| 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 | 41.3 | Very low | 39.6 | Very low | 240 Ų | 240 | 155 Ų | 155 | 100% | 1.182 | 80% | 0.801 | S | S | * | * | 0 | 88.9 | 0 | -74.9 | 171.2 | 140.7 | 0 | 0 | 108.3 | |||||
| 2 | A | 41.6 | Very low | 39.8 | Very low | 95 Ų | 95 | 153.7 Ų | 153.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -89.9 | 107.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | I4 | A2-I4 PolarHBondContact O-N 3.29Å; A2-I4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | V | 45.3 | Very low | 39.7 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -74.9 | 94.7 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | P5 | V3-P5 WeakPolarHBondContact O-CD 3.45Š| ||
| 4 | I | 39.8 | Very low | 39.8 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -67.5 | 119.7 | 169.4 | -61.1 | 175.3 | 0 | 0 | 0 | 106.5 | A2 R6 | A2-I4 PolarHBondContact O-N 3.29Å; A2-I4 VanDerWaalsContact O-N 3.1Å; I4-R6 PolarHBondContact O-N 2.98Å; I4-R6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | P | 36.4 | Very low | 39.9 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | trans | -64.8 | 119.1 | 178.7 | 26 | -30.3 | 0 | 0 | 0 | 107.8 | V3 V7 | V3-P5 WeakPolarHBondContact O-CD 3.45Å; P5-V7 PolarHBondContact O-N 3.24Å | ||
| 6 | R | 39.3 | Very low | 39.9 | Very low | 234 Ų | 234 | 139.6 Ų | 139.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -59.3 | 91.2 | 162.5 | -84.1 | 179.3 | 169.4 | 170.2 | -3.5 | 106.9 | I4 L8 | I4-R6 PolarHBondContact O-N 2.98Å; I4-R6 VanDerWaalsContact O-N 3.11Å; R6-L8 PolarHBondContact O-N 2.93Å | ||
| 7 | V | 41.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -69.6 | 91.2 | 166.9 | -168.4 | 0 | 0 | 0 | 0 | 105.1 | P5 F9 | P5-V7 PolarHBondContact O-N 3.24Å; V7-F9 PolarHBondContact O-N 3.44Å | ||
| 8 | L | 35.2 | Very low | 39.4 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | trans | -57.1 | 103.4 | 172.5 | -142.1 | 90.3 | 0 | 0 | 0 | 105.7 | R6 K10 | R6-L8 PolarHBondContact O-N 2.93Å; L8-K10 HydrophobicContact CD2-CG 4.12Å; L8-K10 PolarHBondContact O-N 2.85Å | ||
| 9 | F | 38.4 | Very low | 39.2 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 84.3 | 163.7 | -90.9 | -93 | 0 | 0 | 0 | 106.5 | V7 N11 | V7-F9 PolarHBondContact O-N 3.44Å; F9-N11 PolarHBondContact O-N 3.15Å | ||
| 10 | K | 39 | Very low | 39 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 74% | 0.735 | 77% | 0.765 | S | S | * | * | trans | -66.8 | 92.1 | 161.8 | -77.1 | -173.2 | 175.9 | -178.8 | 0 | 105.2 | L8 V12 | L8-K10 HydrophobicContact CD2-CG 4.12Å; L8-K10 PolarHBondContact O-N 2.85Å; K10-V12 PolarHBondContact O-N 3.48Å | ||
| 11 | N | 37.7 | Very low | 38.8 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 17.1 | 78.5 | 143.3 | -66.7 | -31.9 | 0 | 0 | 0 | 112.8 | F9 A13 | F9-N11 PolarHBondContact O-N 3.15Å; N11-A13 PolarHBondContact O-N 3Å | ||
| 12 | V | 41.8 | Very low | 38.7 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | trans | -78.7 | 67.3 | 152.9 | -174.3 | 0 | 0 | 0 | 0 | 104.5 | K10 | K10-V12 PolarHBondContact O-N 3.48Š| ||
| 13 | A | 39.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | trans | -58.8 | 123.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 104.1 | N11 A15 | N11-A13 PolarHBondContact O-N 3Å; A13-A15 PolarHBondContact O-N 3.38Å | ||
| 14 | P | 40.3 | Very low | 38.2 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -52.4 | 142.2 | 174.3 | 20.1 | -26.7 | 0 | 0 | 0 | 106.6 | V16 | P14-V16 HydrophobicContact CB-CG2 4.37Å; P14-V16 HydrophobicContact CG-CG2 3.98Å; P14-V16 PolarHBondContact O-N 3.23Å | ||
| 15 | A | 40.9 | Very low | 38.5 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -64.9 | 64.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | A13 G17 | A13-A15 PolarHBondContact O-N 3.38Å; A15-G17 PolarHBondContact O-N 3.01Å; A15-G17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | V | 41.4 | Very low | 38.8 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | trans | -56.5 | 119.5 | 161.7 | -175.6 | 0 | 0 | 0 | 0 | 103 | P14 R18 | P14-V16 HydrophobicContact CB-CG2 4.37Å; P14-V16 HydrophobicContact CG-CG2 3.98Å; P14-V16 PolarHBondContact O-N 3.23Å; V16-R18 PolarHBondContact O-N 3.23Å | ||
| 17 | G | 36.7 | Very low | 38.9 | Very low | 50 Ų | 50 | 121.2 Ų | 121.2 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | trans | -41.3 | 141.3 | -160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A15 F19 | A15-G17 PolarHBondContact O-N 3.01Å; A15-G17 VanDerWaalsContact O-N 3.15Å; G17-F19 PolarHBondContact O-N 3.03Å | ||
| 18 | R | 33.6 | Very low | 38.7 | Very low | 239 Ų | 239 | 118.6 Ų | 118.6 | 90% | 0.902 | 68% | 0.676 | S | S | * | * | trans | -33.9 | 100.9 | 156.2 | -76.8 | 174.1 | 173.8 | 172.6 | -2.8 | 106.6 | V16 L20 | V16-R18 PolarHBondContact O-N 3.23Å; R18-L20 PolarHBondContact O-N 3.19Å | ||
| 19 | F | 35.3 | Very low | 38.9 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -58.9 | 92.4 | 156.6 | -97.6 | -98.7 | 0 | 0 | 0 | 101.3 | G17 S21 | G17-F19 PolarHBondContact O-N 3.03Å; F19-S21 PolarHBondContact O-N 3.2Å | ||
| 20 | L | 34.7 | Very low | 38.9 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 63% | 0.634 | 69% | 0.685 | S | S | * | * | trans | -50.1 | 99.7 | 148.7 | -73 | 170.1 | 0 | 0 | 0 | 101.3 | R18 L22 | R18-L20 PolarHBondContact O-N 3.19Å; L20-L22 PolarHBondContact O-N 2.91Å | ||
| 21 | S | 35.9 | Very low | 39 | Very low | 67 Ų | 67 | 120.6 Ų | 120.6 | 47% | 0.469 | 68% | 0.683 | S | S | . | * | trans | -46.8 | 122.3 | 173.5 | 55.2 | 0 | 0 | 0 | 0 | 103.8 | F19 S23 A24 | F19-S21 PolarHBondContact O-N 3.2Å; S21-S23 CarbonylContact O-C 3.59Å; S21-S23 PolarHBondContact O-N 2.8Å; S21-A24 WeakPolarHBondContact O-CB 3.49Å; S21-A24 PolarHBondContact O-N 3.28Å | ||
| 22 | L | 39.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 60% | 0.602 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -55.3 | -17.8 | 179.7 | -83.5 | 150.7 | 0 | 0 | 0 | 110.5 | L20 A24 I25 A26 | L20-L22 PolarHBondContact O-N 2.91Å; L22-A24 PolarHBondContact O-N 3.19Å; L22-I25 HydrophobicContact CD2-CD1 4.3Å; L22-I25 PolarHBondContact O-N 3.39Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.98Å |
| 23 | S | 36.6 | Very low | 39.3 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 48% | 0.483 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -59.2 | -35 | 165.3 | -173.3 | 0 | 0 | 0 | 0 | 115.4 | S21 A26 K27 | S21-S23 CarbonylContact O-C 3.59Å; S21-S23 PolarHBondContact O-N 2.8Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-K27 WeakPolarHBondContact O-CB 3.35Å; S23-K27 PolarHBondContact O-N 2.81Å |
| 24 | A | 40 | Very low | 39.3 | Very low | 56 Ų | 56 | 132.2 Ų | 132.2 | 46% | 0.463 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -78 | -21.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S21 L22 | S21-A24 WeakPolarHBondContact O-CB 3.49Å; S21-A24 PolarHBondContact O-N 3.28Å; L22-A24 PolarHBondContact O-N 3.19Å |
| 25 | I | 44.9 | Very low | 39.3 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 56% | 0.564 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.4 | -37.4 | 167.6 | -62.8 | 176.6 | 0 | 0 | 0 | 109.5 | L22 K27 | L22-I25 HydrophobicContact CD2-CD1 4.3Å; L22-I25 PolarHBondContact O-N 3.39Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.48Å |
| 26 | A | 43.3 | Very low | 39.6 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68.9 | -28.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L22 S23 G28 | L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.98Å; S23-A26 PolarHBondContact O-N 3.34Å; A26-G28 PolarHBondContact O-N 3.04Å |
| 27 | K | 40.4 | Very low | 39.8 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -92.5 | 81.7 | 177.7 | -77.1 | 179.7 | 176.9 | 175.5 | 0 | 111.8 | S23 I25 R29 | S23-K27 WeakPolarHBondContact O-CB 3.35Å; S23-K27 PolarHBondContact O-N 2.81Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.48Å; K27-R29 PolarHBondContact O-N 2.86Å |
| 28 | G | 37.6 | Very low | 40.3 | Very low | 60 Ų | 60 | 140.7 Ų | 140.7 | 62% | 0.619 | 72% | 0.721 | S | S | * | * | trans | 64.3 | 46.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A26 M30 | A26-G28 PolarHBondContact O-N 3.04Å; G28-M30 PolarHBondContact O-N 3.45Å | ||
| 29 | R | 40.4 | Very low | 40.7 | Very low | 238 Ų | 238 | 133.3 Ų | 133.3 | 90% | 0.898 | 71% | 0.706 | S | S | * | * | trans | -71.1 | 75.8 | 155.6 | -148.1 | 178.8 | -170 | 115.3 | -0.8 | 107.6 | K27 D31 | K27-R29 PolarHBondContact O-N 2.86Å; R29-D31 PolarHBondContact O-N 3.38Å | ||
| 30 | M | 37.4 | Very low | 40.8 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | trans | -44.4 | 103.8 | 169 | -78.1 | 172.7 | 153.6 | 0 | 0 | 108 | G28 R32 | G28-M30 PolarHBondContact O-N 3.45Å; M30-R32 PolarHBondContact O-N 3.25Å | ||
| 31 | D | 41.9 | Very low | 41.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | trans | -63.1 | 111 | 166.1 | -97.5 | -30.1 | 0 | 0 | 0 | 106.8 | R29 R33 E34 | R29-D31 PolarHBondContact O-N 3.38Å; D31-R33 PolarHBondContact O-N 3.15Å; D31-E34 PolarHBondContact O-N 3.14Å | ||
| 32 | R | 44.5 | Very low | 41.8 | Very low | 242 Ų | 242 | 139.3 Ų | 139.3 | 91% | 0.913 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 12.4 | -179.8 | -63.6 | -168.8 | -159.2 | -179.8 | 4.9 | 113.7 | M30 | M30-R32 PolarHBondContact O-N 3.25Š|
| 33 | R | 41.7 | Very low | 42 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -6.4 | -179.1 | -66.1 | -172.7 | 178.2 | -177.4 | 0.3 | 113.6 | D31 H35 | D31-R33 PolarHBondContact O-N 3.15Å; R33-H35 VanDerWaalsContact C-N 3.32Å; R33-H35 PolarHBondContact O-N 2.67Å |
| 34 | E | 38.7 | Very low | 42.5 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 66% | 0.659 | 77% | 0.768 | S | S | * | * | trans | -90.4 | 21.6 | -178.3 | -65.2 | -162.3 | 150.5 | 0 | 0 | 115.3 | D31 Q36 | D31-E34 PolarHBondContact O-N 3.14Å; E34-Q36 PolarHBondContact O-N 2.87Å; E34-Q36 VanDerWaalsContact O-N 3.08Å | ||
| 35 | H | 40.1 | Very low | 42.7 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -72.8 | 13.7 | 165.9 | -93.8 | -64.1 | 0 | 0 | 0 | 114.2 | R33 A37 | R33-H35 VanDerWaalsContact C-N 3.32Å; R33-H35 PolarHBondContact O-N 2.67Å; H35-A37 PolarHBondContact O-N 3.24Å | ||
| 36 | Q | 46.5 | Very low | 42.7 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -81 | 99.3 | 163.9 | -69 | -159.2 | -12.8 | 0 | 0 | 108.9 | E34 G38 | E34-Q36 PolarHBondContact O-N 2.87Å; E34-Q36 VanDerWaalsContact O-N 3.08Å; Q36-G38 PolarHBondContact O-N 3.35Å; Q36-G38 VanDerWaalsContact O-N 3.08Å |
| 37 | A | 46.6 | Very low | 42.7 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 111.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H35 | H35-A37 PolarHBondContact O-N 3.24Š|
| 38 | G | 46.8 | Very low | 42.9 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.8 | -9.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q36 R40 | Q36-G38 PolarHBondContact O-N 3.35Å; Q36-G38 VanDerWaalsContact O-N 3.08Å; G38-R40 PolarHBondContact O-N 2.87Å |
