| 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 | 32.5 | Very low | 43.7 | Very low | 246 Ų | 246 | 166.8 Ų | 166.8 | 100% | 1.212 | 82% | 0.818 | S | S | * | * | 0 | 175.2 | 0 | -85.6 | 178.1 | 165.6 | 0 | 0 | 109.5 | |||||
| 2 | R | 42.8 | Very low | 43.7 | Very low | 231 Ų | 231 | 171.4 Ų | 171.4 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -68.9 | 137.6 | -168.8 | -59.3 | 172.5 | -179.4 | 162.4 | -1.7 | 113.3 | ||||
| 3 | L | 34.4 | Very low | 43.8 | Very low | 175 Ų | 175 | 167.9 Ų | 167.9 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -127.4 | 142.8 | 142.5 | -89.1 | 92.3 | 0 | 0 | 0 | 107.7 | ||||
| 4 | T | 40.5 | Very low | 43.9 | Very low | 131 Ų | 131 | 160.5 Ų | 160.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -139.8 | 127.7 | -169.3 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 5 | G | 38.8 | Very low | 44 | Very low | 73 Ų | 73 | 157.3 Ų | 157.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 101.4 | 148.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 6 | P | 46.9 | Very low | 44 | Very low | 98 Ų | 98 | 159 Ų | 159 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -106.1 | 119.8 | 9.3 | 35.7 | -27.9 | 0 | 0 | 0 | 114.3 | K8 L9 | P6-K8 PolarHBondContact O-N 2.86Å; P6-L9 HydrophobicContact CG-CD1 4.2Å | ||
| 7 | W | 50.3 | Low | 43.8 | Very low | 228 Ų | 228 | 158.1 Ų | 158.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -64.7 | -20.5 | 172.7 | -154.4 | -60.8 | 0 | 0 | 0 | 112.6 | L9 W10 | W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 2.77Å; W7-W10 PolarHBondContact O-N 3.23Å |
| 8 | K | 47.9 | Very low | 43.4 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -68.9 | -13.7 | -173.6 | -74.8 | -166.8 | 173.7 | -173.9 | 0 | 115.9 | P6 | P6-K8 PolarHBondContact O-N 2.86Š|
| 9 | L | 48.8 | Very low | 43 | Very low | 124 Ų | 124 | 155.6 Ų | 155.6 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -81.4 | -25 | 174.8 | -94.3 | 77.8 | 0 | 0 | 0 | 113.6 | P6 W7 L11 | P6-L9 HydrophobicContact CG-CD1 4.2Å; W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 2.77Å; L9-L11 PolarHBondContact O-N 2.61Å |
| 10 | W | 50.3 | Low | 42.4 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -76.5 | -24.3 | -171.3 | -113.4 | 62.8 | 0 | 0 | 0 | 114.3 | W7 S14 | W7-W10 PolarHBondContact O-N 3.23Å; W10-S14 PolarHBondContact O-N 2.98Å; W10-S14 PolarHBondContact O-OG 3.11Å |
| 11 | L | 47.6 | Very low | 42.4 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -80.2 | -10.1 | 178.6 | -100.6 | 163 | 0 | 0 | 0 | 114.6 | L9 | L9-L11 PolarHBondContact O-N 2.61Å |
| 12 | W | 44 | Very low | 42.4 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -94.3 | -34.3 | 171.9 | -87 | 35.3 | 0 | 0 | 0 | 112.1 | S14 | W12-S14 VanDerWaalsContact C-N 3.34Å; W12-S14 PolarHBondContact O-N 2.94Å |
| 13 | M | 44.3 | Very low | 41.8 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 62% | 0.621 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -73.1 | -23.8 | 178 | -68.8 | -59.4 | -62.3 | 0 | 0 | 113.6 | V15 | M13-V15 VanDerWaalsContact C-N 3.28Å; M13-V15 PolarHBondContact O-N 2.68Å |
| 14 | S | 45.1 | Very low | 41.5 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 45% | 0.448 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -10.2 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | W10 W12 | W10-S14 PolarHBondContact O-N 2.98Å; W10-S14 PolarHBondContact O-OG 3.11Å; W12-S14 VanDerWaalsContact C-N 3.34Å; W12-S14 PolarHBondContact O-N 2.94Å |
| 15 | V | 46.3 | Very low | 41.1 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -19 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | M13 | M13-V15 VanDerWaalsContact C-N 3.28Å; M13-V15 PolarHBondContact O-N 2.68Å |
| 16 | F | 43.4 | Very low | 40.8 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -93.7 | 2.5 | 179.5 | -95.1 | -83.2 | 0 | 0 | 0 | 114.7 | ||
| 17 | L | 41.3 | Very low | 40.1 | Very low | 144 Ų | 144 | 143 Ų | 143 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -128.1 | 38.5 | -176.8 | -73.6 | 174.5 | 0 | 0 | 0 | 113.7 | ||
| 18 | L | 35.3 | Very low | 39.3 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -115.4 | 126.1 | 153.6 | -81.6 | 167.7 | 0 | 0 | 0 | 108.1 | A20 | L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 2.79Å |
| 19 | P | 35.8 | Very low | 38.4 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | trans | -68 | 98.7 | 168.7 | 28.7 | -31.6 | 0 | 0 | 0 | 107.6 | S21 | P19-S21 PolarHBondContact O-N 2.94Š| ||
| 20 | A | 32.1 | Very low | 37.8 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -56.1 | 116.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | L18 T22 | L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 2.79Å; A20-T22 PolarHBondContact O-N 3.08Å | ||
| 21 | S | 41.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -73.4 | 74.2 | 175.4 | -165.9 | 0 | 0 | 0 | 0 | 108.5 | P19 S23 | P19-S21 PolarHBondContact O-N 2.94Å; S21-S23 VanDerWaalsContact C-N 3.31Å; S21-S23 PolarHBondContact O-N 3.42Å | ||
| 22 | T | 31.9 | Very low | 37.9 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | trans | -63.3 | 104.6 | 154.6 | 43.2 | 0 | 0 | 0 | 0 | 105.7 | A20 V24 | A20-T22 PolarHBondContact O-N 3.08Å; T22-V24 PolarHBondContact O-N 3.36Å | ||
| 23 | S | 31.1 | Very low | 38.9 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -57.3 | 90.1 | 151.9 | 52.5 | 0 | 0 | 0 | 0 | 106.5 | S21 T25 | S21-S23 VanDerWaalsContact C-N 3.31Å; S21-S23 PolarHBondContact O-N 3.42Å; S23-T25 PolarHBondContact O-N 3.07Å | ||
| 24 | V | 28.7 | Very low | 40.7 | Very low | 110 Ų | 110 | 123 Ų | 123 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | trans | -59 | 91.5 | 151 | 178.7 | 0 | 0 | 0 | 0 | 103.6 | T22 I26 | T22-V24 PolarHBondContact O-N 3.36Å; V24-I26 HydrophobicContact CG1-CG1 4.11Å; V24-I26 PolarHBondContact O-N 3.06Å | ||
| 25 | T | 32.4 | Very low | 42.6 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | -53.9 | 101.6 | 148.7 | 40.5 | 0 | 0 | 0 | 0 | 104 | S23 R27 | S23-T25 PolarHBondContact O-N 3.07Å; T25-R27 PolarHBondContact O-N 3.4Å | ||
