260 HydrophobicContact CD1-CZ 4.22Å; I242-F260 HydrophobicContact CG1-CD1 4.2Å; I242-F260 HydrophobicContact CG1-CD2 4.07Å; I242-F260 HydrophobicContact CG1-CE1 4.37Å; I242-F260 HydrophobicContact CG1-CE2 4.25Å; I242-F260 HydrophobicContact CG1-CG 4.06Å; I242-F260 HydrophobicContact CG1-CZ 4.4Å |
| 261 | S | 98.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 159.4 | 177.7 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | F142 F186 I187 | F142-S261 VanDerWaalsContact O-CA 3.26Å; F142-S261 WeakPolarHBondContact O-CA 3.39Å; F142-S261 VanDerWaalsContact O-CB 3.23Å; F142-S261 WeakPolarHBondContact O-CB 3.22Å; F186-S261 WeakPolarHBondContact CA-O 3.47Å; I187-S261 WeakPolarHBondContact CG2-OG 3.3Å; I187-S261 PolarHBondContact N-O 2.95Å; I187-S261 PolarHBondContact O-N 3.38Å |
| 262 | G | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 163.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | A141 F142 F185 | A141-G262 CarbonylContact C-O 3.55Å; A141-G262 WeakPolarHBondContact CA-O 3.49Å; F142-G262 WeakPolarHBondContact CD1-O 3.12Å; F142-G262 PolarHBondContact N-O 2.96Å; F142-G262 PolarHBondContact O-N 3.01Å; F142-G262 VanDerWaalsContact O-N 3.15Å; F185-G262 CarbonylContact O-C 3.5Å; F185-G262 WeakPolarHBondContact O-CA 3.3Å |
| 263 | F | 98.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 156.4 | -179.5 | 56.7 | -88.6 | 0 | 0 | 0 | 111.2 | V140 A141 Y184 F185 L265 | V140-F263 VanDerWaalsContact O-CA 3.23Å; V140-F263 WeakPolarHBondContact O-CA 3.26Å; V140-F263 WeakPolarHBondContact O-CB 3.38Å; A141-F263 HydrophobicContact CB-CB 3.82Å; Y184-F263 WeakPolarHBondContact CA-O 3.49Å; F185-F263 HydrophobicContact CB-CE1 4.2Å; F185-F263 HydrophobicContact CB-CE2 4.27Å; F185-F263 HydrophobicContact CB-CZ 4.01Å; F185-F263 HydrophobicContact CD1-CD1 4.06Å; F185-F263 AromaticContact CD1-CE1 3.36Å; F185-F263 HydrophobicContact CD1-CE1 3.36Å; F185-F263 AromaticContact CD1-CZ 3.78Å; F185-F263 HydrophobicContact CD1-CZ 3.78Å; F185-F263 HydrophobicContact CE1-CE1 4.07Å; F185-F263 HydrophobicContact CG-CE1 4.11Å; F185-F263 HydrophobicContact CG-CZ 4.11Å; F185-F263 PolarHBondContact N-O 3.22Å; F185-F263 PolarHBondContact O-N 3.44Å; F263-L265 HydrophobicContact CD2-CD2 4.26Å; F263-L265 HydrophobicContact CE2-CD2 3.56Å; F263-L265 HydrophobicContact CE2-CG 4.35Å; F263-L265 HydrophobicContact CZ-CD2 4.41Å |