| 39 | S | 41.7 | Very low | 43.1 | Very low | 84 Ų | 84 | 154 Ų | 154 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 125.1 | -179.2 | -33.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 40 | R | 38.5 | Very low | 43.1 | Very low | 231 Ų | 231 | 151.4 Ų | 151.4 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 142.6 | 178.6 | -66.9 | -179 | 179.5 | -177.8 | -0.9 | 111.1 | G38 | G38-R40 PolarHBondContact O-N 2.87Š|
| 41 | P | 43.5 | Very low | 43.4 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.7 | 175.3 | 27 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 42 | V | 47.4 | Very low | 43.5 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 124.9 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 43 | E | 43.9 | Very low | 43.6 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130.5 | 178.6 | -67.1 | -177.8 | 166.1 | 0 | 0 | 111.1 | G45 | E43-G45 PolarHBondContact O-N 3.29Å; E43-G45 VanDerWaalsContact O-N 3.12Å |
| 44 | E | 46.5 | Very low | 43.9 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 97.1 | -177.9 | -68.6 | 178.7 | 158 | 0 | 0 | 110.7 | ||||
| 45 | G | 45 | Very low | 44.5 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -76.1 | 126.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E43 E47 | E43-G45 PolarHBondContact O-N 3.29Å; E43-G45 VanDerWaalsContact O-N 3.12Å; G45-E47 PolarHBondContact O-N 3.33Å | ||
| 46 | V | 45 | Very low | 45 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -70.5 | 18.3 | -174.1 | -166.9 | 0 | 0 | 0 | 0 | 114 | G48 | V46-G48 VanDerWaalsContact C-N 3.34Å; V46-G48 PolarHBondContact O-N 2.77Å |
| 47 | E | 43.1 | Very low | 45.2 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -83.4 | -4.7 | -171.6 | -69.7 | -167.8 | 152.7 | 0 | 0 | 114.9 | G45 E49 | G45-E47 PolarHBondContact O-N 3.33Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E49 PolarHBondContact O-N 2.92Å |
| 48 | G | 43.5 | Very low | 45.4 | Very low | 61 Ų | 61 | 134.2 Ų | 134.2 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -68.6 | -22.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V46 | V46-G48 VanDerWaalsContact C-N 3.34Å; V46-G48 PolarHBondContact O-N 2.77Å |
| 49 | E | 42.7 | Very low | 45.5 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -81.1 | -25.6 | -171.5 | -71 | -169.6 | 155.7 | 0 | 0 | 114 | E47 | E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E49 PolarHBondContact O-N 2.92Å |
| 50 | K | 40 | Very low | 46 | Very low | 185 Ų | 185 | 142 Ų | 142 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -15.6 | -175.2 | -75.9 | -172.6 | 178.1 | 179.9 | 0 | 115 | ||
| 51 | Y | 44.1 | Very low | 46.8 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -78.4 | -19.6 | -179.9 | -82.9 | -85.7 | 0 | 0 | 0 | 113.3 | V55 | Y51-V55 WeakPolarHBondContact O-CG2 3.36Å |
| 52 | F | 42.9 | Very low | 47.4 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 70% | 0.697 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -77.1 | -28.1 | -171.1 | -130 | -91.6 | 0 | 0 | 0 | 114.1 | ||
| 53 | E | 47.9 | Very low | 47.7 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -79.3 | -29.4 | -176.6 | -79.3 | -174.3 | 151.2 | 0 | 0 | 113.6 | ||
| 54 | T | 48.4 | Very low | 48.1 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -84.9 | -38.4 | -174.6 | -25.7 | 0 | 0 | 0 | 0 | 113.1 | G56 | T54-G56 VanDerWaalsContact C-N 3.34Å |
| 55 | V | 50.6 | Low | 48.4 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 49% | 0.491 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -76.6 | -21.3 | 177.7 | -99.6 | 0 | 0 | 0 | 0 | 113.3 | Y51 L57 L59 | Y51-V55 WeakPolarHBondContact O-CG2 3.36Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.42Å; V55-L59 PolarHBondContact O-N 3.04Å |
| 56 | G | 51 | Low | 48.9 | Very low | 30 Ų | 30 | 131.5 Ų | 131.5 | 31% | 0.309 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -60.8 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T54 | T54-G56 VanDerWaalsContact C-N 3.34Å |
| 57 | L | 50.2 | Low | 49.2 | Very low | 141 Ų | 141 | 128 Ų | 128 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.2 | -33.7 | -177.3 | -69.7 | 171.1 | 0 | 0 | 0 | 113 | V55 W60 A61 | V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.42Å; L57-W60 PolarHBondContact O-N 3.43Å; L57-A61 PolarHBondContact O-N 3.29Å |
| 58 | E | 51.1 | Low | 49.6 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.3 | -32.3 | 178.5 | -68.8 | -149.5 | 152.2 | 0 | 0 | 113.1 | W60 A61 Y62 | E58-W60 VanDerWaalsContact C-N 3.3Å; E58-W60 PolarHBondContact O-N 2.7Å; E58-A61 PolarHBondContact O-N 3.19Å; E58-Y62 PolarHBondContact O-N 2.86Å; E58-Y62 VanDerWaalsContact O-N 3.16Å |
| 59 | L | 48.5 | Very low | 49.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 62% | 0.618 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.7 | -30.1 | 176.6 | -89.6 | 158.3 | 0 | 0 | 0 | 112.9 | V55 Y62 F63 | V55-L59 PolarHBondContact O-N 3.04Å; L59-Y62 PolarHBondContact O-N 2.92Å; L59-F63 WeakPolarHBondContact O-CB 3.43Å; L59-F63 PolarHBondContact O-N 3.24Å |
| 60 | W | 51.3 | Low | 50.1 | Low | 206 Ų | 206 | 129.7 Ų | 129.7 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.2 | -35.1 | 177.6 | -75.5 | 54 | 0 | 0 | 0 | 111.9 | L57 E58 Y62 F63 L64 | L57-W60 PolarHBondContact O-N 3.43Å; E58-W60 VanDerWaalsContact C-N 3.3Å; E58-W60 PolarHBondContact O-N 2.7Å; W60-Y62 VanDerWaalsContact C-N 3.32Å; W60-F63 PolarHBondContact O-N 2.92Å; W60-L64 WeakPolarHBondContact O-CB 3.37Å; W60-L64 PolarHBondContact O-N 2.79Å |
| 61 | A | 57.2 | Low | 50.7 | Low | 64 Ų | 64 | 126.3 Ų | 126.3 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.2 | -38.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L57 E58 L64 S65 | L57-A61 PolarHBondContact O-N 3.29Å; E58-A61 PolarHBondContact O-N 3.19Å; A61-L64 PolarHBondContact O-N 3.14Å; A61-S65 PolarHBondContact O-N 2.88Å; A61-S65 VanDerWaalsContact O-N 3.11Å |
| 62 | Y | 54.8 | Low | 50.7 | Low | 175 Ų | 175 | 123.2 Ų | 123.2 | 69% | 0.686 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.5 | -40.8 | 173.4 | -115.5 | -85.9 | 0 | 0 | 0 | 112.6 | E58 L59 W60 L64 S65 V66 | E58-Y62 PolarHBondContact O-N 2.86Å; E58-Y62 VanDerWaalsContact O-N 3.16Å; L59-Y62 PolarHBondContact O-N 2.92Å; W60-Y62 VanDerWaalsContact C-N 3.32Å; Y62-L64 VanDerWaalsContact C-N 3.26Å; Y62-L64 PolarHBondContact O-N 2.93Å; Y62-S65 PolarHBondContact O-N 3.22Å; Y62-V66 WeakPolarHBondContact O-CG2 3.35Å; Y62-V66 PolarHBondContact O-N 3.33Å |
| 63 | F | 54.8 | Low | 51.1 | Low | 170 Ų | 170 | 124 Ų | 124 | 75% | 0.746 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.6 | -35.4 | 177.6 | -162.8 | -97.8 | 0 | 0 | 0 | 111.7 | L59 W60 A67 | L59-F63 WeakPolarHBondContact O-CB 3.43Å; L59-F63 PolarHBondContact O-N 3.24Å; W60-F63 PolarHBondContact O-N 2.92Å; F63-A67 PolarHBondContact O-N 3.17Å |
| 64 | L | 51.4 | Low | 51.3 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.2 | -32.5 | 179.1 | -158.1 | 67.3 | 0 | 0 | 0 | 113 | W60 A61 Y62 A67 | W60-L64 WeakPolarHBondContact O-CB 3.37Å; W60-L64 PolarHBondContact O-N 2.79Å; A61-L64 PolarHBondContact O-N 3.14Å; Y62-L64 VanDerWaalsContact C-N 3.26Å; Y62-L64 PolarHBondContact O-N 2.93Å; L64-A67 WeakPolarHBondContact O-CB 3.44Å; L64-A67 PolarHBondContact O-N 3.45Å |
| 65 | S | 53.8 | Low | 51.4 | Low | 81 Ų | 81 | 123.5 Ų | 123.5 | 57% | 0.566 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.6 | -30.7 | 177.5 | 93.1 | 0 | 0 | 0 | 0 | 112.8 | A61 Y62 A67 | A61-S65 PolarHBondContact O-N 2.88Å; A61-S65 VanDerWaalsContact O-N 3.11Å; Y62-S65 PolarHBondContact O-N 3.22Å; S65-A67 VanDerWaalsContact C-N 3.32Å |
| 66 | V | 54.7 | Low | 51.4 | Low | 96 Ų | 96 | 126.7 Ų | 126.7 | 58% | 0.582 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.1 | -15.2 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | Y62 H68 V69 | Y62-V66 WeakPolarHBondContact O-CG2 3.35Å; Y62-V66 PolarHBondContact O-N 3.33Å; V66-H68 PolarHBondContact O-N 3.43Å; V66-H68 VanDerWaalsContact O-N 3.09Å; V66-V69 PolarHBondContact O-N 3.3Å |
| 67 | A | 50.9 | Low | 51.5 | Low | 57 Ų | 57 | 133.2 Ų | 133.2 | 47% | 0.471 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -10 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F63 L64 S65 V69 L70 | F63-A67 PolarHBondContact O-N 3.17Å; L64-A67 WeakPolarHBondContact O-CB 3.44Å; L64-A67 PolarHBondContact O-N 3.45Å; S65-A67 VanDerWaalsContact C-N 3.32Å; A67-V69 PolarHBondContact O-N 3.04Å; A67-L70 PolarHBondContact O-N 2.97Å |
| 68 | H | 52.1 | Low | 51.5 | Low | 180 Ų | 180 | 130.2 Ų | 130.2 | 83% | 0.833 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 14.8 | 176.5 | -123.8 | -92.9 | 0 | 0 | 0 | 114.8 | V66 | V66-H68 PolarHBondContact O-N 3.43Å; V66-H68 VanDerWaalsContact O-N 3.09Å |
| 69 | V | 49.1 | Very low | 51.9 | Low | 110 Ų | 110 | 126.1 Ų | 126.1 | 67% | 0.667 | 65% | 0.65 | S | S | * | * | trans | -107.3 | 53.1 | 158.4 | -164.6 | 0 | 0 | 0 | 0 | 108.3 | V66 A67 V71 | V66-V69 PolarHBondContact O-N 3.3Å; A67-V69 PolarHBondContact O-N 3.04Å; V69-V71 HydrophobicContact CG1-CG1 4.05Å; V69-V71 PolarHBondContact O-N 3.21Å | ||
| 70 | L | 48 | Very low | 52.4 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | trans | -66.1 | 80.4 | 152.9 | -167.4 | 92 | 0 | 0 | 0 | 105.6 | A67 D72 | A67-L70 PolarHBondContact O-N 2.97Å; L70-D72 PolarHBondContact O-N 2.94Å | ||
| 71 | V | 52.9 | Low | 53 | Low | 113 Ų | 113 | 120.3 Ų | 120.3 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | trans | -60.4 | 103.4 | 159.4 | -90.8 | 0 | 0 | 0 | 0 | 104.7 | V69 F73 | V69-V71 HydrophobicContact CG1-CG1 4.05Å; V69-V71 PolarHBondContact O-N 3.21Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-F73 PolarHBondContact O-N 3.09Å | ||
| 72 | D | 43.7 | Very low | 53.6 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | trans | -41.5 | 97.7 | 175.3 | -84.3 | -47.3 | 0 | 0 | 0 | 109.8 | L70 T74 | L70-D72 PolarHBondContact O-N 2.94Å; D72-T74 WeakPolarHBondContact CB-OG1 3.5Å; D72-T74 PolarHBondContact O-N 2.96Å; D72-T74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | F | 51.1 | Low | 54.5 | Low | 175 Ų | 175 | 121.3 Ų | 121.3 | 77% | 0.768 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 3.3 | 169.7 | -138.1 | -90.7 | 0 | 0 | 0 | 110.7 | V71 E75 F76 | V71-F73 VanDerWaalsContact C-N 3.34Å; V71-F73 PolarHBondContact O-N 3.09Å; F73-E75 PolarHBondContact O-N 3.31Å; F73-F76 PolarHBondContact O-N 2.91Å |
| 74 | T | 51.9 | Low | 55.7 | Low | 118 Ų | 118 | 118.3 Ų | 118.3 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -3.3 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | D72 F76 | D72-T74 WeakPolarHBondContact CB-OG1 3.5Å; D72-T74 PolarHBondContact O-N 2.96Å; D72-T74 VanDerWaalsContact O-N 3.11Å; T74-F76 VanDerWaalsContact C-N 3.31Å; T74-F76 PolarHBondContact O-N 3.05Å |
| 75 | E | 51.3 | Low | 57.2 | Low | 150 Ų | 150 | 115.8 Ų | 115.8 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -94.3 | 56.8 | 160.2 | -69 | -165 | -171.1 | 0 | 0 | 111.3 | F73 K77 | F73-E75 PolarHBondContact O-N 3.31Å; E75-K77 PolarHBondContact O-N 3.3Å | ||