| 26 | I | 30.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 72% | 0.718 | 67% | 0.666 | S | S | * | * | trans | -61.8 | 85.8 | 154.9 | -60.6 | 177 | 0 | 0 | 0 | 102.4 | V24 D28 | V24-I26 HydrophobicContact CG1-CG1 4.11Å; V24-I26 PolarHBondContact O-N 3.06Å; I26-D28 PolarHBondContact O-N 3.36Å | ||
| 27 | R | 33.6 | Very low | 46 | Very low | 226 Ų | 226 | 114.7 Ų | 114.7 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | trans | -67.9 | 90.7 | 172.4 | -177.2 | -179.5 | -169 | 177.6 | 4.1 | 102.8 | T25 K29 | T25-R27 PolarHBondContact O-N 3.4Å; R27-K29 PolarHBondContact O-N 3.06Å | ||
| 28 | D | 32.3 | Very low | 46.9 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -49.7 | 118.4 | -160.7 | -167 | 5.8 | 0 | 0 | 0 | 108.2 | I26 T30 | I26-D28 PolarHBondContact O-N 3.36Å; D28-T30 PolarHBondContact O-N 3.3Å | ||
| 29 | K | 29.3 | Very low | 48 | Very low | 190 Ų | 190 | 114.5 Ų | 114.5 | 83% | 0.826 | 62% | 0.616 | S | S | * | * | trans | -84.6 | 71.5 | -163.9 | -143.4 | -168.4 | -174.4 | -161.2 | 0 | 106.2 | R27 E31 | R27-K29 PolarHBondContact O-N 3.06Å; K29-E31 VanDerWaalsContact O-CA 3.27Å; K29-E31 WeakPolarHBondContact O-CA 3.35Å; K29-E31 PolarHBondContact O-N 3.12Å | ||
| 30 | T | 36.5 | Very low | 48.4 | Very low | 114 Ų | 114 | 115 Ų | 115 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | trans | -30.8 | 100.4 | -174.4 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | D28 E32 | D28-T30 PolarHBondContact O-N 3.3Å; T30-E32 PolarHBondContact O-N 3.17Å | ||
| 31 | E | 43.4 | Very low | 48.8 | Very low | 157 Ų | 157 | 113 Ų | 113 | 73% | 0.734 | 59% | 0.594 | S | S | * | * | trans | -71 | 96.3 | -158.9 | -69.7 | -157.5 | 157.9 | 0 | 0 | 110.5 | K29 S33 K94 | K29-E31 VanDerWaalsContact O-CA 3.27Å; K29-E31 WeakPolarHBondContact O-CA 3.35Å; K29-E31 PolarHBondContact O-N 3.12Å; E31-S33 PolarHBondContact O-N 2.99Å; E31-S33 VanDerWaalsContact O-N 3.16Å; E31-K94 VanDerWaalsContact C-NZ 3.31Å; E31-K94 VanDerWaalsContact CB-NZ 3.31Å; E31-K94 PolarHBondContact O-NZ 3.44Å; E31-K94 IonicContact OE2-NZ 2.7Å; E31-K94 PolarHBondContact OE2-NZ 3.14Å | ||
| 32 | E | 57.4 | Low | 48.7 | Very low | 153 Ų | 153 | 115.5 Ų | 115.5 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | trans | -45.8 | 122.2 | -167.8 | -65.2 | 176.5 | 147.9 | 0 | 0 | 111.6 | T30 C34 K94 | T30-E32 PolarHBondContact O-N 3.17Å; E32-C34 PolarHBondContact O-N 3.3Å; E32-K94 WeakPolarHBondContact O-CD 3.18Å; E32-K94 PolarHBondContact O-NZ 2.85Å | ||
| 33 | S | 65.2 | Low | 49.4 | Very low | 51 Ų | 51 | 111.9 Ų | 111.9 | 36% | 0.357 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -76.2 | -14.8 | -176.6 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | E31 | E31-S33 PolarHBondContact O-N 2.99Å; E31-S33 VanDerWaalsContact O-N 3.16Å |
| 34 | C | 80.4 | Confident | 49.9 | Very low | 14 Ų | 14 | 108.8 Ų | 108.8 | 10% | 0.095 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -128.5 | 127.9 | -169.7 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | E32 C232 | E32-C34 PolarHBondContact O-N 3.3Å; C34-C232 HydrophobicContact CB-CB 3.56Å; C34-C232 WeakPolarHBondContact CB-SG 3.18Å; C34-C232 WeakPolarHBondContact SG-CB 3.3Å; C34-C232 CovalentContact SG-SG 2.01Å; C34-C232 PolarHBondContact SG-SG 2.76Å |
| 35 | P | 86.4 | Confident | 50.1 | Low | 69 Ų | 69 | 108 Ų | 108 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 158.7 | 176.2 | 29.9 | -29.7 | 0 | 0 | 0 | 111.4 | S55 G56 F57 | P35-S55 CarbonylContact O-C 3.36Å; P35-S55 WeakPolarHBondContact O-CA 3.06Å; P35-S55 WeakPolarHBondContact O-CB 3.35Å; P35-G56 WeakPolarHBondContact CG-O 3.07Å; P35-G56 PolarHBondContact O-N 2.99Å; P35-F57 HydrophobicContact CG-CD1 4.13Å; P35-F57 HydrophobicContact CG-CE1 3.99Å |
| 36 | I | 82.6 | Confident | 50.2 | Low | 92 Ų | 92 | 108.4 Ų | 108.4 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -76.1 | 124.5 | 177.6 | -59.6 | 163.5 | 0 | 0 | 0 | 109.6 | E53 | I36-E53 WeakPolarHBondContact CD1-OE2 3.3Å; I36-E53 HydrophobicContact CG2-CB 4.15Å |
| 37 | L | 78.5 | Confident | 50.3 | Low | 25 Ų | 25 | 108.4 Ų | 108.4 | 13% | 0.131 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 127.3 | 174 | -74.6 | 173.9 | 0 | 0 | 0 | 110.8 | I39 V54 D58 Y231 | L37-I39 PolarHBondContact O-N 3.48Å; L37-V54 WeakPolarHBondContact CB-O 3.28Å; L37-V54 PolarHBondContact N-O 2.94Å; L37-D58 HydrophobicContact CD2-CB 4.27Å; L37-Y231 HydrophobicContact CD1-CD1 4.06Å; L37-Y231 HydrophobicContact CD1-CE1 4.05Å |
| 38 | R | 60.2 | Low | 50.6 | Low | 239 Ų | 239 | 105 Ų | 105 | 90% | 0.902 | 53% | 0.529 | S | S | * | . | trans | -78.8 | 100 | 166.8 | -70.7 | -176.1 | 173.6 | -167.6 | -2.7 | 109.3 | E40 | R38-E40 PolarHBondContact O-N 3.25Š| ||
| 39 | I | 58.4 | Low | 50.9 | Low | 44 Ų | 44 | 107 Ų | 107 | 23% | 0.226 | 54% | 0.536 | C | S | . | . | trans | -74 | 119.5 | 171.6 | -59.5 | 177.7 | 0 | 0 | 0 | 108.7 | L37 G41 Q43 L44 V54 | L37-I39 PolarHBondContact O-N 3.48Å; I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.24Å; I39-Q43 HydrophobicContact CG2-CB 4.09Å; I39-Q43 HydrophobicContact CG2-CG 4.38Å; I39-L44 HydrophobicContact CD1-CD1 3.98Å; I39-V54 HydrophobicContact CD1-CB 4.07Å; I39-V54 HydrophobicContact CD1-CG2 3.96Å | ||
| 40 | E | 43.9 | Very low | 51.4 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -74.3 | 80.4 | 175.8 | -73.1 | 174.6 | -175.1 | 0 | 0 | 110.3 | R38 R67 | R38-E40 PolarHBondContact O-N 3.25Å; E40-R67 IonicContact OE1-CZ 2.85Å; E40-R67 IonicContact OE1-NH1 2.76Å; E40-R67 PolarHBondContact OE1-NH1 3.35Å; E40-R67 IonicContact OE1-NH2 3.69Å; E40-R67 PolarHBondContact OE1-NH2 3.12Å; E40-R67 IonicContact OE2-CZ 3.79Å; E40-R67 IonicContact OE2-NH1 2.81Å; E40-R67 PolarHBondContact OE2-NH1 3.36Å |