| 264 | I | 98.5 | Very high | 97.6 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132 | 173.1 | -165.2 | 171.5 | 0 | 0 | 0 | 109.8 | P138 V140 I180 Y184 A267 | P138-I264 HydrophobicContact CB-CD1 4.25Å; V140-I264 HydrophobicContact CB-CB 4.13Å; V140-I264 HydrophobicContact CB-CG2 3.94Å; V140-I264 HydrophobicContact CG2-CG2 4.4Å; V140-I264 PolarHBondContact O-N 3.33Å; I180-I264 HydrophobicContact CG2-CD1 4.35Å; Y184-I264 HydrophobicContact CD1-CB 3.91Å; Y184-I264 HydrophobicContact CD1-CG1 4.34Å; Y184-I264 HydrophobicContact CE1-CB 3.55Å; Y184-I264 HydrophobicContact CE1-CD1 4.31Å; Y184-I264 HydrophobicContact CE1-CG1 3.94Å; Y184-I264 HydrophobicContact CE2-CD1 4.28Å; Y184-I264 HydrophobicContact CE2-CG1 4.17Å; I264-A267 HydrophobicContact CD1-CB 3.83Å |
| 265 | L | 97.9 | Very high | 97.8 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 32% | 0.319 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -54.6 | 170.1 | -68 | 169.1 | 0 | 0 | 0 | 109.6 | T183 F185 I231 F263 | T183-L265 HydrophobicContact CG2-CD1 4.11Å; T183-L265 WeakPolarHBondContact O-CB 3.34Å; T183-L265 PolarHBondContact O-N 2.87Å; F185-L265 HydrophobicContact CB-CD1 4.21Å; F185-L265 HydrophobicContact CB-CG 4.32Å; I231-L265 HydrophobicContact CD1-CD1 4.23Å; I231-L265 HydrophobicContact CG1-CD1 4.33Å; I231-L265 HydrophobicContact CG2-CD1 4.04Å; F263-L265 HydrophobicContact CD2-CD2 4.26Å; F263-L265 HydrophobicContact CE2-CD2 3.56Å; F263-L265 HydrophobicContact CE2-CG 4.35Å; F263-L265 HydrophobicContact CZ-CD2 4.41Å |
| 266 | Y | 95.4 | Very high | 97.7 | Very high | 166 Ų | 166 | 57.5 Ų | 57.5 | 65% | 0.651 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134.8 | -178.2 | -46.3 | -66.3 | 0 | 0 | 0 | 109 | G182 T183 | G182-Y266 CarbonylContact C-O 3.46Å; G182-Y266 VanDerWaalsContact CA-O 3.24Å; G182-Y266 WeakPolarHBondContact CA-O 3.09Å; T183-Y266 PolarHBondContact N-O 3.07Å; T183-Y266 PolarHBondContact O-N 2.91Å |
| 267 | A | 96.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 151.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P138 I180 I264 | P138-A267 HydrophobicContact CB-CB 4.01Å; P138-A267 HydrophobicContact CG-CB 3.6Å; I180-A267 HydrophobicContact CG2-CB 4.04Å; I264-A267 HydrophobicContact CD1-CB 3.83Å |
| 268 | D | 93.9 | Very high | 97.7 | Very high | 150 Ų | 150 | 51.2 Ų | 51.2 | 80% | 0.802 | 26% | 0.259 | S | S | * | . | trans | -71.2 | 0 | 176 | -62.7 | -20.5 | 0 | 0 | 0 | 113.1 | P181 G182 H233 | P181-D268 HydrophobicContact CB-CB 4.37Å; P181-D268 WeakPolarHBondContact CB-OD2 3.45Å; P181-D268 PolarHBondContact O-N 3.46Å; P181-D268 VanDerWaalsContact O-N 3.13Å; G182-D268 WeakPolarHBondContact CA-OD1 3.47Å; G182-D268 PolarHBondContact N-OD2 3.17Å; H233-D268 IonicContact CD2-OD1 2.78Å; H233-D268 IonicContact CD2-OD2 3.66Å; H233-D268 IonicContact CE1-OD2 3.35Å; H233-D268 IonicContact NE2-OD1 3.57Å; H233-D268 PolarHBondContact NE2-OD1 3.39Å; H233-D268 IonicContact NE2-OD2 3.79Å; H233-D268 PolarHBondContact NE2-OD2 3.08Å |
Retrieved 268 of 268 residues in 162.6 ms
(Link to these results)