| 76 | F | 50.5 | Low | 58.5 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | trans | -66.6 | 82.8 | 149.8 | -143.3 | -99.8 | 0 | 0 | 0 | 105.6 | F73 T74 S78 V79 | F73-F76 PolarHBondContact O-N 2.91Å; T74-F76 VanDerWaalsContact C-N 3.31Å; T74-F76 PolarHBondContact O-N 3.05Å; F76-S78 PolarHBondContact O-N 3.11Å; F76-V79 HydrophobicContact CD1-CG2 3.95Å; F76-V79 HydrophobicContact CE1-CG2 3.46Å; F76-V79 VanDerWaalsContact CE1-CG2 3.46Å | ||
| 77 | K | 52.1 | Low | 59.8 | Low | 167 Ų | 167 | 123.3 Ų | 123.3 | 73% | 0.726 | 66% | 0.662 | S | S | * | * | trans | -46 | 117.9 | 169.8 | -73.4 | -168.4 | 177.4 | -175.6 | 0 | 105.5 | E75 V79 | E75-K77 PolarHBondContact O-N 3.3Å; K77-V79 PolarHBondContact O-N 3.02Å | ||
| 78 | S | 51.3 | Low | 61.2 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -38.5 | 124.7 | -175 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | F76 D80 G81 | F76-S78 PolarHBondContact O-N 3.11Å; S78-D80 PolarHBondContact O-N 2.94Å; S78-G81 PolarHBondContact O-N 2.8Å | ||
| 79 | V | 57.8 | Low | 62.6 | Low | 63 Ų | 63 | 118.6 Ų | 118.6 | 38% | 0.382 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -50.1 | -24 | -175.1 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | F76 K77 G81 I82 F83 | F76-V79 HydrophobicContact CD1-CG2 3.95Å; F76-V79 HydrophobicContact CE1-CG2 3.46Å; F76-V79 VanDerWaalsContact CE1-CG2 3.46Å; K77-V79 PolarHBondContact O-N 3.02Å; V79-G81 PolarHBondContact O-N 3.42Å; V79-G81 VanDerWaalsContact O-N 3.11Å; V79-I82 HydrophobicContact CG1-CD1 4.2Å; V79-I82 WeakPolarHBondContact O-CB 3.14Å; V79-I82 WeakPolarHBondContact O-CG1 3.41Å; V79-I82 PolarHBondContact O-N 3.48Å; V79-F83 HydrophobicContact CG1-CE2 4.25Å |
| 80 | D | 59.3 | Low | 64.4 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -51 | -30.5 | 175.8 | -51.4 | -35.6 | 0 | 0 | 0 | 113.7 | S78 | S78-D80 PolarHBondContact O-N 2.94Š|
| 81 | G | 64.7 | Low | 66.3 | Low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -82.8 | -7.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S78 V79 | S78-G81 PolarHBondContact O-N 2.8Å; V79-G81 PolarHBondContact O-N 3.42Å; V79-G81 VanDerWaalsContact O-N 3.11Å |
| 82 | I | 69.2 | Low | 68 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 60% | 0.595 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -37.2 | -176.3 | -58.5 | 179.7 | 0 | 0 | 0 | 110.9 | V79 | V79-I82 HydrophobicContact CG1-CD1 4.2Å; V79-I82 WeakPolarHBondContact O-CB 3.14Å; V79-I82 WeakPolarHBondContact O-CG1 3.41Å; V79-I82 PolarHBondContact O-N 3.48Å |
| 83 | F | 75 | Confident | 70.1 | Confident | 143 Ų | 143 | 115.6 Ų | 115.6 | 63% | 0.627 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -94.9 | 137.1 | -176.1 | -67.2 | -77.1 | 0 | 0 | 0 | 111.3 | V79 T85 | V79-F83 HydrophobicContact CG1-CE2 4.25Å; F83-T85 PolarHBondContact O-N 3.36Å |
| 84 | P | 78.1 | Confident | 71.9 | Confident | 108 Ų | 108 | 112.8 Ų | 112.8 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | trans | -64.9 | 124.2 | 174.8 | 27.1 | -32.8 | 0 | 0 | 0 | 109.9 | ||||
| 85 | T | 83.8 | Confident | 73.6 | Confident | 80 Ų | 80 | 110.4 Ų | 110.4 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | trans | -104.7 | 166.7 | 173.9 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | F83 E87 T88 | F83-T85 PolarHBondContact O-N 3.36Å; T85-E87 PolarHBondContact O-N 2.79Å; T85-E87 VanDerWaalsContact O-N 3.09Å; T85-T88 PolarHBondContact N-OG1 3.41Å; T85-T88 VanDerWaalsContact O-CB 3.31Å; T85-T88 WeakPolarHBondContact O-CB 3.5Å; T85-T88 PolarHBondContact O-N 2.84Å; T85-T88 PolarHBondContact O-OG1 2.9Å | ||
| 86 | M | 80.3 | Confident | 75.5 | Confident | 177 Ų | 177 | 105.9 Ų | 105.9 | 87% | 0.872 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -30.3 | 175.2 | -66.6 | -174 | 179.3 | 0 | 0 | 112.8 | ||
| 87 | E | 83.3 | Confident | 77.5 | Confident | 157 Ų | 157 | 100.3 Ų | 100.3 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -26.5 | 178.1 | -60.5 | -175.2 | 167.8 | 0 | 0 | 113.3 | T85 M89 K90 Q91 | T85-E87 PolarHBondContact O-N 2.79Å; T85-E87 VanDerWaalsContact O-N 3.09Å; E87-M89 PolarHBondContact O-N 3.11Å; E87-M89 VanDerWaalsContact O-N 3.14Å; E87-K90 PolarHBondContact O-N 3.26Å; E87-Q91 PolarHBondContact O-N 3.26Å |
| 88 | T | 80.8 | Confident | 79.3 | Confident | 41 Ų | 41 | 93.7 Ų | 93.7 | 25% | 0.252 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -60.7 | -28.5 | -178.1 | -48.4 | 0 | 0 | 0 | 0 | 112 | T85 K90 Q91 | T85-T88 PolarHBondContact N-OG1 3.41Å; T85-T88 VanDerWaalsContact O-CB 3.31Å; T85-T88 WeakPolarHBondContact O-CB 3.5Å; T85-T88 PolarHBondContact O-N 2.84Å; T85-T88 PolarHBondContact O-OG1 2.9Å; T88-K90 VanDerWaalsContact C-N 3.32Å; T88-K90 PolarHBondContact O-N 3.36Å; T88-Q91 WeakPolarHBondContact O-CB 3.17Å; T88-Q91 PolarHBondContact O-N 3.39Å |
| 89 | M | 81.5 | Confident | 81.2 | Confident | 97 Ų | 97 | 96.2 Ų | 96.2 | 48% | 0.478 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -68.4 | -30.5 | 176.6 | -63.5 | -59.4 | -167.7 | 0 | 0 | 113.3 | E87 F98 E99 | E87-M89 PolarHBondContact O-N 3.11Å; E87-M89 VanDerWaalsContact O-N 3.14Å; M89-F98 WeakPolarHBondContact O-CB 3.4Å; M89-F98 HydrophobicContact SD-CD1 3.7Å; M89-F98 HydrophobicContact SD-CE1 3.75Å; M89-E99 PolarHBondContact O-N 2.77Å |
| 90 | K | 85.2 | Confident | 82.8 | Confident | 168 Ų | 168 | 98.7 Ų | 98.7 | 73% | 0.73 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -91.3 | -6.3 | 179.5 | -63.8 | -177.3 | 179.8 | 178.9 | 0 | 112.7 | E87 T88 V92 | E87-K90 PolarHBondContact O-N 3.26Å; T88-K90 VanDerWaalsContact C-N 3.32Å; T88-K90 PolarHBondContact O-N 3.36Å; K90-V92 PolarHBondContact O-N 3.09Å |
| 91 | Q | 87.6 | Confident | 84.5 | Confident | 97 Ų | 97 | 92.4 Ų | 92.4 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | trans | -63.4 | 131.2 | 179.3 | -173.3 | 175.2 | -2.6 | 0 | 0 | 110.4 | E87 T88 F93 F98 | E87-Q91 PolarHBondContact O-N 3.26Å; T88-Q91 WeakPolarHBondContact O-CB 3.17Å; T88-Q91 PolarHBondContact O-N 3.39Å; Q91-F93 HydrophobicContact CB-CE2 3.95Å; Q91-F93 HydrophobicContact CB-CZ 4.36Å; Q91-F93 VanDerWaalsContact CD-CZ 3.44Å; Q91-F93 HydrophobicContact CG-CD2 4.48Å; Q91-F93 HydrophobicContact CG-CE2 3.83Å; Q91-F93 HydrophobicContact CG-CZ 3.85Å; Q91-F98 PolarHBondContact O-N 2.85Å | ||
| 92 | V | 89.3 | Confident | 86 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 53% | 0.527 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.1 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | K90 G95 I96 | K90-V92 PolarHBondContact O-N 3.09Å; V92-G95 VanDerWaalsContact CG1-CA 3.43Å; V92-I96 WeakPolarHBondContact CA-O 3.41Å |
| 93 | F | 87.3 | Confident | 87.3 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 24% | 0.237 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.1 | 174.3 | -63.9 | -86.2 | 0 | 0 | 0 | 109.3 | Q91 G95 I96 F98 M101 I191 | Q91-F93 HydrophobicContact CB-CE2 3.95Å; Q91-F93 HydrophobicContact CB-CZ 4.36Å; Q91-F93 VanDerWaalsContact CD-CZ 3.44Å; Q91-F93 HydrophobicContact CG-CD2 4.48Å; Q91-F93 HydrophobicContact CG-CE2 3.83Å; Q91-F93 HydrophobicContact CG-CZ 3.85Å; F93-G95 PolarHBondContact O-N 3.37Å; F93-G95 VanDerWaalsContact O-N 3.15Å; F93-I96 PolarHBondContact N-O 2.98Å; F93-I96 PolarHBondContact O-N 3.11Å; F93-I96 VanDerWaalsContact O-O 3.11Å; F93-F98 HydrophobicContact CD2-CB 4.15Å; F93-F98 HydrophobicContact CD2-CD2 4.18Å; F93-F98 HydrophobicContact CE2-CB 4Å; F93-F98 AromaticContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CG 4.33Å; F93-M101 HydrophobicContact CB-CE 3.94Å; F93-M101 HydrophobicContact CD2-CE 4.29Å; F93-M101 HydrophobicContact CG-CE 4.43Å; F93-I191 HydrophobicContact CB-CD1 3.82Å; F93-I191 HydrophobicContact CB-CG1 4.49Å; F93-I191 HydrophobicContact CB-CG2 4.3Å; F93-I191 HydrophobicContact CD1-CG2 3.77Å; F93-I191 HydrophobicContact CD2-CG2 3.92Å; F93-I191 HydrophobicContact CE1-CG2 4Å; F93-I191 HydrophobicContact CE2-CG2 4.14Å; F93-I191 HydrophobicContact CG-CD1 4.45Å; F93-I191 HydrophobicContact CG-CG2 3.72Å; F93-I191 HydrophobicContact CZ-CG2 4.17Å |
| 94 | N | 88.6 | Confident | 88.4 | Confident | 117 Ų | 117 | 80.1 Ų | 80.1 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 36.9 | -178.1 | -61.7 | -17 | 0 | 0 | 0 | 113.2 | I96 N164 | N94-I96 VanDerWaalsContact C-N 3.31Å; N94-I96 PolarHBondContact O-N 3.37Å; N94-N164 PolarHBondContact ND2-OD1 3.39Å |
| 95 | G | 88.6 | Confident | 89.4 | Confident | 68 Ų | 68 | 77.7 Ų | 77.7 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -3.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | V92 F93 | V92-G95 VanDerWaalsContact CG1-CA 3.43Å; F93-G95 PolarHBondContact O-N 3.37Å; F93-G95 VanDerWaalsContact O-N 3.15Å |
| 96 | I | 90.8 | Very high | 90 | Very high | 55 Ų | 55 | 73.9 Ų | 73.9 | 28% | 0.282 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.9 | 179.3 | -49.8 | -179 | 0 | 0 | 0 | 108.9 | V92 F93 N94 E100 M101 N164 | V92-I96 WeakPolarHBondContact CA-O 3.41Å; F93-I96 PolarHBondContact N-O 2.98Å; F93-I96 PolarHBondContact O-N 3.11Å; F93-I96 VanDerWaalsContact O-O 3.11Å; N94-I96 VanDerWaalsContact C-N 3.31Å; N94-I96 PolarHBondContact O-N 3.37Å; I96-E100 HydrophobicContact CG2-CB 4.33Å; I96-M101 HydrophobicContact CG2-CB 4.41Å; I96-N164 HydrophobicContact CD1-CB 4.38Å; I96-N164 WeakPolarHBondContact CD1-ND2 3.24Å |
| 97 | P | 91.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 20% | 0.195 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 148.7 | 173.6 | 26.9 | -32.6 | 0 | 0 | 0 | 109.9 | E99 E100 | P97-E99 VanDerWaalsContact C-N 3.28Å; P97-E99 PolarHBondContact O-N 2.81Å; P97-E100 HydrophobicContact CG-CB 3.89Å; P97-E100 HydrophobicContact CG-CG 3.7Å; P97-E100 WeakPolarHBondContact CG-OE2 3.48Å; P97-E100 PolarHBondContact O-N 3.2Å |
| 98 | F | 91.2 | Very high | 91.4 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 13% | 0.127 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -52.3 | -51.3 | -178.3 | -178.9 | -98.4 | 0 | 0 | 0 | 109.6 | M89 Q91 F93 E100 M101 R166 | M89-F98 WeakPolarHBondContact O-CB 3.4Å; M89-F98 HydrophobicContact SD-CD1 3.7Å; M89-F98 HydrophobicContact SD-CE1 3.75Å; Q91-F98 PolarHBondContact O-N 2.85Å; F93-F98 HydrophobicContact CD2-CB 4.15Å; F93-F98 HydrophobicContact CD2-CD2 4.18Å; F93-F98 HydrophobicContact CE2-CB 4Å; F93-F98 AromaticContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CG 4.33Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 3.23Å; F98-M101 WeakPolarHBondContact O-CB 3.46Å; F98-M101 PolarHBondContact O-N 3.14Å; F98-R166 HydrophobicContact CD2-CG 4.38Å; F98-R166 HydrophobicContact CE2-CG 3.85Å; F98-R166 HydrophobicContact CZ-CG 4.2Å; F98-R166 PolarHBondContact O-NE 2.93Å; F98-R166 VanDerWaalsContact O-NE 3.14Å; F98-R166 PolarHBondContact O-NH1 2.84Å; F98-R166 PolarHBondContact O-NH2 2.8Å |
| 99 | E | 90.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 65 Ų | 65 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -53 | -35.3 | -178.3 | -172 | 169.9 | -173.5 | 0 | 0 | 116.1 | M89 P97 R166 | M89-E99 PolarHBondContact O-N 2.77Å; P97-E99 VanDerWaalsContact C-N 3.28Å; P97-E99 PolarHBondContact O-N 2.81Å; E99-R166 PolarHBondContact O-NH2 2.89Å |