| 41 | G | 39.7 | Very low | 51.7 | Low | 39 Ų | 39 | 107 Ų | 107 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | S | Bend | trans | 95.1 | 125.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | I39 Q43 | I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.24Å; G41-Q43 VanDerWaalsContact C-N 3.26Å; G41-Q43 WeakPolarHBondContact O-CG 2.97Å; G41-Q43 PolarHBondContact O-N 3Å |
| 42 | H | 39.1 | Very low | 52.2 | Low | 174 Ų | 174 | 103.1 Ų | 103.1 | 81% | 0.806 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 40.7 | 3.4 | 153.4 | -65.4 | 101.8 | 0 | 0 | 0 | 123.2 | L44 | H42-L44 PolarHBondContact O-N 3.3Š|
| 43 | Q | 46.9 | Very low | 52.6 | Low | 34 Ų | 34 | 101.2 Ų | 101.2 | 16% | 0.159 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -24.3 | -172.9 | -70.3 | 166.8 | 6.6 | 0 | 0 | 114.9 | I39 G41 E244 | I39-Q43 HydrophobicContact CG2-CB 4.09Å; I39-Q43 HydrophobicContact CG2-CG 4.38Å; G41-Q43 VanDerWaalsContact C-N 3.26Å; G41-Q43 WeakPolarHBondContact O-CG 2.97Å; G41-Q43 PolarHBondContact O-N 3Å; Q43-E244 PolarHBondContact NE2-OE1 2.8Å; Q43-E244 PolarHBondContact NE2-OE2 2.93Å; Q43-E244 VanDerWaalsContact NE2-OE2 3.16Å |
| 44 | L | 41.7 | Very low | 53.4 | Low | 33 Ų | 33 | 99.1 Ų | 99.1 | 17% | 0.173 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138 | 49.9 | -174.4 | -70.6 | 173.3 | 0 | 0 | 0 | 113.2 | I39 H42 V54 Q239 | I39-L44 HydrophobicContact CD1-CD1 3.98Å; H42-L44 PolarHBondContact O-N 3.3Å; L44-V54 HydrophobicContact CD1-CG2 3.66Å; L44-Q239 VanDerWaalsContact CD2-CD 3.45Å; L44-Q239 HydrophobicContact CD2-CG 4.05Å |
| 45 | T | 33.2 | Very low | 53.7 | Low | 94 Ų | 94 | 100.4 Ų | 100.4 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | trans | -91.2 | 97.8 | 163.2 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 46 | Y | 34.5 | Very low | 54 | Low | 123 Ų | 123 | 97.2 Ų | 97.2 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | trans | -64.3 | 156 | 156.7 | -110.2 | -84 | 0 | 0 | 0 | 109.5 | ||||
| 47 | D | 34.1 | Very low | 54.5 | Low | 140 Ų | 140 | 93.3 Ų | 93.3 | 75% | 0.749 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -58 | 145.6 | -179.5 | -100.2 | -21.5 | 0 | 0 | 0 | 112.7 | ||
| 48 | N | 39.7 | Very low | 55.2 | Low | 155 Ų | 155 | 93.4 Ų | 93.4 | 83% | 0.829 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 8.9 | 121.5 | 178.4 | -91.6 | -33.6 | 0 | 0 | 0 | 118.7 | ||
| 49 | M | 38.8 | Very low | 56.8 | Low | 172 Ų | 172 | 82 Ų | 82 | 85% | 0.847 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 81.3 | 34.1 | 164.3 | -54.6 | -72.5 | -79 | 0 | 0 | 117.8 | ||
| 50 | N | 37.9 | Very low | 58.3 | Low | 134 Ų | 134 | 79.9 Ų | 79.9 | 72% | 0.717 | 41% | 0.411 | S | S | * | . | trans | -158.9 | 123.9 | 139.7 | -99.4 | -37.7 | 0 | 0 | 0 | 113.2 | V52 | N50-V52 PolarHBondContact O-N 2.7Š| ||
| 51 | K | 43 | Very low | 60.5 | Low | 170 Ų | 170 | 80.3 Ų | 80.3 | 74% | 0.739 | 41% | 0.413 | S | S | * | . | trans | -81.4 | 103.1 | 167.8 | 178.9 | -164.6 | 170.5 | -144.3 | 0 | 107.8 | E53 | K51-E53 IonicContact NZ-OE1 3.24Å; K51-E53 PolarHBondContact NZ-OE1 3.49Å; K51-E53 PolarHBondContact O-N 3.22Å; K51-E53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | V | 54.8 | Low | 63 | Low | 77 Ų | 77 | 80.4 Ų | 80.4 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | trans | -65.8 | 111.5 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | N50 V54 | N50-V52 PolarHBondContact O-N 2.7Å; V52-V54 HydrophobicContact CG1-CG2 4.23Å; V52-V54 PolarHBondContact O-N 3.26Å; V52-V54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | E | 66.1 | Low | 65.6 | Low | 113 Ų | 113 | 72.6 Ų | 72.6 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | trans | -81.2 | 96.3 | 177.3 | -59 | -149.4 | 126.9 | 0 | 0 | 109.8 | I36 K51 | I36-E53 WeakPolarHBondContact CD1-OE2 3.3Å; I36-E53 HydrophobicContact CG2-CB 4.15Å; K51-E53 IonicContact NZ-OE1 3.24Å; K51-E53 PolarHBondContact NZ-OE1 3.49Å; K51-E53 PolarHBondContact O-N 3.22Å; K51-E53 VanDerWaalsContact O-N 3.11Å | ||
| 54 | V | 80.8 | Confident | 67.7 | Low | 6 Ų | 6 | 74.9 Ų | 74.9 | 4% | 0.036 | 39% | 0.391 | C | S | . | . | trans | -76.2 | 124.5 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 110 | L37 I39 L44 V52 Y231 L236 | L37-V54 WeakPolarHBondContact CB-O 3.28Å; L37-V54 PolarHBondContact N-O 2.94Å; I39-V54 HydrophobicContact CD1-CB 4.07Å; I39-V54 HydrophobicContact CD1-CG2 3.96Å; L44-V54 HydrophobicContact CD1-CG2 3.66Å; V52-V54 HydrophobicContact CG1-CG2 4.23Å; V52-V54 PolarHBondContact O-N 3.26Å; V52-V54 VanDerWaalsContact O-N 3.16Å; V54-Y231 HydrophobicContact CG1-CD1 3.47Å; V54-Y231 VanDerWaalsContact CG1-CD1 3.47Å; V54-Y231 HydrophobicContact CG1-CE1 3.81Å; V54-L236 HydrophobicContact CG1-CD1 3.92Å; V54-L236 HydrophobicContact CG2-CD1 4.19Å | ||
| 55 | S | 88.3 | Confident | 70 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -102.5 | 147.3 | -180 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | P35 C232 | P35-S55 CarbonylContact O-C 3.36Å; P35-S55 WeakPolarHBondContact O-CA 3.06Å; P35-S55 WeakPolarHBondContact O-CB 3.35Å; S55-C232 PolarHBondContact O-N 3.02Å |
| 56 | G | 91.5 | Very high | 72.5 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -167.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P35 I230 | P35-G56 WeakPolarHBondContact CG-O 3.07Å; P35-G56 PolarHBondContact O-N 2.99Å; G56-I230 CarbonylContact C-O 3.54Å; G56-I230 WeakPolarHBondContact CA-O 3.44Å |
| 57 | F | 93.3 | Very high | 74.9 | Confident | 10 Ų | 10 | 79.7 Ų | 79.7 | 4% | 0.044 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125 | -172.7 | -53.5 | -93 | 0 | 0 | 0 | 110.5 | P35 L59 V91 F92 L96 K229 I230 | P35-F57 HydrophobicContact CG-CD1 4.13Å; P35-F57 HydrophobicContact CG-CE1 3.99Å; F57-L59 HydrophobicContact CB-CD2 4.4Å; F57-V91 WeakPolarHBondContact CD1-O 3.42Å; F57-V91 WeakPolarHBondContact CE1-O 3.33Å; F57-F92 HydrophobicContact CB-CD1 4.47Å; F57-F92 HydrophobicContact CB-CE1 4.04Å; F57-F92 AromaticContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CE1 4.34Å; F57-F92 AromaticContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CE1 4.01Å; F57-F92 HydrophobicContact CE1-CD1 4.07Å; F57-F92 HydrophobicContact CE2-CD1 4.09Å; F57-F92 AromaticContact CG-CD1 3.84Å; F57-F92 HydrophobicContact CG-CD1 3.84Å; F57-F92 AromaticContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CZ-CD1 4.16Å; F57-L96 HydrophobicContact CD2-CD2 3.84Å; F57-L96 HydrophobicContact CE2-CD2 3.58Å; F57-L96 HydrophobicContact CZ-CD2 4.45Å; F57-K229 WeakPolarHBondContact O-CA 3.39Å; F57-I230 PolarHBondContact N-O 3.45Å; F57-I230 PolarHBondContact O-N 2.83Å |