| 100 | E | 92.2 | Very high | 92.7 | Very high | 115 Ų | 115 | 68.2 Ų | 68.2 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -88.1 | -5.2 | -175 | -65.4 | 173.8 | -167.1 | 0 | 0 | 113.6 | I96 P97 F98 N120 | I96-E100 HydrophobicContact CG2-CB 4.33Å; P97-E100 HydrophobicContact CG-CB 3.89Å; P97-E100 HydrophobicContact CG-CG 3.7Å; P97-E100 WeakPolarHBondContact CG-OE2 3.48Å; P97-E100 PolarHBondContact O-N 3.2Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 3.23Å; E100-N120 WeakPolarHBondContact CA-ND2 3.46Å; E100-N120 PolarHBondContact O-ND2 3.2Å |
| 101 | M | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -74.4 | 142.6 | -173.9 | -174.7 | -174.8 | -49.6 | 0 | 0 | 113.2 | F93 I96 F98 N164 R166 I191 | F93-M101 HydrophobicContact CB-CE 3.94Å; F93-M101 HydrophobicContact CD2-CE 4.29Å; F93-M101 HydrophobicContact CG-CE 4.43Å; I96-M101 HydrophobicContact CG2-CB 4.41Å; F98-M101 WeakPolarHBondContact O-CB 3.46Å; F98-M101 PolarHBondContact O-N 3.14Å; M101-N164 HydrophobicContact CE-CB 4.39Å; M101-N164 HydrophobicContact CG-CB 4.07Å; M101-N164 WeakPolarHBondContact CG-O 3.4Å; M101-N164 HydrophobicContact SD-CB 4.03Å; M101-R166 HydrophobicContact CG-CG 4.33Å; M101-R166 PolarHBondContact O-NE 2.81Å; M101-R166 PolarHBondContact O-NH2 2.88Å; M101-R166 HydrophobicContact SD-CG 3.64Å; M101-I191 HydrophobicContact CE-CB 4.27Å; M101-I191 HydrophobicContact CE-CD1 3.26Å; M101-I191 HydrophobicContact CE-CG1 4.31Å; M101-I191 HydrophobicContact CE-CG2 4.12Å; M101-I191 HydrophobicContact SD-CB 3.98Å; M101-I191 HydrophobicContact SD-CD1 3.39Å; M101-I191 WeakPolarHBondContact SD-CD1 3.34Å; M101-I191 HydrophobicContact SD-CG1 4.22Å; M101-I191 HydrophobicContact SD-CG2 4.37Å |
| 102 | H | 96.7 | Very high | 93.4 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 21% | 0.213 | 32% | 0.321 | C | S | . | . | trans | -52.6 | 146.8 | 174 | -60.8 | 90 | 0 | 0 | 0 | 113.1 | T118 D119 I125 V162 V165 R166 | H102-T118 WeakPolarHBondContact CA-O 3.38Å; H102-D119 IonicContact CD2-OD1 2.7Å; H102-D119 IonicContact NE2-OD1 2.76Å; H102-I125 WeakPolarHBondContact CD2-CD1 3.21Å; H102-V162 HydrophobicContact CB-CG1 3.78Å; H102-V165 HydrophobicContact CB-CG2 4.46Å; H102-V165 WeakPolarHBondContact O-CA 3.49Å; H102-R166 PolarHBondContact O-N 3.1Å | ||
| 103 | I | 97.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.8 | -177 | -56.3 | 173.1 | 0 | 0 | 0 | 109.1 | V117 T118 R166 I168 | I103-V117 CarbonylContact O-C 3.57Å; I103-V117 WeakPolarHBondContact O-CA 3.48Å; I103-T118 PolarHBondContact N-O 3.48Å; I103-T118 PolarHBondContact O-N 3.33Å; I103-T118 PolarHBondContact O-OG1 3Å; I103-R166 CarbonylContact C-O 3.59Å; I103-R166 WeakPolarHBondContact CA-O 3.19Å; I103-I168 HydrophobicContact CG2-CB 4.45Å; I103-I168 HydrophobicContact CG2-CD1 3.59Å; I103-I168 HydrophobicContact CG2-CG1 3.85Å |
| 104 | C | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.6 | 169.8 | -84.3 | 0 | 0 | 0 | 0 | 109.6 | V106 T116 V117 V165 R166 I167 I168 L183 | C104-V106 PolarHBondContact O-N 3.37Å; C104-T116 CarbonylContact C-O 3.6Å; C104-V117 VanDerWaalsContact SG-CG2 3.53Å; C104-V165 HydrophobicContact CB-CG1 3.33Å; C104-V165 WeakPolarHBondContact SG-CG1 3.4Å; C104-R166 PolarHBondContact N-O 2.85Å; C104-I167 HydrophobicContact CB-CG1 4.22Å; C104-I167 WeakPolarHBondContact O-CA 3.45Å; C104-I168 PolarHBondContact O-N 3.34Å; C104-L183 HydrophobicContact CB-CD1 4.43Å |
| 105 | H | 97.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 112.5 | 171.1 | -63.1 | -76.9 | 0 | 0 | 0 | 110.2 | I115 T116 T118 I168 | H105-I115 CarbonylContact O-C 3.59Å; H105-I115 WeakPolarHBondContact O-CA 3.28Å; H105-T116 PolarHBondContact N-O 2.99Å; H105-T116 PolarHBondContact O-N 3.41Å; H105-T118 PolarHBondContact CD2-OG1 3.14Å; H105-T118 VanDerWaalsContact CD2-OG1 3.23Å; H105-T118 PolarHBondContact NE2-OG1 3.02Å; H105-I168 CarbonylContact C-O 3.57Å; H105-I168 WeakPolarHBondContact CA-O 3.38Å |
| 106 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 101.4 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | C104 C108 V113 I115 I167 I168 I169 S170 L183 | C104-V106 PolarHBondContact O-N 3.37Å; V106-C108 VanDerWaalsContact CG1-SG 3.55Å; V106-V113 HydrophobicContact CG1-CG1 4.28Å; V106-I115 HydrophobicContact CG1-CG1 4.44Å; V106-I115 HydrophobicContact CG2-CG1 4.38Å; V106-I115 HydrophobicContact CG2-CG2 4.45Å; V106-I167 HydrophobicContact CB-CG2 4.46Å; V106-I167 HydrophobicContact CG2-CG2 3.79Å; V106-I168 PolarHBondContact N-O 3.43Å; V106-I169 CarbonylContact O-C 3.53Å; V106-I169 WeakPolarHBondContact O-CA 3.39Å; V106-S170 PolarHBondContact O-N 2.9Å; V106-L183 HydrophobicContact CG2-CD1 4.25Å |
| 107 | K | 97.4 | Very high | 95.5 | Very high | 130 Ų | 130 | 49.9 Ų | 49.9 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 105.6 | 176.3 | -174 | 165.8 | -174.1 | 155.6 | 0 | 110.6 | V113 K114 S170 | K107-V113 WeakPolarHBondContact O-CA 3.41Å; K107-K114 HydrophobicContact CB-CB 4.39Å; K107-K114 PolarHBondContact N-O 2.96Å; K107-K114 PolarHBondContact O-N 3.34Å; K107-S170 WeakPolarHBondContact CA-OG 3.44Å |
| 108 | C | 96 | Very high | 95.8 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 89.7 | -178.5 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | V106 S170 G171 G173 R176 | V106-C108 VanDerWaalsContact CG1-SG 3.55Å; C108-S170 PolarHBondContact N-O 2.88Å; C108-G171 CarbonylContact O-C 3.58Å; C108-G173 PolarHBondContact O-N 3.33Å; C108-R176 HydrophobicContact CB-CB 4.45Å; C108-R176 VanDerWaalsContact SG-CA 3.51Å |
| 109 | S | 95 | Very high | 96 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 158.3 | 168.3 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | N111 N112 | S109-N111 PolarHBondContact O-N 2.76Å; S109-N111 VanDerWaalsContact O-N 3.08Å; S109-N112 WeakPolarHBondContact CA-O 3.38Å; S109-N112 WeakPolarHBondContact CB-O 3.42Å; S109-N112 PolarHBondContact N-O 2.98Å; S109-N112 PolarHBondContact O-N 3.42Å |
| 110 | K | 93.7 | Very high | 96.1 | Very high | 163 Ų | 163 | 45.7 Ų | 45.7 | 71% | 0.709 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.1 | 170.3 | -61.3 | -175.1 | 180 | -174.7 | 0 | 113.1 | ||
| 111 | N | 92.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -10 | -173.7 | -70.2 | -29.4 | 0 | 0 | 0 | 114.6 | S109 K140 K141 | S109-N111 PolarHBondContact O-N 2.76Å; S109-N111 VanDerWaalsContact O-N 3.08Å; N111-K140 VanDerWaalsContact O-CE 3.29Å; N111-K140 WeakPolarHBondContact O-CE 3.4Å; N111-K140 VanDerWaalsContact O-CG 3.3Å; N111-K140 WeakPolarHBondContact O-CG 3.49Å; N111-K141 HydrophobicContact CB-CD 4.45Å; N111-K141 WeakPolarHBondContact OD1-CE 3.49Å; N111-K141 PolarHBondContact OD1-NZ 3.5Å |
| 112 | N | 94.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 149.3 | -176.1 | -160.7 | 9.8 | 0 | 0 | 0 | 111.2 | S109 C130 | S109-N112 WeakPolarHBondContact CA-O 3.38Å; S109-N112 WeakPolarHBondContact CB-O 3.42Å; S109-N112 PolarHBondContact N-O 2.98Å; S109-N112 PolarHBondContact O-N 3.42Å; N112-C130 WeakPolarHBondContact OD1-CB 3.25Å |
| 113 | V | 97.5 | Very high | 96 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.3 | 162.7 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | V106 K107 I115 S129 C130 S179 | V106-V113 HydrophobicContact CG1-CG1 4.28Å; K107-V113 WeakPolarHBondContact O-CA 3.41Å; V113-I115 HydrophobicContact CG1-CG1 4.13Å; V113-S129 WeakPolarHBondContact O-CA 3.2Å; V113-S129 WeakPolarHBondContact O-CB 3.46Å; V113-C130 PolarHBondContact O-N 3.19Å; V113-S179 WeakPolarHBondContact CG1-OG 3.31Å |
| 114 | K | 97.7 | Very high | 96 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.7 | 169.2 | -55.4 | -175.9 | 177.2 | -172.8 | 0 | 108.8 | K107 | K107-K114 HydrophobicContact CB-CB 4.39Å; K107-K114 PolarHBondContact N-O 2.96Å; K107-K114 PolarHBondContact O-N 3.34Å |
| 115 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.8 | 176.1 | -55.8 | 179.8 | 0 | 0 | 0 | 107 | H105 V106 V113 Y127 T128 T149 A153 | H105-I115 CarbonylContact O-C 3.59Å; H105-I115 WeakPolarHBondContact O-CA 3.28Å; V106-I115 HydrophobicContact CG1-CG1 4.44Å; V106-I115 HydrophobicContact CG2-CG1 4.38Å; V106-I115 HydrophobicContact CG2-CG2 4.45Å; V113-I115 HydrophobicContact CG1-CG1 4.13Å; I115-Y127 WeakPolarHBondContact O-CA 3.31Å; I115-T128 PolarHBondContact N-O 2.93Å; I115-T128 PolarHBondContact O-N 3.46Å; I115-T149 HydrophobicContact CD1-CG2 4Å; I115-T149 HydrophobicContact CG1-CG2 4.16Å; I115-A153 HydrophobicContact CB-CB 4.18Å; I115-A153 HydrophobicContact CD1-CB 4.16Å; I115-A153 HydrophobicContact CG2-CB 3.81Å |
| 116 | T | 98.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 23% | 0.233 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.1 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 107.6 | C104 H105 T118 V124 L126 | C104-T116 CarbonylContact C-O 3.6Å; H105-T116 PolarHBondContact N-O 2.99Å; H105-T116 PolarHBondContact O-N 3.41Å; T116-T118 HydrophobicContact CG2-CG2 4.23Å; T116-V124 HydrophobicContact CG2-CB 4.44Å; T116-V124 HydrophobicContact CG2-CG1 3.63Å; T116-V124 HydrophobicContact CG2-CG2 4.03Å; T116-L126 WeakPolarHBondContact CA-O 3.42Å |
| 117 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.6 | 174.9 | -167.5 | 0 | 0 | 0 | 0 | 107.2 | I103 C104 I125 L126 V162 | I103-V117 CarbonylContact O-C 3.57Å; I103-V117 WeakPolarHBondContact O-CA 3.48Å; C104-V117 VanDerWaalsContact SG-CG2 3.53Å; V117-I125 PolarHBondContact O-N 3.27Å; V117-L126 HydrophobicContact CB-CD1 4.36Å; V117-L126 HydrophobicContact CB-CD2 4.04Å; V117-L126 HydrophobicContact CB-CG 3.77Å; V117-L126 HydrophobicContact CG2-CD1 3.63Å; V117-L126 HydrophobicContact CG2-CD2 3.81Å; V117-L126 HydrophobicContact CG2-CG 3.56Å; V117-L126 PolarHBondContact N-O 2.99Å; V117-L126 PolarHBondContact O-N 3.38Å; V117-V162 HydrophobicContact CG1-CG1 4.38Å |
| 118 | T | 97.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 159.3 | 178.6 | 49.2 | 0 | 0 | 0 | 0 | 110 | H102 I103 H105 T116 A123 V124 | H102-T118 WeakPolarHBondContact CA-O 3.38Å; I103-T118 PolarHBondContact N-O 3.48Å; I103-T118 PolarHBondContact O-N 3.33Å; I103-T118 PolarHBondContact O-OG1 3Å; H105-T118 PolarHBondContact CD2-OG1 3.14Å; H105-T118 VanDerWaalsContact CD2-OG1 3.23Å; H105-T118 PolarHBondContact NE2-OG1 3.02Å; T116-T118 HydrophobicContact CG2-CG2 4.23Å; T118-A123 CarbonylContact C-O 3.51Å; T118-A123 WeakPolarHBondContact CA-O 3.41Å; T118-A123 WeakPolarHBondContact CB-O 3.46Å; T118-V124 HydrophobicContact CG2-CB 4.47Å; T118-V124 HydrophobicContact CG2-CG2 3.9Å |
| 119 | D | 95.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.251 | 30% | 0.298 | S | S | . | . | trans | -73.3 | 172.4 | 163.1 | -161.5 | 9 | 0 | 0 | 0 | 111.1 | H102 H121 G122 A123 I125 | H102-D119 IonicContact CD2-OD1 2.7Å; H102-D119 IonicContact NE2-OD1 2.76Å; D119-H121 PolarHBondContact O-N 3.3Å; D119-G122 PolarHBondContact O-N 2.93Å; D119-A123 HydrophobicContact CB-CB 4.33Å; D119-A123 PolarHBondContact N-O 2.83Å; D119-I125 HydrophobicContact CB-CD1 4.45Å | ||