| 58 | D | 93 | Very high | 77.2 | Confident | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.6 | 169.9 | -168.8 | -67.7 | 0 | 0 | 0 | 109.7 | L37 G60 E61 S62 K229 | L37-D58 HydrophobicContact CD2-CB 4.27Å; D58-G60 VanDerWaalsContact OD1-CA 3.26Å; D58-G60 WeakPolarHBondContact OD1-CA 3.35Å; D58-G60 PolarHBondContact OD1-N 3.23Å; D58-E61 HydrophobicContact CB-CB 4.29Å; D58-E61 PolarHBondContact OD1-N 3.23Å; D58-S62 VanDerWaalsContact O-CB 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.33Å; D58-S62 PolarHBondContact O-N 3.13Å; D58-S62 PolarHBondContact O-OG 3.39Å; D58-K229 HydrophobicContact CB-CG 4.25Å; D58-K229 WeakPolarHBondContact OD2-CE 3.26Å; D58-K229 VanDerWaalsContact OD2-CG 3.32Å; D58-K229 WeakPolarHBondContact OD2-CG 3.38Å |
| 59 | L | 93.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -82.5 | -16.1 | -177.7 | -56.8 | -168.9 | 0 | 0 | 0 | 112.6 | F57 F63 V91 F92 W120 I211 L228 I230 | F57-L59 HydrophobicContact CB-CD2 4.4Å; L59-F63 HydrophobicContact CB-CD2 4.34Å; L59-F63 HydrophobicContact CB-CE2 4.48Å; L59-F63 WeakPolarHBondContact O-CB 3.37Å; L59-F63 VanDerWaalsContact O-CD2 3.23Å; L59-F63 WeakPolarHBondContact O-CD2 3.18Å; L59-F63 PolarHBondContact O-N 3.2Å; L59-V91 HydrophobicContact CD2-CG1 3.55Å; L59-F92 HydrophobicContact CD2-CE1 4.12Å; L59-F92 HydrophobicContact CD2-CZ 3.85Å; L59-W120 HydrophobicContact CD1-CG 4.24Å; L59-I211 HydrophobicContact CB-CG2 4.48Å; L59-I211 HydrophobicContact CD1-CG2 3.93Å; L59-L228 HydrophobicContact CB-CB 4.36Å; L59-L228 HydrophobicContact CB-CD2 3.93Å; L59-L228 HydrophobicContact CB-CG 3.95Å; L59-L228 WeakPolarHBondContact CB-O 3.16Å; L59-L228 HydrophobicContact CD1-CD2 3.97Å; L59-L228 HydrophobicContact CD1-CG 4.02Å; L59-L228 HydrophobicContact CG-CD2 4.5Å; L59-L228 HydrophobicContact CG-CG 4.32Å; L59-L228 PolarHBondContact N-O 2.86Å; L59-I230 HydrophobicContact CD1-CD1 4.04Å; L59-I230 HydrophobicContact CD1-CG1 4.16Å; L59-I230 HydrophobicContact CG-CG1 4.44Å |
| 60 | G | 90.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.5 | -48.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D58 S64 L65 | D58-G60 VanDerWaalsContact OD1-CA 3.26Å; D58-G60 WeakPolarHBondContact OD1-CA 3.35Å; D58-G60 PolarHBondContact OD1-N 3.23Å; G60-S64 PolarHBondContact O-N 3.01Å; G60-L65 WeakPolarHBondContact O-CB 3.21Å; G60-L65 PolarHBondContact O-N 3.21Å |
| 61 | E | 89.3 | Confident | 81.9 | Confident | 142 Ų | 142 | 67.6 Ų | 67.6 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.2 | -46.3 | 174.9 | -174.1 | 164.6 | -157.2 | 0 | 0 | 112.1 | D58 F63 S64 | D58-E61 HydrophobicContact CB-CB 4.29Å; D58-E61 PolarHBondContact OD1-N 3.23Å; E61-F63 VanDerWaalsContact C-N 3.27Å; E61-F63 PolarHBondContact O-N 3.15Å; E61-S64 WeakPolarHBondContact O-CA 3.31Å; E61-S64 PolarHBondContact O-N 3.3Å |
| 62 | S | 92.5 | Very high | 82.4 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -31.7 | -178.4 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | D58 S64 | D58-S62 VanDerWaalsContact O-CB 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.33Å; D58-S62 PolarHBondContact O-N 3.13Å; D58-S62 PolarHBondContact O-OG 3.39Å; S62-S64 VanDerWaalsContact C-N 3.34Å |
| 63 | F | 93.6 | Very high | 82.6 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 4% | 0.044 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.9 | 173.7 | -77.8 | -109.7 | 0 | 0 | 0 | 113.1 | L59 E61 L65 L84 R86 V91 T209 I211 | L59-F63 HydrophobicContact CB-CD2 4.34Å; L59-F63 HydrophobicContact CB-CE2 4.48Å; L59-F63 WeakPolarHBondContact O-CB 3.37Å; L59-F63 VanDerWaalsContact O-CD2 3.23Å; L59-F63 WeakPolarHBondContact O-CD2 3.18Å; L59-F63 PolarHBondContact O-N 3.2Å; E61-F63 VanDerWaalsContact C-N 3.27Å; E61-F63 PolarHBondContact O-N 3.15Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-L65 HydrophobicContact CB-CD2 4.04Å; F63-L65 HydrophobicContact CB-CG 4.05Å; F63-L84 HydrophobicContact CD1-CB 4.31Å; F63-L84 WeakPolarHBondContact CE1-O 3.48Å; F63-R86 HydrophobicContact CD1-CB 4.44Å; F63-R86 HydrophobicContact CD1-CG 3.59Å; F63-R86 HydrophobicContact CD2-CG 4.36Å; F63-R86 HydrophobicContact CE1-CB 4.08Å; F63-R86 HydrophobicContact CE1-CG 3.72Å; F63-R86 HydrophobicContact CE2-CG 4.49Å; F63-R86 HydrophobicContact CG-CG 3.94Å; F63-R86 HydrophobicContact CZ-CB 4.22Å; F63-R86 HydrophobicContact CZ-CG 4.2Å; F63-R86 PolarHBondContact O-NH2 2.88Å; F63-V91 HydrophobicContact CE2-CG2 4.38Å; F63-T209 HydrophobicContact CE2-CG2 4.24Å; F63-T209 HydrophobicContact CZ-CG2 3.83Å; F63-T209 WeakPolarHBondContact CZ-O 3.46Å; F63-I211 HydrophobicContact CB-CD1 3.9Å; F63-I211 HydrophobicContact CD1-CD1 3.85Å; F63-I211 HydrophobicContact CD1-CG1 3.77Å; F63-I211 HydrophobicContact CD2-CD1 3.62Å; F63-I211 HydrophobicContact CD2-CG1 4.17Å; F63-I211 HydrophobicContact CD2-CG2 4.46Å; F63-I211 HydrophobicContact CE1-CD1 4.25Å; F63-I211 HydrophobicContact CE1-CG1 3.78Å; F63-I211 HydrophobicContact CE1-CG2 4.47Å; F63-I211 HydrophobicContact CE2-CD1 4.03Å; F63-I211 HydrophobicContact CE2-CG1 4.16Å; F63-I211 HydrophobicContact CE2-CG2 3.81Å; F63-I211 HydrophobicContact CG-CD1 3.5Å; F63-I211 HydrophobicContact CG-CG1 3.97Å; F63-I211 HydrophobicContact CZ-CB 4.39Å; F63-I211 HydrophobicContact CZ-CD1 4.32Å; F63-I211 HydrophobicContact CZ-CG1 3.96Å; F63-I211 HydrophobicContact CZ-CG2 3.81Å |
| 64 | S | 91 | Very high | 82.6 | Confident | 81 Ų | 81 | 66 Ų | 66 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 38.3 | -174.8 | -38.5 | 0 | 0 | 0 | 0 | 112.9 | G60 E61 S62 R86 | G60-S64 PolarHBondContact O-N 3.01Å; E61-S64 WeakPolarHBondContact O-CA 3.31Å; E61-S64 PolarHBondContact O-N 3.3Å; S62-S64 VanDerWaalsContact C-N 3.34Å; S64-R86 PolarHBondContact OG-NH2 3.07Å |