| 120 | N | 91.3 | Very high | 96 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.5 | 176.3 | 63.8 | 42 | 0 | 0 | 0 | 112.4 | E100 G122 | E100-N120 WeakPolarHBondContact CA-ND2 3.46Å; E100-N120 PolarHBondContact O-ND2 3.2Å; N120-G122 PolarHBondContact O-N 3.5Å |
| 121 | H | 93.6 | Very high | 96.1 | Very high | 167 Ų | 167 | 47.4 Ų | 47.4 | 77% | 0.773 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.1 | 177.1 | -62.1 | -57.3 | 0 | 0 | 0 | 113.4 | D119 | D119-H121 PolarHBondContact O-N 3.3Š|
| 122 | G | 92.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | trans | 84 | 5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D119 N120 V124 | D119-G122 PolarHBondContact O-N 2.93Å; N120-G122 PolarHBondContact O-N 3.5Å; G122-V124 PolarHBondContact O-N 2.84Å | ||
| 123 | A | 96.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | trans | -65.6 | 125.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T118 D119 I125 | T118-A123 CarbonylContact C-O 3.51Å; T118-A123 WeakPolarHBondContact CA-O 3.41Å; T118-A123 WeakPolarHBondContact CB-O 3.46Å; D119-A123 HydrophobicContact CB-CB 4.33Å; D119-A123 PolarHBondContact N-O 2.83Å; A123-I125 PolarHBondContact O-N 2.85Å | ||
| 124 | V | 97 | Very high | 96.3 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119 | -177.2 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | T116 T118 G122 | T116-V124 HydrophobicContact CG2-CB 4.44Å; T116-V124 HydrophobicContact CG2-CG1 3.63Å; T116-V124 HydrophobicContact CG2-CG2 4.03Å; T118-V124 HydrophobicContact CG2-CB 4.47Å; T118-V124 HydrophobicContact CG2-CG2 3.9Å; G122-V124 PolarHBondContact O-N 2.84Å |
| 125 | I | 95.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -59 | 175.1 | -61.2 | 176.6 | 0 | 0 | 0 | 108.3 | H102 V117 D119 A123 R160 V162 | H102-I125 WeakPolarHBondContact CD2-CD1 3.21Å; V117-I125 PolarHBondContact O-N 3.27Å; D119-I125 HydrophobicContact CB-CD1 4.45Å; A123-I125 PolarHBondContact O-N 2.85Å; I125-R160 HydrophobicContact CG2-CB 4.46Å; I125-R160 VanDerWaalsContact CG2-NH1 3.34Å; I125-R160 PolarHBondContact O-NH1 2.76Å; I125-R160 PolarHBondContact O-NH2 2.7Å; I125-R160 VanDerWaalsContact O-NH2 3.15Å; I125-V162 HydrophobicContact CD1-CG2 4.25Å |
| 126 | L | 96 | Very high | 96.1 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155.7 | -178.6 | 73.5 | 98.1 | 0 | 0 | 0 | 111.1 | T116 V117 T128 K156 A157 | T116-L126 WeakPolarHBondContact CA-O 3.42Å; V117-L126 HydrophobicContact CB-CD1 4.36Å; V117-L126 HydrophobicContact CB-CD2 4.04Å; V117-L126 HydrophobicContact CB-CG 3.77Å; V117-L126 HydrophobicContact CG2-CD1 3.63Å; V117-L126 HydrophobicContact CG2-CD2 3.81Å; V117-L126 HydrophobicContact CG2-CG 3.56Å; V117-L126 PolarHBondContact N-O 2.99Å; V117-L126 PolarHBondContact O-N 3.38Å; L126-T128 HydrophobicContact CD1-CG2 4.31Å; L126-K156 HydrophobicContact CD1-CB 4.26Å; L126-K156 HydrophobicContact CD2-CB 4.15Å; L126-A157 HydrophobicContact CD2-CB 3.9Å |
| 127 | Y | 97 | Very high | 96 | Very high | 165 Ų | 165 | 59.5 Ų | 59.5 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144 | 170.6 | 78.1 | -85.9 | 0 | 0 | 0 | 109.9 | I115 V132 | I115-Y127 WeakPolarHBondContact O-CA 3.31Å; Y127-V132 HydrophobicContact CE2-CG2 4.38Å |
| 128 | T | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.6 | 170.4 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | I115 L126 A153 K156 | I115-T128 PolarHBondContact N-O 2.93Å; I115-T128 PolarHBondContact O-N 3.46Å; L126-T128 HydrophobicContact CD1-CG2 4.31Å; T128-A153 WeakPolarHBondContact OG1-CB 3.4Å; T128-K156 HydrophobicContact CG2-CD 3.53Å; T128-K156 VanDerWaalsContact CG2-NZ 3.32Å |
| 129 | S | 97.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 72.2 Ų | 72.2 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.2 | 172.6 | 67.9 | 0 | 0 | 0 | 0 | 109.3 | V113 G131 V132 E133 | V113-S129 WeakPolarHBondContact O-CA 3.2Å; V113-S129 WeakPolarHBondContact O-CB 3.46Å; S129-G131 PolarHBondContact O-N 2.86Å; S129-V132 PolarHBondContact O-N 3.46Å; S129-E133 PolarHBondContact O-N 3.32Å |
| 130 | C | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33.8 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | N112 V113 G134 F135 K140 A145 T149 | N112-C130 WeakPolarHBondContact OD1-CB 3.25Å; V113-C130 PolarHBondContact O-N 3.19Å; C130-G134 PolarHBondContact O-N 3.16Å; C130-F135 HydrophobicContact CB-CB 4.25Å; C130-F135 VanDerWaalsContact O-CB 3.29Å; C130-F135 WeakPolarHBondContact O-CB 3.42Å; C130-F135 WeakPolarHBondContact O-CD2 3.43Å; C130-F135 PolarHBondContact O-N 3.39Å; C130-K140 HydrophobicContact CB-CB 3.74Å; C130-K140 PolarHBondContact SG-O 3.38Å; C130-K140 VanDerWaalsContact SG-O 3.42Å; C130-A145 HydrophobicContact CB-CB 4.06Å; C130-T149 VanDerWaalsContact CA-OG1 3.25Å; C130-T149 WeakPolarHBondContact CA-OG1 3.38Å; C130-T149 PolarHBondContact N-OG1 3.4Å; C130-T149 PolarHBondContact SG-OG1 2.59Å |
| 131 | G | 96.4 | Very high | 95.8 | Very high | 40 Ų | 40 | 74.7 Ų | 74.7 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S129 G134 | S129-G131 PolarHBondContact O-N 2.86Å; G131-G134 PolarHBondContact O-N 3Å |
| 132 | V | 96.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -36.8 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | Y127 S129 G134 | Y127-V132 HydrophobicContact CE2-CG2 4.38Å; S129-V132 PolarHBondContact O-N 3.46Å; V132-G134 PolarHBondContact O-N 2.96Å; V132-G134 VanDerWaalsContact O-N 3.16Å |
| 133 | E | 95.8 | Very high | 96 | Very high | 64 Ų | 64 | 73.2 Ų | 73.2 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 8.9 | 174.7 | -56 | -53.5 | 142.3 | 0 | 0 | 113 | S129 F135 A152 K156 | S129-E133 PolarHBondContact O-N 3.32Å; E133-F135 HydrophobicContact CB-CD2 4.22Å; E133-F135 HydrophobicContact CB-CE2 4.3Å; E133-A152 HydrophobicContact CG-CB 4Å; E133-A152 WeakPolarHBondContact OE1-CB 3.35Å; E133-A152 VanDerWaalsContact OE2-CB 3.31Å; E133-A152 WeakPolarHBondContact OE2-CB 3.38Å; E133-K156 IonicContact OE1-NZ 4Å; E133-K156 PolarHBondContact OE1-NZ 2.77Å |
| 134 | G | 96.4 | Very high | 96 | Very high | 49 Ų | 49 | 75.1 Ų | 75.1 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -0.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C130 G131 V132 K136 | C130-G134 PolarHBondContact O-N 3.16Å; G131-G134 PolarHBondContact O-N 3Å; V132-G134 PolarHBondContact O-N 2.96Å; V132-G134 VanDerWaalsContact O-N 3.16Å; G134-K136 PolarHBondContact O-N 3.49Å |
| 135 | F | 97.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 70.7 Ų | 70.7 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | trans | -74.5 | 118 | 175.5 | -62.2 | -89.1 | 0 | 0 | 0 | 111.1 | C130 E133 R139 K140 A145 A148 | C130-F135 HydrophobicContact CB-CB 4.25Å; C130-F135 VanDerWaalsContact O-CB 3.29Å; C130-F135 WeakPolarHBondContact O-CB 3.42Å; C130-F135 WeakPolarHBondContact O-CD2 3.43Å; C130-F135 PolarHBondContact O-N 3.39Å; E133-F135 HydrophobicContact CB-CD2 4.22Å; E133-F135 HydrophobicContact CB-CE2 4.3Å; F135-R139 HydrophobicContact CD1-CB 4.17Å; F135-K140 HydrophobicContact CB-CB 3.81Å; F135-K140 WeakPolarHBondContact O-CB 3.42Å; F135-A145 HydrophobicContact CB-CB 4.16Å; F135-A145 HydrophobicContact CD1-CB 3.69Å; F135-A145 HydrophobicContact CD2-CB 3.73Å; F135-A145 HydrophobicContact CE1-CB 3.94Å; F135-A145 HydrophobicContact CE2-CB 3.99Å; F135-A145 HydrophobicContact CG-CB 3.58Å; F135-A145 HydrophobicContact CZ-CB 4.09Å; F135-A148 HydrophobicContact CE2-CB 3.73Å; F135-A148 HydrophobicContact CZ-CB 3.94Å | ||
| 136 | K | 95.6 | Very high | 96.2 | Very high | 158 Ų | 158 | 68.9 Ų | 68.9 | 69% | 0.687 | 36% | 0.359 | S | S | * | . | trans | -104.9 | 153.9 | 179.8 | -61.7 | -179.3 | -176.9 | 179.3 | 0 | 111.9 | G134 C138 R139 | G134-K136 PolarHBondContact O-N 3.49Å; K136-C138 PolarHBondContact O-N 3.16Å; K136-R139 WeakPolarHBondContact O-CB 3.47Å; K136-R139 PolarHBondContact O-N 3.44Å | ||
| 137 | N | 95.3 | Very high | 96.3 | Very high | 131 Ų | 131 | 72 Ų | 72 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | 50.2 | -123.4 | 171.1 | -59.2 | -22.6 | 0 | 0 | 0 | 114.1 | R139 K140 | N137-R139 VanDerWaalsContact C-N 3.26Å; N137-R139 PolarHBondContact O-N 3.42Å; N137-K140 WeakPolarHBondContact O-CG 3.34Å |
| 138 | C | 94 | Very high | 96.3 | Very high | 98 Ų | 98 | 65.8 Ų | 65.8 | 66% | 0.662 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.9 | -28.6 | -178.3 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | K136 K140 K141 | K136-C138 PolarHBondContact O-N 3.16Å; C138-K140 VanDerWaalsContact C-N 3.28Å; C138-K140 PolarHBondContact O-N 2.95Å; C138-K141 PolarHBondContact O-N 3.29Å |
| 139 | R | 94.8 | Very high | 96.4 | Very high | 173 Ų | 173 | 65.7 Ų | 65.7 | 65% | 0.653 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.9 | -26.4 | -176.5 | -61.3 | 178.6 | 66.2 | -176.1 | -0.1 | 112.9 | F135 K136 N137 K141 T142 A145 | F135-R139 HydrophobicContact CD1-CB 4.17Å; K136-R139 WeakPolarHBondContact O-CB 3.47Å; K136-R139 PolarHBondContact O-N 3.44Å; N137-R139 VanDerWaalsContact C-N 3.26Å; N137-R139 PolarHBondContact O-N 3.42Å; R139-K141 PolarHBondContact O-N 2.89Å; R139-T142 PolarHBondContact O-N 2.84Å; R139-T142 PolarHBondContact O-OG1 3.31Å; R139-A145 WeakPolarHBondContact O-CB 3.45Å |
| 140 | K | 95.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -75 | -11.1 | -179.7 | 87.4 | -167.5 | 173.7 | 178.1 | 0 | 114 | N111 C130 F135 N137 C138 | N111-K140 VanDerWaalsContact O-CE 3.29Å; N111-K140 WeakPolarHBondContact O-CE 3.4Å; N111-K140 VanDerWaalsContact O-CG 3.3Å; N111-K140 WeakPolarHBondContact O-CG 3.49Å; C130-K140 HydrophobicContact CB-CB 3.74Å; C130-K140 PolarHBondContact SG-O 3.38Å; C130-K140 VanDerWaalsContact SG-O 3.42Å; F135-K140 HydrophobicContact CB-CB 3.81Å; F135-K140 WeakPolarHBondContact O-CB 3.42Å; N137-K140 WeakPolarHBondContact O-CG 3.34Å; C138-K140 VanDerWaalsContact C-N 3.28Å; C138-K140 PolarHBondContact O-N 2.95Å |
| 141 | K | 93.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 67.2 Ų | 67.2 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -90.4 | -5.5 | -178.9 | -46.4 | -168.9 | -179.3 | -175.2 | 0 | 112.8 | N111 C138 R139 P174 | N111-K141 HydrophobicContact CB-CD 4.45Å; N111-K141 WeakPolarHBondContact OD1-CE 3.49Å; N111-K141 PolarHBondContact OD1-NZ 3.5Å; C138-K141 PolarHBondContact O-N 3.29Å; R139-K141 PolarHBondContact O-N 2.89Å; K141-P174 WeakPolarHBondContact O-CG 3.46Å |
| 142 | T | 95.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 66 Ų | 66 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -86.1 | 158.8 | -173.9 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | R139 V144 A145 G146 | R139-T142 PolarHBondContact O-N 2.84Å; R139-T142 PolarHBondContact O-OG1 3.31Å; T142-V144 VanDerWaalsContact C-N 3.3Å; T142-V144 PolarHBondContact O-N 3.2Å; T142-A145 PolarHBondContact O-N 3.42Å; T142-A145 PolarHBondContact OG1-N 2.72Å; T142-G146 PolarHBondContact O-N 3.04Å |
| 143 | E | 96.2 | Very high | 96.6 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177.5 | -60.1 | -176 | -173.2 | 0 | 0 | 112.1 | A145 G146 Q147 P174 S178 | E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.2Å; E143-G146 CarbonylContact O-C 3.46Å; E143-G146 WeakPolarHBondContact O-CA 3.35Å; E143-G146 PolarHBondContact O-N 2.8Å; E143-Q147 PolarHBondContact O-N 2.87Å; E143-P174 HydrophobicContact CG-CB 4.06Å; E143-S178 VanDerWaalsContact O-CB 3.25Å; E143-S178 WeakPolarHBondContact O-CB 3.38Å; E143-S178 PolarHBondContact O-OG 3.28Å |
| 144 | V | 96.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 111 | T142 G146 Q147 A148 | T142-V144 VanDerWaalsContact C-N 3.3Å; T142-V144 PolarHBondContact O-N 3.2Å; V144-G146 VanDerWaalsContact C-N 3.34Å; V144-Q147 PolarHBondContact O-N 2.8Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.88Å |
| 145 | A | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | C130 F135 R139 T142 E143 T149 | C130-A145 HydrophobicContact CB-CB 4.06Å; F135-A145 HydrophobicContact CB-CB 4.16Å; F135-A145 HydrophobicContact CD1-CB 3.69Å; F135-A145 HydrophobicContact CD2-CB 3.73Å; F135-A145 HydrophobicContact CE1-CB 3.94Å; F135-A145 HydrophobicContact CE2-CB 3.99Å; F135-A145 HydrophobicContact CG-CB 3.58Å; F135-A145 HydrophobicContact CZ-CB 4.09Å; R139-A145 WeakPolarHBondContact O-CB 3.45Å; T142-A145 PolarHBondContact O-N 3.42Å; T142-A145 PolarHBondContact OG1-N 2.72Å; E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.2Å; A145-T149 WeakPolarHBondContact O-CB 3.25Å; A145-T149 PolarHBondContact O-N 3.04Å; A145-T149 PolarHBondContact O-OG1 3.24Å |
| 146 | G | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T142 E143 V144 T149 G150 | T142-G146 PolarHBondContact O-N 3.04Å; E143-G146 CarbonylContact O-C 3.46Å; E143-G146 WeakPolarHBondContact O-CA 3.35Å; E143-G146 PolarHBondContact O-N 2.8Å; V144-G146 VanDerWaalsContact C-N 3.34Å; G146-T149 PolarHBondContact O-N 3.39Å; G146-G150 PolarHBondContact O-N 3.31Å |
| 147 | Q | 97.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 177.4 | -169.7 | 176.9 | -0.3 | 0 | 0 | 112.1 | E143 V144 T149 G150 I151 S178 | E143-Q147 PolarHBondContact O-N 2.87Å; V144-Q147 PolarHBondContact O-N 2.8Å; Q147-T149 VanDerWaalsContact C-N 3.31Å; Q147-T149 PolarHBondContact O-N 3.29Å; Q147-G150 PolarHBondContact O-N 3.38Å; Q147-G150 VanDerWaalsContact O-N 3.14Å; Q147-I151 HydrophobicContact CG-CD1 4.32Å; Q147-I151 WeakPolarHBondContact O-CG1 3.15Å; Q147-I151 PolarHBondContact O-N 3.37Å; Q147-S178 WeakPolarHBondContact CA-O 3.46Å |
| 148 | A | 98 | Very high | 96.8 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F135 V144 G150 I151 A152 | F135-A148 HydrophobicContact CE2-CB 3.73Å; F135-A148 HydrophobicContact CZ-CB 3.94Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.88Å; A148-G150 VanDerWaalsContact C-N 3.34Å; A148-G150 PolarHBondContact O-N 3.26Å; A148-I151 PolarHBondContact O-N 2.81Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 2.89Å |
| 149 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | I115 C130 A145 G146 Q147 A153 | I115-T149 HydrophobicContact CD1-CG2 4Å; I115-T149 HydrophobicContact CG1-CG2 4.16Å; C130-T149 VanDerWaalsContact CA-OG1 3.25Å; C130-T149 WeakPolarHBondContact CA-OG1 3.38Å; C130-T149 PolarHBondContact N-OG1 3.4Å; C130-T149 PolarHBondContact SG-OG1 2.59Å; A145-T149 WeakPolarHBondContact O-CB 3.25Å; A145-T149 PolarHBondContact O-N 3.04Å; A145-T149 PolarHBondContact O-OG1 3.24Å; G146-T149 PolarHBondContact O-N 3.39Å; Q147-T149 VanDerWaalsContact C-N 3.31Å; Q147-T149 PolarHBondContact O-N 3.29Å; T149-A153 VanDerWaalsContact O-CB 3.25Å; T149-A153 WeakPolarHBondContact O-CB 3.41Å; T149-A153 PolarHBondContact O-N 3.44Å |
| 150 | G | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G146 Q147 A148 A153 G154 G182 | G146-G150 PolarHBondContact O-N 3.31Å; Q147-G150 PolarHBondContact O-N 3.38Å; Q147-G150 VanDerWaalsContact O-N 3.14Å; A148-G150 VanDerWaalsContact C-N 3.34Å; A148-G150 PolarHBondContact O-N 3.26Å; G150-A153 PolarHBondContact O-N 3.49Å; G150-G154 PolarHBondContact O-N 3.38Å; G150-G182 VanDerWaalsContact C-C 3.47Å; G150-G182 CarbonylContact C-O 3.57Å |
| 151 | I | 98.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 178.1 | -65.8 | 168.7 | 0 | 0 | 0 | 110.4 | Q147 A148 A153 G154 M155 G182 L185 | Q147-I151 HydrophobicContact CG-CD1 4.32Å; Q147-I151 WeakPolarHBondContact O-CG1 3.15Å; Q147-I151 PolarHBondContact O-N 3.37Å; A148-I151 PolarHBondContact O-N 2.81Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-A153 PolarHBondContact O-N 3.22Å; I151-G154 PolarHBondContact O-N 3.42Å; I151-M155 HydrophobicContact CG2-CE 3.61Å; I151-M155 HydrophobicContact CG2-CG 4.46Å; I151-M155 HydrophobicContact CG2-SD 4.07Å; I151-M155 WeakPolarHBondContact O-CG 3.31Å; I151-M155 PolarHBondContact O-N 2.98Å; I151-G182 WeakPolarHBondContact CA-O 3.35Å; I151-G182 WeakPolarHBondContact CG1-O 3.14Å; I151-G182 PolarHBondContact N-O 3.27Å; I151-L185 HydrophobicContact CD1-CD1 4.47Å; I151-L185 HydrophobicContact CG1-CB 4.34Å |
| 152 | A | 98 | Very high | 96.9 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | E133 A148 K156 | E133-A152 HydrophobicContact CG-CB 4Å; E133-A152 WeakPolarHBondContact OE1-CB 3.35Å; E133-A152 VanDerWaalsContact OE2-CB 3.31Å; E133-A152 WeakPolarHBondContact OE2-CB 3.38Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 2.89Å; A152-K156 WeakPolarHBondContact O-CB 3.39Å; A152-K156 WeakPolarHBondContact O-CD 3.34Å; A152-K156 VanDerWaalsContact O-CG 3.24Å; A152-K156 WeakPolarHBondContact O-CG 3.25Å; A152-K156 PolarHBondContact O-N 2.78Å |
| 153 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I115 T128 T149 G150 I151 K156 A157 L183 | I115-A153 HydrophobicContact CB-CB 4.18Å; I115-A153 HydrophobicContact CD1-CB 4.16Å; I115-A153 HydrophobicContact CG2-CB 3.81Å; T128-A153 WeakPolarHBondContact OG1-CB 3.4Å; T149-A153 VanDerWaalsContact O-CB 3.25Å; T149-A153 WeakPolarHBondContact O-CB 3.41Å; T149-A153 PolarHBondContact O-N 3.44Å; G150-A153 PolarHBondContact O-N 3.49Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-A153 PolarHBondContact O-N 3.22Å; A153-K156 PolarHBondContact O-N 3.01Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.31Å; A153-L183 HydrophobicContact CB-CD2 4Å |
| 154 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | G150 I151 K156 A157 L158 | G150-G154 PolarHBondContact O-N 3.38Å; I151-G154 PolarHBondContact O-N 3.42Å; G154-K156 PolarHBondContact O-N 3.22Å; G154-A157 WeakPolarHBondContact O-CB 3.3Å; G154-A157 PolarHBondContact O-N 3.32Å; G154-L158 WeakPolarHBondContact O-CG 3.36Å; G154-L158 PolarHBondContact O-N 3.46Å |
| 155 | M | 97.1 | Very high | 96.7 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 47% | 0.468 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -42 | 174.2 | -71 | 178.7 | 175.7 | 0 | 0 | 112.3 | I151 A157 R159 A186 | I151-M155 HydrophobicContact CG2-CE 3.61Å; I151-M155 HydrophobicContact CG2-CG 4.46Å; I151-M155 HydrophobicContact CG2-SD 4.07Å; I151-M155 WeakPolarHBondContact O-CG 3.31Å; I151-M155 PolarHBondContact O-N 2.98Å; M155-A157 VanDerWaalsContact C-N 3.34Å; M155-R159 WeakPolarHBondContact O-CG 3.34Å; M155-R159 PolarHBondContact O-N 2.94Å; M155-A186 HydrophobicContact CG-CB 4.46Å |
| 156 | K | 97.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67 | -35.4 | 175.9 | -72.9 | 165.6 | -175.7 | 167.1 | 0 | 111.8 | L126 T128 E133 A152 A153 G154 R160 | L126-K156 HydrophobicContact CD1-CB 4.26Å; L126-K156 HydrophobicContact CD2-CB 4.15Å; T128-K156 HydrophobicContact CG2-CD 3.53Å; T128-K156 VanDerWaalsContact CG2-NZ 3.32Å; E133-K156 IonicContact OE1-NZ 4Å; E133-K156 PolarHBondContact OE1-NZ 2.77Å; A152-K156 WeakPolarHBondContact O-CB 3.39Å; A152-K156 WeakPolarHBondContact O-CD 3.34Å; A152-K156 VanDerWaalsContact O-CG 3.24Å; A152-K156 WeakPolarHBondContact O-CG 3.25Å; A152-K156 PolarHBondContact O-N 2.78Å; A153-K156 PolarHBondContact O-N 3.01Å; G154-K156 PolarHBondContact O-N 3.22Å; K156-R160 PolarHBondContact O-N 3.29Å |
| 157 | A | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -46.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L126 A153 G154 M155 R159 R160 G161 V162 V188 | L126-A157 HydrophobicContact CD2-CB 3.9Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.31Å; G154-A157 WeakPolarHBondContact O-CB 3.3Å; G154-A157 PolarHBondContact O-N 3.32Å; M155-A157 VanDerWaalsContact C-N 3.34Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 2.92Å; A157-R160 CarbonylContact O-C 3.56Å; A157-R160 WeakPolarHBondContact O-CA 3.41Å; A157-R160 PolarHBondContact O-N 3.35Å; A157-G161 PolarHBondContact O-N 3.44Å; A157-V162 HydrophobicContact CB-CB 4.1Å; A157-V162 HydrophobicContact CB-CG1 4.48Å; A157-V162 PolarHBondContact O-N 3.49Å; A157-V188 HydrophobicContact CB-CG2 4.46Å |
| 158 | L | 96.6 | Very high | 96.5 | Very high | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -39.2 | 177.4 | -72 | 173 | 0 | 0 | 0 | 112.3 | G154 R160 G161 A186 V188 | G154-L158 WeakPolarHBondContact O-CG 3.36Å; G154-L158 PolarHBondContact O-N 3.46Å; L158-R160 PolarHBondContact O-N 2.75Å; L158-G161 PolarHBondContact O-N 3.4Å; L158-A186 WeakPolarHBondContact CD1-O 3.46Å; L158-V188 HydrophobicContact CD2-CG2 4.37Å; L158-V188 HydrophobicContact CG-CG2 4.09Å |
| 159 | R | 96.2 | Very high | 96.5 | Very high | 204 Ų | 204 | 44.8 Ų | 44.8 | 77% | 0.77 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.9 | -26.3 | 174.5 | -73 | 175 | -171.1 | 170.4 | 3.3 | 113.4 | M155 A157 | M155-R159 WeakPolarHBondContact O-CG 3.34Å; M155-R159 PolarHBondContact O-N 2.94Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 2.92Å |
| 160 | R | 94.6 | Very high | 96.4 | Very high | 156 Ų | 156 | 46 Ų | 46 | 59% | 0.589 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3.8 | 175.9 | -65.1 | -175.3 | 177.6 | -142.9 | 12.9 | 113.2 | I125 K156 A157 L158 | I125-R160 HydrophobicContact CG2-CB 4.46Å; I125-R160 VanDerWaalsContact CG2-NH1 3.34Å; I125-R160 PolarHBondContact O-NH1 2.76Å; I125-R160 PolarHBondContact O-NH2 2.7Å; I125-R160 VanDerWaalsContact O-NH2 3.15Å; K156-R160 PolarHBondContact O-N 3.29Å; A157-R160 CarbonylContact O-C 3.56Å; A157-R160 WeakPolarHBondContact O-CA 3.41Å; A157-R160 PolarHBondContact O-N 3.35Å; L158-R160 PolarHBondContact O-N 2.75Å |
| 161 | G | 93.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 54% | 0.536 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 6.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A157 L158 K163 | A157-G161 PolarHBondContact O-N 3.44Å; L158-G161 PolarHBondContact O-N 3.4Å; G161-K163 PolarHBondContact O-N 2.93Å |
| 162 | V | 94.9 | Very high | 96 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -80.9 | 104.9 | 178 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | H102 V117 I125 A157 V165 | H102-V162 HydrophobicContact CB-CG1 3.78Å; V117-V162 HydrophobicContact CG1-CG1 4.38Å; I125-V162 HydrophobicContact CD1-CG2 4.25Å; A157-V162 HydrophobicContact CB-CB 4.1Å; A157-V162 HydrophobicContact CB-CG1 4.48Å; A157-V162 PolarHBondContact O-N 3.49Å; V162-V165 HydrophobicContact CG1-CG2 3.63Å | ||