| 65 | L | 90.6 | Very high | 82.7 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | trans | -66.4 | 134.8 | 179.5 | -60.3 | -171.7 | 0 | 0 | 0 | 110.7 | G60 F63 R67 F77 L79 L84 I211 L225 | G60-L65 WeakPolarHBondContact O-CB 3.21Å; G60-L65 PolarHBondContact O-N 3.21Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-L65 HydrophobicContact CB-CD2 4.04Å; F63-L65 HydrophobicContact CB-CG 4.05Å; L65-R67 PolarHBondContact O-N 2.97Å; L65-F77 HydrophobicContact CB-CB 3.92Å; L65-F77 HydrophobicContact CB-CD1 3.34Å; L65-F77 HydrophobicContact CB-CE1 4.02Å; L65-F77 HydrophobicContact CB-CG 3.82Å; L65-F77 HydrophobicContact CD1-CB 3.78Å; L65-F77 HydrophobicContact CD1-CD1 4.27Å; L65-F77 HydrophobicContact CD1-CD2 4.44Å; L65-F77 HydrophobicContact CD1-CG 3.92Å; L65-F77 HydrophobicContact CG-CD1 4.42Å; L65-L79 HydrophobicContact CD1-CD2 4.01Å; L65-L84 HydrophobicContact CD2-CD1 4.1Å; L65-L84 HydrophobicContact CD2-CD2 3.61Å; L65-L84 HydrophobicContact CD2-CG 4.49Å; L65-I211 HydrophobicContact CD1-CD1 4Å; L65-L225 HydrophobicContact CD1-CD2 4.2Å | ||
| 66 | R | 85.3 | Confident | 82.6 | Confident | 209 Ų | 209 | 66.3 Ų | 66.3 | 79% | 0.789 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.5 | 179 | -65.7 | -172.2 | -178.6 | -139.8 | 0.1 | 110.2 | K78 | R66-K78 PolarHBondContact O-N 2.99Å |
| 67 | R | 86.1 | Confident | 82.5 | Confident | 125 Ų | 125 | 67 Ų | 67 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 138.4 | 163.7 | -55.6 | -172.1 | -159.4 | -168 | 12.7 | 108.9 | E40 L65 C76 F77 | E40-R67 IonicContact OE1-CZ 2.85Å; E40-R67 IonicContact OE1-NH1 2.76Å; E40-R67 PolarHBondContact OE1-NH1 3.35Å; E40-R67 IonicContact OE1-NH2 3.69Å; E40-R67 PolarHBondContact OE1-NH2 3.12Å; E40-R67 IonicContact OE2-CZ 3.79Å; E40-R67 IonicContact OE2-NH1 2.81Å; E40-R67 PolarHBondContact OE2-NH1 3.36Å; L65-R67 PolarHBondContact O-N 2.97Å; R67-C76 CarbonylContact C-O 3.49Å; R67-C76 WeakPolarHBondContact CA-O 3.48Å; R67-F77 HydrophobicContact CG-CD1 3.96Å; R67-F77 HydrophobicContact CG-CE1 3.5Å; R67-F77 HydrophobicContact CG-CZ 4.22Å |
| 68 | A | 82.1 | Confident | 82 | Confident | 21 Ų | 21 | 73.2 Ų | 73.2 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 163.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | C70 T75 C76 K78 | A68-C70 PolarHBondContact O-N 3.44Å; A68-T75 CarbonylContact O-C 3.06Å; A68-T75 WeakPolarHBondContact O-CA 3.37Å; A68-C76 PolarHBondContact N-O 3.05Å; A68-C76 PolarHBondContact O-N 3.49Å; A68-K78 HydrophobicContact CB-CD 3.72Å; A68-K78 HydrophobicContact CB-CG 4.01Å |
| 69 | F | 80 | Confident | 81.7 | Confident | 172 Ų | 172 | 72.6 Ų | 72.6 | 75% | 0.754 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.9 | 169.6 | -64.1 | -81.1 | 0 | 0 | 0 | 109.8 | T75 | F69-T75 HydrophobicContact CD1-CG2 4.29Å; F69-T75 HydrophobicContact CE1-CG2 4.14Å |
| 70 | C | 74.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 172.4 | 162.3 | -96.6 | 0 | 0 | 0 | 0 | 109.8 | A68 K74 C76 W171 | A68-C70 PolarHBondContact O-N 3.44Å; C70-K74 WeakPolarHBondContact CB-O 3.46Å; C70-K74 PolarHBondContact N-O 3.02Å; C70-C76 HydrophobicContact CB-CB 3.72Å; C70-C76 WeakPolarHBondContact CB-SG 3.3Å; C70-C76 WeakPolarHBondContact SG-CB 3.41Å; C70-C76 CovalentContact SG-SG 2.03Å; C70-C76 PolarHBondContact SG-SG 2.76Å; C70-W171 HydrophobicContact CB-CZ2 4.27Å |
| 71 | E | 60.7 | Low | 80.8 | Confident | 131 Ų | 131 | 80.9 Ų | 80.9 | 61% | 0.612 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -57 | 134.3 | 170.3 | -167.7 | 173.2 | -134.5 | 0 | 0 | 110.4 | R107 | E71-R107 IonicContact OE2-CZ 3.77Å; E71-R107 IonicContact OE2-NH1 3.93Å; E71-R107 PolarHBondContact OE2-NH1 3.48Å; E71-R107 IonicContact OE2-NH2 3.31Å; E71-R107 PolarHBondContact OE2-NH2 3.32Å |
| 72 | S | 53.5 | Low | 80.5 | Confident | 92 Ų | 92 | 77.4 Ų | 77.4 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 58 | 76.9 | -174.1 | 53.1 | 0 | 0 | 0 | 0 | 115.8 | K74 | S72-K74 PolarHBondContact O-N 2.64Š|
| 73 | D | 58.3 | Low | 80.4 | Confident | 162 Ų | 162 | 80.3 Ų | 80.3 | 87% | 0.866 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 49.6 | -10.6 | 165.9 | -67.5 | -6.9 | 0 | 0 | 0 | 120.3 | ||
| 74 | K | 66.5 | Low | 80.5 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | trans | -84.4 | 129.4 | 177.6 | -60.3 | -162.7 | 177.5 | -163.4 | 0 | 110.3 | C70 S72 M105 E244 | C70-K74 WeakPolarHBondContact CB-O 3.46Å; C70-K74 PolarHBondContact N-O 3.02Å; S72-K74 PolarHBondContact O-N 2.64Å; K74-M105 HydrophobicContact CD-CE 3.8Å; K74-E244 PolarHBondContact NZ-O 3.34Å | ||
| 75 | T | 81.4 | Confident | 80.7 | Confident | 51 Ų | 51 | 79.6 Ų | 79.6 | 31% | 0.313 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 150.6 | 169 | 63.1 | 0 | 0 | 0 | 0 | 110 | A68 F69 H226 | A68-T75 CarbonylContact O-C 3.06Å; A68-T75 WeakPolarHBondContact O-CA 3.37Å; F69-T75 HydrophobicContact CD1-CG2 4.29Å; F69-T75 HydrophobicContact CE1-CG2 4.14Å; T75-H226 PolarHBondContact O-ND1 3.5Å |
| 76 | C | 86.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 83.6 Ų | 83.6 | 3% | 0.034 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.7 | -178.9 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | R67 A68 C70 W171 L225 | R67-C76 CarbonylContact C-O 3.49Å; R67-C76 WeakPolarHBondContact CA-O 3.48Å; A68-C76 PolarHBondContact N-O 3.05Å; A68-C76 PolarHBondContact O-N 3.49Å; C70-C76 HydrophobicContact CB-CB 3.72Å; C70-C76 WeakPolarHBondContact CB-SG 3.3Å; C70-C76 WeakPolarHBondContact SG-CB 3.41Å; C70-C76 CovalentContact SG-SG 2.03Å; C70-C76 PolarHBondContact SG-SG 2.76Å; C76-W171 HydrophobicContact CB-CH2 4.17Å; C76-L225 CarbonylContact C-O 3.43Å; C76-L225 WeakPolarHBondContact CA-O 3.29Å |
| 77 | F | 89.5 | Confident | 81.4 | Confident | 14 Ų | 14 | 76.9 Ų | 76.9 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.4 | 177.2 | -65.5 | -65.8 | 0 | 0 | 0 | 111.1 | L65 R67 L79 L225 H226 | L65-F77 HydrophobicContact CB-CB 3.92Å; L65-F77 HydrophobicContact CB-CD1 3.34Å; L65-F77 HydrophobicContact CB-CE1 4.02Å; L65-F77 HydrophobicContact CB-CG 3.82Å; L65-F77 HydrophobicContact CD1-CB 3.78Å; L65-F77 HydrophobicContact CD1-CD1 4.27Å; L65-F77 HydrophobicContact CD1-CD2 4.44Å; L65-F77 HydrophobicContact CD1-CG 3.92Å; L65-F77 HydrophobicContact CG-CD1 4.42Å; R67-F77 HydrophobicContact CG-CD1 3.96Å; R67-F77 HydrophobicContact CG-CE1 3.5Å; R67-F77 HydrophobicContact CG-CZ 4.22Å; F77-L79 PolarHBondContact O-N 3.45Å; F77-L225 HydrophobicContact CB-CB 4.45Å; F77-L225 HydrophobicContact CD2-CG 4.42Å; F77-L225 PolarHBondContact N-O 3.08Å; F77-H226 WeakPolarHBondContact CD2-O 3.42Å; F77-H226 WeakPolarHBondContact CE2-O 3.44Å |
| 78 | K | 83 | Confident | 81.9 | Confident | 141 Ų | 141 | 70.9 Ų | 70.9 | 61% | 0.613 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 102.8 | 168.7 | -75 | -179.7 | 177.4 | 173.5 | 0 | 109.2 | R66 A68 G80 | R66-K78 PolarHBondContact O-N 2.99Å; A68-K78 HydrophobicContact CB-CD 3.72Å; A68-K78 HydrophobicContact CB-CG 4.01Å; K78-G80 PolarHBondContact O-N 3.42Å |
| 79 | L | 87.4 | Confident | 82.4 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | trans | -60.2 | -29.9 | 179.8 | -56.2 | -177.4 | 0 | 0 | 0 | 113.3 | L65 F77 L84 A212 P220 I223 L225 | L65-L79 HydrophobicContact CD1-CD2 4.01Å; F77-L79 PolarHBondContact O-N 3.45Å; L79-L84 HydrophobicContact CB-CD1 4.03Å; L79-L84 HydrophobicContact CD2-CD1 3.77Å; L79-L84 HydrophobicContact CG-CD1 4.38Å; L79-A212 HydrophobicContact CD1-CB 3.73Å; L79-A212 HydrophobicContact CD2-CB 4.28Å; L79-P220 HydrophobicContact CB-CB 4.19Å; L79-I223 HydrophobicContact CD1-CD1 4.34Å; L79-I223 HydrophobicContact CD1-CG1 3.67Å; L79-L225 HydrophobicContact CD2-CB 4.16Å; L79-L225 HydrophobicContact CD2-CD2 3.99Å | ||
| 80 | G | 81.6 | Confident | 83.1 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 63% | 0.629 | 40% | 0.402 | S | S | * | . | trans | 70.2 | -153.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K78 | K78-G80 PolarHBondContact O-N 3.42Š| ||
| 81 | S | 82.1 | Confident | 84 | Confident | 113 Ų | 113 | 72.4 Ų | 72.4 | 79% | 0.79 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -115.3 | -6.8 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 82 | A | 84.3 | Confident | 85.5 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 56% | 0.562 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -77.4 | 150.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L84 P220 | A82-L84 PolarHBondContact O-N 3.48Å; A82-P220 WeakPolarHBondContact O-CD 3.03Å; A82-P220 WeakPolarHBondContact O-CG 3.4Å |
| 83 | L | 90.8 | Very high | 87.3 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | trans | -67.6 | 119.9 | 177.7 | -58 | -178 | 0 | 0 | 0 | 110.2 | I85 K219 | L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 HydrophobicContact CB-CD1 4Å; L83-I85 HydrophobicContact CB-CG1 4.03Å; L83-I85 HydrophobicContact CD1-CD1 4.26Å; L83-I85 PolarHBondContact O-N 3.46Å; L83-K219 HydrophobicContact CD2-CG 4.29Å | ||
| 84 | L | 94 | Very high | 88.8 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | trans | -81.9 | 76.7 | 178.3 | -61.5 | -176.3 | 0 | 0 | 0 | 110.1 | F63 L65 L79 A82 V210 I211 P220 | F63-L84 HydrophobicContact CD1-CB 4.31Å; F63-L84 WeakPolarHBondContact CE1-O 3.48Å; L65-L84 HydrophobicContact CD2-CD1 4.1Å; L65-L84 HydrophobicContact CD2-CD2 3.61Å; L65-L84 HydrophobicContact CD2-CG 4.49Å; L79-L84 HydrophobicContact CB-CD1 4.03Å; L79-L84 HydrophobicContact CD2-CD1 3.77Å; L79-L84 HydrophobicContact CG-CD1 4.38Å; A82-L84 PolarHBondContact O-N 3.48Å; L84-V210 WeakPolarHBondContact O-CA 3.46Å; L84-I211 HydrophobicContact CB-CG1 3.95Å; L84-I211 WeakPolarHBondContact CB-O 3.4Å; L84-I211 HydrophobicContact CD1-CG1 4.23Å; L84-I211 PolarHBondContact O-N 3.35Å; L84-P220 HydrophobicContact CG-CG 4.25Å | ||
| 85 | I | 95.4 | Very high | 89.9 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.1 | -177.1 | -53.2 | -176.3 | 0 | 0 | 0 | 108.5 | L83 R208 T209 V210 | L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 HydrophobicContact CB-CD1 4Å; L83-I85 HydrophobicContact CB-CG1 4.03Å; L83-I85 HydrophobicContact CD1-CD1 4.26Å; L83-I85 PolarHBondContact O-N 3.46Å; I85-R208 HydrophobicContact CG2-CB 4.11Å; I85-T209 WeakPolarHBondContact CA-O 3.37Å; I85-V210 HydrophobicContact CB-CG1 4.24Å; I85-V210 HydrophobicContact CD1-CG1 4.32Å; I85-V210 HydrophobicContact CG1-CB 4.47Å; I85-V210 HydrophobicContact CG1-CG1 3.76Å; I85-V210 HydrophobicContact CG2-CG1 4.05Å |
| 86 | R | 95.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 160.2 | 171.7 | -66.6 | -65.2 | -174.3 | 144 | 8.5 | 110.1 | F63 S64 T88 V91 R208 T209 | F63-R86 HydrophobicContact CD1-CB 4.44Å; F63-R86 HydrophobicContact CD1-CG 3.59Å; F63-R86 HydrophobicContact CD2-CG 4.36Å; F63-R86 HydrophobicContact CE1-CB 4.08Å; F63-R86 HydrophobicContact CE1-CG 3.72Å; F63-R86 HydrophobicContact CE2-CG 4.49Å; F63-R86 HydrophobicContact CG-CG 3.94Å; F63-R86 HydrophobicContact CZ-CB 4.22Å; F63-R86 HydrophobicContact CZ-CG 4.2Å; F63-R86 PolarHBondContact O-NH2 2.88Å; S64-R86 PolarHBondContact OG-NH2 3.07Å; R86-T88 PolarHBondContact O-N 2.81Å; R86-V91 HydrophobicContact CB-CG2 3.97Å; R86-R208 CarbonylContact O-C 3.51Å; R86-R208 WeakPolarHBondContact O-CA 3.28Å; R86-T209 HydrophobicContact CB-CG2 4.08Å; R86-T209 PolarHBondContact N-O 2.86Å; R86-T209 PolarHBondContact O-N 2.81Å |
| 87 | D | 95.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.6 | 170.5 | -47.7 | -54.4 | 0 | 0 | 0 | 108.6 | I89 K90 | D87-I89 VanDerWaalsContact C-N 3.31Å; D87-I89 PolarHBondContact O-N 2.82Å; D87-K90 HydrophobicContact CB-CD 4.06Å; D87-K90 HydrophobicContact CB-CG 4.18Å; D87-K90 WeakPolarHBondContact O-CB 3.29Å; D87-K90 PolarHBondContact O-N 2.56Å; D87-K90 WeakPolarHBondContact OD2-CD 3.43Å; D87-K90 VanDerWaalsContact OD2-CE 3.26Å; D87-K90 WeakPolarHBondContact OD2-CE 3.36Å; D87-K90 IonicContact OD2-NZ 2.81Å; D87-K90 PolarHBondContact OD2-NZ 2.86Å |