| 163 | K | 93.3 | Very high | 95.8 | Very high | 146 Ų | 146 | 50.2 Ų | 50.2 | 64% | 0.635 | 25% | 0.246 | S | C | * | . | trans | -99 | -40.5 | -180 | -63 | 179.3 | -177.6 | 177.8 | 0 | 113.4 | G161 Q189 | G161-K163 PolarHBondContact O-N 2.93Å; K163-Q189 PolarHBondContact O-N 3.39Å | ||
| 164 | N | 94.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.1 | -173.1 | -63.4 | -45.4 | 0 | 0 | 0 | 109.8 | N94 I96 M101 I191 | N94-N164 PolarHBondContact ND2-OD1 3.39Å; I96-N164 HydrophobicContact CD1-CB 4.38Å; I96-N164 WeakPolarHBondContact CD1-ND2 3.24Å; M101-N164 HydrophobicContact CE-CB 4.39Å; M101-N164 HydrophobicContact CG-CB 4.07Å; M101-N164 WeakPolarHBondContact CG-O 3.4Å; M101-N164 HydrophobicContact SD-CB 4.03Å; N164-I191 HydrophobicContact CB-CD1 3.72Å |
| 165 | V | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.4 | -172.8 | 165.8 | 0 | 0 | 0 | 0 | 112 | H102 C104 V162 I167 V188 Q189 I191 | H102-V165 HydrophobicContact CB-CG2 4.46Å; H102-V165 WeakPolarHBondContact O-CA 3.49Å; C104-V165 HydrophobicContact CB-CG1 3.33Å; C104-V165 WeakPolarHBondContact SG-CG1 3.4Å; V162-V165 HydrophobicContact CG1-CG2 3.63Å; V165-I167 HydrophobicContact CG1-CG1 4.06Å; V165-V188 HydrophobicContact CB-CG1 3.81Å; V165-V188 HydrophobicContact CG2-CG1 3.51Å; V165-Q189 PolarHBondContact N-O 3.3Å; V165-I191 PolarHBondContact O-N 3.25Å |
| 166 | R | 95.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.7 | 163.4 | -67.6 | 178.6 | -72.8 | 176.2 | -6.3 | 110.1 | F98 E99 M101 H102 I103 C104 | F98-R166 HydrophobicContact CD2-CG 4.38Å; F98-R166 HydrophobicContact CE2-CG 3.85Å; F98-R166 HydrophobicContact CZ-CG 4.2Å; F98-R166 PolarHBondContact O-NE 2.93Å; F98-R166 VanDerWaalsContact O-NE 3.14Å; F98-R166 PolarHBondContact O-NH1 2.84Å; F98-R166 PolarHBondContact O-NH2 2.8Å; E99-R166 PolarHBondContact O-NH2 2.89Å; M101-R166 HydrophobicContact CG-CG 4.33Å; M101-R166 PolarHBondContact O-NE 2.81Å; M101-R166 PolarHBondContact O-NH2 2.88Å; M101-R166 HydrophobicContact SD-CG 3.64Å; H102-R166 PolarHBondContact O-N 3.1Å; I103-R166 CarbonylContact C-O 3.59Å; I103-R166 WeakPolarHBondContact CA-O 3.19Å; C104-R166 PolarHBondContact N-O 2.85Å |
| 167 | I | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.7 | -178.6 | -61.2 | -178.4 | 0 | 0 | 0 | 109.5 | C104 V106 V165 I169 I180 L183 V190 S192 I193 T194 | C104-I167 HydrophobicContact CB-CG1 4.22Å; C104-I167 WeakPolarHBondContact O-CA 3.45Å; V106-I167 HydrophobicContact CB-CG2 4.46Å; V106-I167 HydrophobicContact CG2-CG2 3.79Å; V165-I167 HydrophobicContact CG1-CG1 4.06Å; I167-I169 HydrophobicContact CG2-CG1 3.79Å; I167-I180 HydrophobicContact CD1-CG1 4.46Å; I167-I180 HydrophobicContact CD1-CG2 3.97Å; I167-I180 HydrophobicContact CG2-CG1 4.47Å; I167-L183 HydrophobicContact CD1-CD1 3.8Å; I167-L183 HydrophobicContact CG1-CD1 4.37Å; I167-V190 HydrophobicContact CD1-CB 4.21Å; I167-V190 HydrophobicContact CD1-CG1 3.46Å; I167-V190 VanDerWaalsContact CD1-CG1 3.46Å; I167-V190 HydrophobicContact CD1-CG2 3.69Å; I167-V190 HydrophobicContact CG1-CG1 3.95Å; I167-S192 PolarHBondContact N-O 3.04Å; I167-I193 HydrophobicContact CB-CG1 4.49Å; I167-I193 WeakPolarHBondContact O-CA 3.44Å; I167-T194 PolarHBondContact O-N 3.11Å |
| 168 | I | 96.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119 | 169.5 | -60.1 | 179.8 | 0 | 0 | 0 | 108.4 | I103 C104 H105 V106 T194 W196 | I103-I168 HydrophobicContact CG2-CB 4.45Å; I103-I168 HydrophobicContact CG2-CD1 3.59Å; I103-I168 HydrophobicContact CG2-CG1 3.85Å; C104-I168 PolarHBondContact O-N 3.34Å; H105-I168 CarbonylContact C-O 3.57Å; H105-I168 WeakPolarHBondContact CA-O 3.38Å; V106-I168 PolarHBondContact N-O 3.43Å; I168-T194 CarbonylContact C-O 3.59Å; I168-T194 WeakPolarHBondContact CA-O 3.47Å; I168-W196 HydrophobicContact CG2-CB 3.5Å; I168-W196 VanDerWaalsContact CG2-CB 3.5Å; I168-W196 HydrophobicContact CG2-CE3 4.28Å; I168-W196 HydrophobicContact CG2-CG 4.39Å |
| 169 | I | 97.5 | Very high | 95.4 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.6 | -177.4 | -50.2 | 163.8 | 0 | 0 | 0 | 109.7 | V106 I167 R176 I180 I193 T194 W196 | V106-I169 CarbonylContact O-C 3.53Å; V106-I169 WeakPolarHBondContact O-CA 3.39Å; I167-I169 HydrophobicContact CG2-CG1 3.79Å; I169-R176 HydrophobicContact CD1-CG 4.47Å; I169-R176 HydrophobicContact CG2-CG 3.66Å; I169-R176 VanDerWaalsContact CG2-NE 3.28Å; I169-I180 HydrophobicContact CD1-CD1 3.39Å; I169-I180 HydrophobicContact CD1-CG1 4.18Å; I169-I180 HydrophobicContact CG1-CD1 4.32Å; I169-I193 HydrophobicContact CD1-CG2 3.44Å; I169-I193 VanDerWaalsContact CD1-CG2 3.44Å; I169-I193 HydrophobicContact CG1-CG2 4.28Å; I169-T194 PolarHBondContact N-O 2.9Å; I169-W196 CarbonylContact O-C 3.35Å; I169-W196 PolarHBondContact O-N 2.75Å |
| 170 | S | 96.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.2 | 172.9 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | V106 K107 C108 W196 | V106-S170 PolarHBondContact O-N 2.9Å; K107-S170 WeakPolarHBondContact CA-OG 3.44Å; C108-S170 PolarHBondContact N-O 2.88Å; S170-W196 WeakPolarHBondContact CA-O 3.36Å; S170-W196 WeakPolarHBondContact CB-O 3.47Å |
| 171 | G | 94.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 87.6 | 157.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C108 R176 T197 | C108-G171 CarbonylContact O-C 3.58Å; G171-R176 PolarHBondContact O-NE 3.26Å; G171-T197 PolarHBondContact N-OG1 2.63Å |
| 172 | L | 93.3 | Very high | 95.8 | Very high | 127 Ų | 127 | 39 Ų | 39 | 67% | 0.665 | 19% | 0.192 | S | C | * | . | trans | -104.2 | 49.1 | -175.1 | -81.5 | 65.8 | 0 | 0 | 0 | 111.9 | T197 | L172-T197 HydrophobicContact CD1-CG2 4.36Š| ||
| 173 | G | 95 | Very high | 95.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | trans | -78.5 | 160.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C108 G175 R176 | C108-G173 PolarHBondContact O-N 3.33Å; G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 3.37Å; G173-R176 WeakPolarHBondContact O-CB 3.41Å; G173-R176 PolarHBondContact O-N 3.39Å | ||
| 174 | P | 94.6 | Very high | 96 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 38% | 0.377 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -34 | 180 | 26.2 | -35.1 | 0 | 0 | 0 | 112.4 | K141 E143 R176 | K141-P174 WeakPolarHBondContact O-CG 3.46Å; E143-P174 HydrophobicContact CG-CB 4.06Å; P174-R176 PolarHBondContact O-N 3.05Å |
| 175 | G | 95 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 14.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | G173 S178 S179 | G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 3.37Å; G175-S178 WeakPolarHBondContact CA-OG 2.97Å; G175-S178 PolarHBondContact O-OG 3.08Å; G175-S179 VanDerWaalsContact O-CB 3.31Å; G175-S179 WeakPolarHBondContact O-CB 3.29Å; G175-S179 PolarHBondContact O-N 3.4Å; G175-S179 PolarHBondContact O-OG 3.15Å |
| 176 | R | 95.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -66 | -174.2 | -159.4 | -178.6 | -152.1 | 173.8 | 10.3 | 112.7 | C108 I169 G171 G173 P174 D195 | C108-R176 HydrophobicContact CB-CB 4.45Å; C108-R176 VanDerWaalsContact SG-CA 3.51Å; I169-R176 HydrophobicContact CD1-CG 4.47Å; I169-R176 HydrophobicContact CG2-CG 3.66Å; I169-R176 VanDerWaalsContact CG2-NE 3.28Å; G171-R176 PolarHBondContact O-NE 3.26Å; G173-R176 WeakPolarHBondContact O-CB 3.41Å; G173-R176 PolarHBondContact O-N 3.39Å; P174-R176 PolarHBondContact O-N 3.05Å; R176-D195 IonicContact CZ-OD1 2.81Å; R176-D195 IonicContact CZ-OD2 3.92Å; R176-D195 IonicContact NH1-OD2 3.4Å; R176-D195 PolarHBondContact NH1-OD2 2.97Å; R176-D195 IonicContact NH2-OD1 3.93Å; R176-D195 PolarHBondContact NH2-OD1 3.05Å; R176-D195 IonicContact NH2-OD2 3.49Å; R176-D195 PolarHBondContact NH2-OD2 2.72Å |
| 177 | M | 95.1 | Very high | 96.1 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.1 | -33.9 | -177 | -65.6 | -57.2 | -69.7 | 0 | 0 | 111.9 | S179 I180 R181 | M177-S179 VanDerWaalsContact C-N 3.33Å; M177-S179 PolarHBondContact O-N 3.01Å; M177-I180 PolarHBondContact O-N 2.67Å; M177-I180 HydrophobicContact SD-CD1 4.1Å; M177-R181 WeakPolarHBondContact O-CG 3.41Å; M177-R181 PolarHBondContact O-N 3.3Å |
| 178 | S | 96.9 | Very high | 96 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | -180 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | E143 Q147 G175 R181 G182 | E143-S178 VanDerWaalsContact O-CB 3.25Å; E143-S178 WeakPolarHBondContact O-CB 3.38Å; E143-S178 PolarHBondContact O-OG 3.28Å; Q147-S178 WeakPolarHBondContact CA-O 3.46Å; G175-S178 WeakPolarHBondContact CA-OG 2.97Å; G175-S178 PolarHBondContact O-OG 3.08Å; S178-R181 PolarHBondContact O-N 3.39Å; S178-G182 PolarHBondContact O-N 3.49Å |
| 179 | S | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | V113 G175 M177 G182 L183 | V113-S179 WeakPolarHBondContact CG1-OG 3.31Å; G175-S179 VanDerWaalsContact O-CB 3.31Å; G175-S179 WeakPolarHBondContact O-CB 3.29Å; G175-S179 PolarHBondContact O-N 3.4Å; G175-S179 PolarHBondContact O-OG 3.15Å; M177-S179 VanDerWaalsContact C-N 3.33Å; M177-S179 PolarHBondContact O-N 3.01Å; S179-G182 PolarHBondContact O-N 3.49Å; S179-L183 PolarHBondContact O-N 2.78Å |
| 180 | I | 97.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 176.2 | -58 | 163.7 | 0 | 0 | 0 | 110 | I167 I169 M177 G182 L183 A184 I193 | I167-I180 HydrophobicContact CD1-CG1 4.46Å; I167-I180 HydrophobicContact CD1-CG2 3.97Å; I167-I180 HydrophobicContact CG2-CG1 4.47Å; I169-I180 HydrophobicContact CD1-CD1 3.39Å; I169-I180 HydrophobicContact CD1-CG1 4.18Å; I169-I180 HydrophobicContact CG1-CD1 4.32Å; M177-I180 PolarHBondContact O-N 2.67Å; M177-I180 HydrophobicContact SD-CD1 4.1Å; I180-G182 VanDerWaalsContact C-N 3.28Å; I180-G182 PolarHBondContact O-N 3.42Å; I180-L183 PolarHBondContact O-N 2.97Å; I180-A184 PolarHBondContact O-N 3.41Å; I180-I193 HydrophobicContact CD1-CG2 4.3Å; I180-I193 HydrophobicContact CG2-CD1 3.87Å |
| 181 | R | 97.5 | Very high | 95.7 | Very high | 165 Ų | 165 | 47.5 Ų | 47.5 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.9 | -41.1 | 175.4 | -72.3 | 177.5 | -178.1 | 174.3 | 0.6 | 111.3 | M177 S178 L183 A184 L185 | M177-R181 WeakPolarHBondContact O-CG 3.41Å; M177-R181 PolarHBondContact O-N 3.3Å; S178-R181 PolarHBondContact O-N 3.39Å; R181-L183 PolarHBondContact O-N 2.94Å; R181-A184 PolarHBondContact O-N 3.45Å; R181-L185 WeakPolarHBondContact O-CB 3.18Å; R181-L185 VanDerWaalsContact O-CG 3.28Å; R181-L185 WeakPolarHBondContact O-CG 3.46Å; R181-L185 PolarHBondContact O-N 3.24Å |
| 182 | G | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G150 I151 S178 S179 I180 L185 A186 | G150-G182 VanDerWaalsContact C-C 3.47Å; G150-G182 CarbonylContact C-O 3.57Å; I151-G182 WeakPolarHBondContact CA-O 3.35Å; I151-G182 WeakPolarHBondContact CG1-O 3.14Å; I151-G182 PolarHBondContact N-O 3.27Å; S178-G182 PolarHBondContact O-N 3.49Å; S179-G182 PolarHBondContact O-N 3.49Å; I180-G182 VanDerWaalsContact C-N 3.28Å; I180-G182 PolarHBondContact O-N 3.42Å; G182-L185 PolarHBondContact O-N 2.83Å; G182-A186 PolarHBondContact O-N 2.71Å; G182-A186 VanDerWaalsContact O-N 3.17Å |