| 88 | T | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -43.4 | -170.9 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | R86 K90 V91 F92 V122 F205 G207 R208 T209 | R86-T88 PolarHBondContact O-N 2.81Å; T88-K90 PolarHBondContact O-N 3.2Å; T88-V91 PolarHBondContact O-N 3.03Å; T88-F92 HydrophobicContact CG2-CD2 3.87Å; T88-F92 PolarHBondContact O-N 2.89Å; T88-V122 HydrophobicContact CG2-CG1 3.81Å; T88-F205 WeakPolarHBondContact CB-O 3.29Å; T88-F205 HydrophobicContact CG2-CB 3.9Å; T88-F205 HydrophobicContact CG2-CD1 3.63Å; T88-F205 HydrophobicContact CG2-CG 4.25Å; T88-F205 WeakPolarHBondContact CG2-O 3.46Å; T88-G207 PolarHBondContact N-O 2.81Å; T88-G207 VanDerWaalsContact OG1-C 3.26Å; T88-G207 PolarHBondContact OG1-O 2.91Å; T88-R208 VanDerWaalsContact OG1-CA 3.25Å; T88-R208 WeakPolarHBondContact OG1-CA 3.4Å; T88-R208 PolarHBondContact OG1-N 2.88Å; T88-R208 VanDerWaalsContact OG1-N 3.11Å; T88-R208 PolarHBondContact OG1-O 3.09Å; T88-T209 PolarHBondContact OG1-N 2.86Å |
| 89 | I | 93.7 | Very high | 90.9 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 42% | 0.415 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65 | -16.6 | 177.7 | -161.7 | 167.2 | 0 | 0 | 0 | 114.6 | D87 P93 F205 | D87-I89 VanDerWaalsContact C-N 3.31Å; D87-I89 PolarHBondContact O-N 2.82Å; I89-P93 VanDerWaalsContact O-CA 3.23Å; I89-P93 WeakPolarHBondContact O-CA 3.17Å; I89-F205 PolarHBondContact N-O 2.83Å |
| 90 | K | 93.2 | Very high | 91.2 | Very high | 159 Ų | 159 | 61.6 Ų | 61.6 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -83.7 | -15.2 | 173 | -68.2 | 178.5 | -176.5 | 159.9 | 0 | 113.1 | D87 T88 | D87-K90 HydrophobicContact CB-CD 4.06Å; D87-K90 HydrophobicContact CB-CG 4.18Å; D87-K90 WeakPolarHBondContact O-CB 3.29Å; D87-K90 PolarHBondContact O-N 2.56Å; D87-K90 WeakPolarHBondContact OD2-CD 3.43Å; D87-K90 VanDerWaalsContact OD2-CE 3.26Å; D87-K90 WeakPolarHBondContact OD2-CE 3.36Å; D87-K90 IonicContact OD2-NZ 2.81Å; D87-K90 PolarHBondContact OD2-NZ 2.86Å; T88-K90 PolarHBondContact O-N 3.2Å |
| 91 | V | 93.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -103.1 | -39.3 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | F57 L59 F63 R86 T88 P93 T209 | F57-V91 WeakPolarHBondContact CD1-O 3.42Å; F57-V91 WeakPolarHBondContact CE1-O 3.33Å; L59-V91 HydrophobicContact CD2-CG1 3.55Å; F63-V91 HydrophobicContact CE2-CG2 4.38Å; R86-V91 HydrophobicContact CB-CG2 3.97Å; T88-V91 PolarHBondContact O-N 3.03Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å; V91-T209 HydrophobicContact CB-CG2 4.11Å; V91-T209 HydrophobicContact CG2-CG2 3.68Å |
| 92 | F | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | trans | -124.7 | 71.7 | -178.2 | -48.8 | -65.9 | 0 | 0 | 0 | 109.8 | F57 L59 T88 K94 G95 L96 W120 F205 I230 | F57-F92 HydrophobicContact CB-CD1 4.47Å; F57-F92 HydrophobicContact CB-CE1 4.04Å; F57-F92 AromaticContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CE1 4.34Å; F57-F92 AromaticContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CE1 4.01Å; F57-F92 HydrophobicContact CE1-CD1 4.07Å; F57-F92 HydrophobicContact CE2-CD1 4.09Å; F57-F92 AromaticContact CG-CD1 3.84Å; F57-F92 HydrophobicContact CG-CD1 3.84Å; F57-F92 AromaticContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CZ-CD1 4.16Å; L59-F92 HydrophobicContact CD2-CE1 4.12Å; L59-F92 HydrophobicContact CD2-CZ 3.85Å; T88-F92 HydrophobicContact CG2-CD2 3.87Å; T88-F92 PolarHBondContact O-N 2.89Å; F92-K94 PolarHBondContact O-N 3.22Å; F92-G95 PolarHBondContact O-N 2.72Å; F92-L96 HydrophobicContact CD1-CD2 3.58Å; F92-L96 HydrophobicContact CD1-CG 4.11Å; F92-L96 HydrophobicContact CE1-CD2 3.78Å; F92-L96 HydrophobicContact CE1-CG 4.42Å; F92-L96 HydrophobicContact CG-CD2 4.34Å; F92-L96 HydrophobicContact CG-CG 4.41Å; F92-W120 AromaticContact CE2-CZ2 3.94Å; F92-W120 HydrophobicContact CE2-CZ2 3.94Å; F92-W120 AromaticContact CZ-CZ2 3.84Å; F92-W120 HydrophobicContact CZ-CZ2 3.84Å; F92-F205 HydrophobicContact CB-CD1 4.2Å; F92-F205 HydrophobicContact CD2-CD1 4.41Å; F92-I230 HydrophobicContact CE1-CD1 3.98Å; F92-I230 HydrophobicContact CZ-CD1 3.8Å | ||
| 93 | P | 90.1 | Very high | 93 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21 | -172.4 | 26 | -35.5 | 0 | 0 | 0 | 114.2 | I89 V91 | I89-P93 VanDerWaalsContact O-CA 3.23Å; I89-P93 WeakPolarHBondContact O-CA 3.17Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å |
| 94 | K | 89.4 | Confident | 93.2 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 20.2 | 172.2 | -67.4 | -176.3 | 168.8 | -172.3 | 0 | 112.4 | E31 E32 F92 | E31-K94 VanDerWaalsContact C-NZ 3.31Å; E31-K94 VanDerWaalsContact CB-NZ 3.31Å; E31-K94 PolarHBondContact O-NZ 3.44Å; E31-K94 IonicContact OE2-NZ 2.7Å; E31-K94 PolarHBondContact OE2-NZ 3.14Å; E32-K94 WeakPolarHBondContact O-CD 3.18Å; E32-K94 PolarHBondContact O-NZ 2.85Å; F92-K94 PolarHBondContact O-N 3.22Å |
| 95 | G | 89.6 | Confident | 93.1 | Very high | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | trans | 68.5 | -150.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F92 | F92-G95 PolarHBondContact O-N 2.72Š| ||
| 96 | L | 91.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | trans | -123.2 | 151.4 | 173 | -67.2 | 172.6 | 0 | 0 | 0 | 109.2 | F57 F92 Y100 W120 I131 F205 I230 | F57-L96 HydrophobicContact CD2-CD2 3.84Å; F57-L96 HydrophobicContact CE2-CD2 3.58Å; F57-L96 HydrophobicContact CZ-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CD2 3.58Å; F92-L96 HydrophobicContact CD1-CG 4.11Å; F92-L96 HydrophobicContact CE1-CD2 3.78Å; F92-L96 HydrophobicContact CE1-CG 4.42Å; F92-L96 HydrophobicContact CG-CD2 4.34Å; F92-L96 HydrophobicContact CG-CG 4.41Å; L96-Y100 HydrophobicContact CD1-CD2 4.49Å; L96-Y100 HydrophobicContact CD1-CE2 4.31Å; L96-W120 HydrophobicContact CD1-CH2 3.6Å; L96-W120 HydrophobicContact CD1-CZ2 4.04Å; L96-I131 HydrophobicContact CD1-CD1 4.39Å; L96-F205 HydrophobicContact CB-CE1 4.21Å; L96-F205 HydrophobicContact CB-CZ 3.82Å; L96-F205 HydrophobicContact CD1-CE1 4.08Å; L96-F205 HydrophobicContact CD1-CZ 4.34Å; L96-F205 HydrophobicContact CG-CE1 3.87Å; L96-F205 HydrophobicContact CG-CZ 4.02Å; L96-F205 VanDerWaalsContact N-CZ 3.26Å; L96-I230 HydrophobicContact CD2-CG2 4Å | ||