| 183 | L | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 174.5 | -76.8 | 167.3 | 0 | 0 | 0 | 111.8 | C104 V106 A153 I167 S179 I180 R181 A186 V188 | C104-L183 HydrophobicContact CB-CD1 4.43Å; V106-L183 HydrophobicContact CG2-CD1 4.25Å; A153-L183 HydrophobicContact CB-CD2 4Å; I167-L183 HydrophobicContact CD1-CD1 3.8Å; I167-L183 HydrophobicContact CG1-CD1 4.37Å; S179-L183 PolarHBondContact O-N 2.78Å; I180-L183 PolarHBondContact O-N 2.97Å; R181-L183 PolarHBondContact O-N 2.94Å; L183-A186 PolarHBondContact O-N 2.91Å; L183-V188 PolarHBondContact O-N 2.9Å |
| 184 | A | 96.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 45% | 0.446 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I180 R181 A186 G187 | I180-A184 PolarHBondContact O-N 3.41Å; R181-A184 PolarHBondContact O-N 3.45Å; A184-A186 VanDerWaalsContact C-N 3.26Å; A184-A186 PolarHBondContact O-N 3.47Å; A184-G187 PolarHBondContact O-N 2.72Å |
| 185 | L | 97.7 | Very high | 95.6 | Very high | 116 Ų | 116 | 50.9 Ų | 50.9 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.1 | -29.1 | 177.4 | -73.8 | 171.6 | 0 | 0 | 0 | 113.4 | I151 R181 G182 G187 | I151-L185 HydrophobicContact CD1-CD1 4.47Å; I151-L185 HydrophobicContact CG1-CB 4.34Å; R181-L185 WeakPolarHBondContact O-CB 3.18Å; R181-L185 VanDerWaalsContact O-CG 3.28Å; R181-L185 WeakPolarHBondContact O-CG 3.46Å; R181-L185 PolarHBondContact O-N 3.24Å; G182-L185 PolarHBondContact O-N 2.83Å; L185-G187 PolarHBondContact O-N 2.96Å |
| 186 | A | 95.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -15.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M155 L158 G182 L183 A184 | M155-A186 HydrophobicContact CG-CB 4.46Å; L158-A186 WeakPolarHBondContact CD1-O 3.46Å; G182-A186 PolarHBondContact O-N 2.71Å; G182-A186 VanDerWaalsContact O-N 3.17Å; L183-A186 PolarHBondContact O-N 2.91Å; A184-A186 VanDerWaalsContact C-N 3.26Å; A184-A186 PolarHBondContact O-N 3.47Å |
| 187 | G | 94.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | 12 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A184 L185 | A184-G187 PolarHBondContact O-N 2.72Å; L185-G187 PolarHBondContact O-N 2.96Å |
| 188 | V | 95.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | trans | -79 | 130.9 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | A157 L158 V165 L183 V190 | A157-V188 HydrophobicContact CB-CG2 4.46Å; L158-V188 HydrophobicContact CD2-CG2 4.37Å; L158-V188 HydrophobicContact CG-CG2 4.09Å; V165-V188 HydrophobicContact CB-CG1 3.81Å; V165-V188 HydrophobicContact CG2-CG1 3.51Å; L183-V188 PolarHBondContact O-N 2.9Å; V188-V190 PolarHBondContact O-N 3.12Å | ||
| 189 | Q | 95.4 | Very high | 94.8 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 111.5 | 177.2 | -65.7 | -67.5 | -16.2 | 0 | 0 | 109.9 | K163 V165 | K163-Q189 PolarHBondContact O-N 3.39Å; V165-Q189 PolarHBondContact N-O 3.3Å |
| 190 | V | 95.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 26% | 0.261 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.9 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | I167 V188 I193 | I167-V190 HydrophobicContact CD1-CB 4.21Å; I167-V190 HydrophobicContact CD1-CG1 3.46Å; I167-V190 VanDerWaalsContact CD1-CG1 3.46Å; I167-V190 HydrophobicContact CD1-CG2 3.69Å; I167-V190 HydrophobicContact CG1-CG1 3.95Å; V188-V190 PolarHBondContact O-N 3.12Å; V190-I193 HydrophobicContact CG1-CD1 4.25Å; V190-I193 HydrophobicContact CG1-CG1 3.85Å |
| 191 | I | 93.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 77.7 Ų | 77.7 | 23% | 0.226 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -38 | -172.6 | -72.1 | 160.4 | 0 | 0 | 0 | 112.3 | F93 M101 N164 V165 | F93-I191 HydrophobicContact CB-CD1 3.82Å; F93-I191 HydrophobicContact CB-CG1 4.49Å; F93-I191 HydrophobicContact CB-CG2 4.3Å; F93-I191 HydrophobicContact CD1-CG2 3.77Å; F93-I191 HydrophobicContact CD2-CG2 3.92Å; F93-I191 HydrophobicContact CE1-CG2 4Å; F93-I191 HydrophobicContact CE2-CG2 4.14Å; F93-I191 HydrophobicContact CG-CD1 4.45Å; F93-I191 HydrophobicContact CG-CG2 3.72Å; F93-I191 HydrophobicContact CZ-CG2 4.17Å; M101-I191 HydrophobicContact CE-CB 4.27Å; M101-I191 HydrophobicContact CE-CD1 3.26Å; M101-I191 HydrophobicContact CE-CG1 4.31Å; M101-I191 HydrophobicContact CE-CG2 4.12Å; M101-I191 HydrophobicContact SD-CB 3.98Å; M101-I191 HydrophobicContact SD-CD1 3.39Å; M101-I191 WeakPolarHBondContact SD-CD1 3.34Å; M101-I191 HydrophobicContact SD-CG1 4.22Å; M101-I191 HydrophobicContact SD-CG2 4.37Å; N164-I191 HydrophobicContact CB-CD1 3.72Å; V165-I191 PolarHBondContact O-N 3.25Å |
| 192 | S | 92.2 | Very high | 93 | Very high | 34 Ų | 34 | 78 Ų | 78 | 24% | 0.238 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.9 | 176.6 | 179 | 0 | 0 | 0 | 0 | 110.7 | I167 | I167-S192 PolarHBondContact N-O 3.04Å |
| 193 | I | 94.7 | Very high | 92.3 | Very high | 92 Ų | 92 | 79.8 Ų | 79.8 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.6 | 175.2 | -58.7 | 171.4 | 0 | 0 | 0 | 107.1 | I167 I169 I180 V190 | I167-I193 HydrophobicContact CB-CG1 4.49Å; I167-I193 WeakPolarHBondContact O-CA 3.44Å; I169-I193 HydrophobicContact CD1-CG2 3.44Å; I169-I193 VanDerWaalsContact CD1-CG2 3.44Å; I169-I193 HydrophobicContact CG1-CG2 4.28Å; I180-I193 HydrophobicContact CD1-CG2 4.3Å; I180-I193 HydrophobicContact CG2-CD1 3.87Å; V190-I193 HydrophobicContact CG1-CD1 4.25Å; V190-I193 HydrophobicContact CG1-CG1 3.85Å |
| 194 | T | 94.1 | Very high | 91.6 | Very high | 68 Ų | 68 | 84.9 Ų | 84.9 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.6 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 109.9 | I167 I168 I169 | I167-T194 PolarHBondContact O-N 3.11Å; I168-T194 CarbonylContact C-O 3.59Å; I168-T194 WeakPolarHBondContact CA-O 3.47Å; I169-T194 PolarHBondContact N-O 2.9Å |
| 195 | D | 94 | Very high | 91.4 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.2 | 169.6 | -172.9 | 2.9 | 0 | 0 | 0 | 109.9 | R176 T197 | R176-D195 IonicContact CZ-OD1 2.81Å; R176-D195 IonicContact CZ-OD2 3.92Å; R176-D195 IonicContact NH1-OD2 3.4Å; R176-D195 PolarHBondContact NH1-OD2 2.97Å; R176-D195 IonicContact NH2-OD1 3.93Å; R176-D195 PolarHBondContact NH2-OD1 3.05Å; R176-D195 IonicContact NH2-OD2 3.49Å; R176-D195 PolarHBondContact NH2-OD2 2.72Å; D195-T197 PolarHBondContact OD1-N 3.32Å; D195-T197 PolarHBondContact OD1-OG1 3.24Å |
| 196 | W | 93.7 | Very high | 91 | Very high | 169 Ų | 169 | 93.5 Ų | 93.5 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | trans | -124.6 | 74.8 | 171.2 | -171.4 | 54 | 0 | 0 | 0 | 109.6 | I168 I169 S170 P198 | I168-W196 HydrophobicContact CG2-CB 3.5Å; I168-W196 VanDerWaalsContact CG2-CB 3.5Å; I168-W196 HydrophobicContact CG2-CE3 4.28Å; I168-W196 HydrophobicContact CG2-CG 4.39Å; I169-W196 CarbonylContact O-C 3.35Å; I169-W196 PolarHBondContact O-N 2.75Å; S170-W196 WeakPolarHBondContact CA-O 3.36Å; S170-W196 WeakPolarHBondContact CB-O 3.47Å; W196-P198 WeakPolarHBondContact O-CD 3.49Å | ||
| 197 | T | 94.2 | Very high | 90.7 | Very high | 48 Ų | 48 | 103.6 Ų | 103.6 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | trans | -91.8 | 112 | 172 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | G171 L172 D195 L199 | G171-T197 PolarHBondContact N-OG1 2.63Å; L172-T197 HydrophobicContact CD1-CG2 4.36Å; D195-T197 PolarHBondContact OD1-N 3.32Å; D195-T197 PolarHBondContact OD1-OG1 3.24Å; T197-L199 PolarHBondContact O-N 3.46Å | ||
| 198 | P | 89.5 | Confident | 90.8 | Very high | 91 Ų | 91 | 109.9 Ų | 109.9 | 59% | 0.591 | 56% | 0.559 | S | S | * | * | trans | -67.1 | 131.2 | -175.8 | 26.7 | -34.3 | 0 | 0 | 0 | 110.9 | W196 | W196-P198 WeakPolarHBondContact O-CD 3.49Š| ||
| 199 | L | 87.1 | Confident | 90.6 | Very high | 161 Ų | 161 | 118 Ų | 118 | 84% | 0.843 | 60% | 0.596 | S | S | * | * | trans | -101.2 | 115.9 | 170.7 | -68.4 | 172.9 | 0 | 0 | 0 | 108.5 | T197 E201 | T197-L199 PolarHBondContact O-N 3.46Å; L199-E201 PolarHBondContact O-N 3.26Å | ||
| 200 | P | 83.8 | Confident | 90.4 | Very high | 85 Ų | 85 | 122.8 Ų | 122.8 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | trans | -72.6 | 127.1 | 176.2 | 27.9 | -31.7 | 0 | 0 | 0 | 110.3 | L202 G203 | P200-L202 PolarHBondContact O-N 3.5Å; P200-G203 PolarHBondContact O-N 2.74Å | ||
| 201 | E | 85.4 | Confident | 90.3 | Very high | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -47.4 | -177.9 | -174.9 | 174.8 | -168.2 | 0 | 0 | 113 | L199 | L199-E201 PolarHBondContact O-N 3.26Š|
| 202 | L | 85.7 | Confident | 89.8 | Confident | 170 Ų | 170 | 140.9 Ų | 140.9 | 89% | 0.89 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 3.3 | -179.1 | -70.1 | 170.5 | 0 | 0 | 0 | 114 | P200 | P200-L202 PolarHBondContact O-N 3.5Š|
| 203 | G | 82.1 | Confident | 89.7 | Confident | 38 Ų | 38 | 146.3 Ų | 146.3 | 39% | 0.392 | 71% | 0.708 | S | S | . | * | trans | 62.8 | 156.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P200 | P200-G203 PolarHBondContact O-N 2.74Š| ||
| 204 | P | 83.8 | Confident | 89.5 | Confident | 110 Ų | 110 | 149.1 Ų | 149.1 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 147.1 | 170.8 | 30.1 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 205 | R | 92.9 | Very high | 89.2 | Confident | 234 Ų | 234 | 153.6 Ų | 153.6 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 129.2 | 166.4 | -179 | -179.1 | 176.4 | 108.8 | -0.9 | 108.9 | R207 | R205-R207 PolarHBondContact O-N 3.08Š|
| 206 | P | 88.6 | Confident | 88.9 | Confident | 116 Ų | 116 | 157.5 Ų | 157.5 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 129.5 | 176.4 | -27.5 | 34.6 | 0 | 0 | 0 | 111.1 | ||
| 207 | R | 89.8 | Confident | 88.6 | Confident | 229 Ų | 229 | 156.8 Ų | 156.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 143.2 | 177.3 | 65.8 | -177.6 | 179.9 | -179.3 | -0.4 | 109.9 | R205 Q209 | R205-R207 PolarHBondContact O-N 3.08Å; R207-Q209 PolarHBondContact O-N 3.35Å |
| 208 | K | 95.2 | Very high | 88.3 | Confident | 180 Ų | 180 | 164.1 Ų | 164.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.4 | 171.4 | -175.3 | 175.4 | -179.3 | 176.5 | 0 | 109.5 | R210 | K208-R210 PolarHBondContact O-N 3.08Š|
| 209 | Q | 92.2 | Very high | 88.2 | Confident | 176 Ų | 176 | 169.3 Ų | 169.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 132.9 | 174.6 | -174.7 | 162.7 | -25.5 | 0 | 0 | 109.5 | R207 R211 | R207-Q209 PolarHBondContact O-N 3.35Å; Q209-R211 PolarHBondContact O-N 3.23Å |
| 210 | R | 91.5 | Very high | 88.3 | Confident | 209 Ų | 209 | 169.9 Ų | 169.9 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 132 | 179 | -62 | -178.7 | 78.2 | -172.8 | 3.1 | 108.2 | K208 | K208-R210 PolarHBondContact O-N 3.08Š|
| 211 | R | 92 | Very high | 88.6 | Confident | 235 Ų | 235 | 177 Ų | 177 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121.7 | 162.7 | -62.6 | -178.3 | 177.9 | -134.7 | -0.9 | 106.1 | Q209 | Q209-R211 PolarHBondContact O-N 3.23Š|
| 212 | I | 84.4 | Confident | 88.9 | Confident | 233 Ų | 233 | 175.5 Ų | 175.5 | 100% | 1.195 | 82% | 0.816 | S | S | * | * | trans | -104.5 | 0 | 170.1 | -59.3 | 176.7 | 0 | 0 | 0 | 105.6 |
Retrieved 212 of 212 residues in 47.9 ms
(Link to these results)