| 97 | P | 91.5 | Very high | 92.9 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 20% | 0.195 | 20% | 0.195 | C | C | . | . | trans | -62.9 | 165.1 | 169.7 | 29.2 | -36 | 0 | 0 | 0 | 111.6 | E99 Y100 C232 | P97-E99 VanDerWaalsContact CG-O 3.31Å; P97-E99 WeakPolarHBondContact CG-O 3.33Å; P97-Y100 WeakPolarHBondContact O-CD1 3.42Å; P97-C232 HydrophobicContact CG-CB 3.87Å | ||
| 98 | E | 87.4 | Confident | 92.9 | Very high | 135 Ų | 135 | 36 Ų | 36 | 63% | 0.631 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -58 | -51.4 | 175.9 | -170.3 | -175.8 | 151.2 | 0 | 0 | 111.2 | S180 | E98-S180 WeakPolarHBondContact OE1-CB 2.95Å; E98-S180 PolarHBondContact OE1-OG 3.15Å |
| 99 | E | 91.1 | Very high | 92.7 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -99.5 | 130.5 | 173.8 | -58 | -150.8 | 137.9 | 0 | 0 | 112.2 | P97 I178 Q179 S180 A234 | P97-E99 VanDerWaalsContact CG-O 3.31Å; P97-E99 WeakPolarHBondContact CG-O 3.33Å; E99-I178 CarbonylContact C-O 3.45Å; E99-I178 VanDerWaalsContact CA-O 3.26Å; E99-I178 WeakPolarHBondContact CA-O 3.44Å; E99-Q179 WeakPolarHBondContact OE1-CA 3.35Å; E99-Q179 WeakPolarHBondContact OE1-CB 3.24Å; E99-Q179 WeakPolarHBondContact OE1-CG 2.95Å; E99-S180 PolarHBondContact OE1-N 2.75Å; E99-A234 HydrophobicContact CB-CB 4.07Å |
| 100 | Y | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 170.8 | -179.1 | 57.9 | -74.4 | 0 | 0 | 0 | 110.7 | L96 P97 V102 W120 I178 K200 I230 Y231 | L96-Y100 HydrophobicContact CD1-CD2 4.49Å; L96-Y100 HydrophobicContact CD1-CE2 4.31Å; P97-Y100 WeakPolarHBondContact O-CD1 3.42Å; Y100-V102 HydrophobicContact CD2-CG2 4.05Å; Y100-V102 HydrophobicContact CE2-CG2 4.08Å; Y100-W120 HydrophobicContact CE2-CH2 4.38Å; Y100-W120 HydrophobicContact CE2-CZ3 4.21Å; Y100-I178 HydrophobicContact CD1-CB 4.11Å; Y100-I178 HydrophobicContact CD1-CG2 4.31Å; Y100-I178 HydrophobicContact CD2-CB 4.49Å; Y100-I178 HydrophobicContact CD2-CD1 3.81Å; Y100-I178 HydrophobicContact CD2-CG1 4.27Å; Y100-I178 HydrophobicContact CE1-CB 3.86Å; Y100-I178 HydrophobicContact CE1-CG1 4.18Å; Y100-I178 HydrophobicContact CE1-CG2 3.7Å; Y100-I178 HydrophobicContact CE2-CB 4.31Å; Y100-I178 HydrophobicContact CE2-CD1 3.65Å; Y100-I178 HydrophobicContact CE2-CG1 3.82Å; Y100-I178 HydrophobicContact CG-CB 4.4Å; Y100-I178 HydrophobicContact CG-CD1 4.46Å; Y100-I178 PolarHBondContact N-O 2.7Å; Y100-I178 WeakPolarHBondContact O-CA 3.19Å; Y100-I178 WeakPolarHBondContact O-CB 3.11Å; Y100-I178 PolarHBondContact O-N 2.73Å; Y100-I178 VanDerWaalsContact O-O 3.1Å; Y100-K200 VanDerWaalsContact CE1-NZ 3.29Å; Y100-K200 PolarHBondContact OH-NZ 3.28Å; Y100-I230 HydrophobicContact CD2-CG2 4.01Å; Y100-Y231 CarbonylContact C-O 3.59Å; Y100-Y231 WeakPolarHBondContact CA-O 3.24Å; Y100-Y231 WeakPolarHBondContact CB-O 3.43Å |
| 101 | S | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.5 | 167.8 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | I176 I230 Y231 S233 | S101-I176 CarbonylContact C-O 3.58Å; S101-I176 WeakPolarHBondContact CA-O 3.48Å; S101-I176 WeakPolarHBondContact CB-O 3.45Å; S101-I230 CarbonylContact O-C 3.58Å; S101-I230 VanDerWaalsContact O-CA 3.31Å; S101-I230 WeakPolarHBondContact O-CA 3.34Å; S101-Y231 PolarHBondContact N-O 3.41Å; S101-Y231 PolarHBondContact O-N 3.07Å; S101-S233 PolarHBondContact OG-O 2.8Å |
| 102 | V | 95.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.5 | -178.7 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | Y100 W120 I133 G175 I176 I178 L228 I230 | Y100-V102 HydrophobicContact CD2-CG2 4.05Å; Y100-V102 HydrophobicContact CE2-CG2 4.08Å; V102-W120 HydrophobicContact CG2-CE3 4.26Å; V102-W120 HydrophobicContact CG2-CZ3 4.02Å; V102-I133 HydrophobicContact CB-CD1 4.07Å; V102-I133 HydrophobicContact CG1-CD1 3.82Å; V102-I133 HydrophobicContact CG2-CD1 4.17Å; V102-G175 CarbonylContact O-C 3.54Å; V102-G175 WeakPolarHBondContact O-CA 3.43Å; V102-I176 PolarHBondContact N-O 3.23Å; V102-I176 PolarHBondContact O-N 2.72Å; V102-I178 HydrophobicContact CG2-CD1 4.17Å; V102-L228 HydrophobicContact CG1-CD1 4.41Å; V102-I230 HydrophobicContact CG1-CG1 4.25Å; V102-I230 HydrophobicContact CG2-CD1 4.24Å; V102-I230 HydrophobicContact CG2-CG1 4.07Å; V102-I230 HydrophobicContact CG2-CG2 4.36Å |
| 103 | T | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.3 | 177.9 | -52.1 | 0 | 0 | 0 | 0 | 110 | K173 L174 L228 K229 Y231 I237 E240 | T103-K173 HydrophobicContact CG2-CG 3.98Å; T103-L174 WeakPolarHBondContact CA-O 3.37Å; T103-L228 WeakPolarHBondContact O-CA 3.4Å; T103-K229 PolarHBondContact N-O 2.75Å; T103-K229 PolarHBondContact O-N 3.04Å; T103-Y231 WeakPolarHBondContact OG1-CE2 3.05Å; T103-I237 WeakPolarHBondContact OG1-CD1 3.45Å; T103-E240 HydrophobicContact CG2-CG 3.86Å; T103-E240 WeakPolarHBondContact OG1-CG 3.25Å |
| 104 | A | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F106 L119 L174 Q227 L228 | A104-F106 HydrophobicContact CB-CD1 3.81Å; A104-F106 HydrophobicContact CB-CE1 3.92Å; A104-L119 HydrophobicContact CB-CD1 3.81Å; A104-L119 HydrophobicContact CB-CD2 3.73Å; A104-L119 HydrophobicContact CB-CG 4.25Å; A104-L174 PolarHBondContact N-O 3.07Å; A104-L174 PolarHBondContact O-N 3.26Å; A104-Q227 CarbonylContact C-O 3.56Å; A104-Q227 VanDerWaalsContact CA-O 3.29Å; A104-Q227 WeakPolarHBondContact CA-O 3.49Å; A104-L228 HydrophobicContact CB-CD1 3.68Å |
| 105 | M | 93.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116.8 | 170.8 | -175.1 | 175.4 | 138.4 | 0 | 0 | 109.5 | K74 W171 H172 K173 H226 Q227 | K74-M105 HydrophobicContact CD-CE 3.8Å; M105-W171 HydrophobicContact CE-CB 4.31Å; M105-W171 HydrophobicContact CE-CD2 4.1Å; M105-W171 HydrophobicContact CE-CE3 3.91Å; M105-W171 HydrophobicContact CE-CG 4.3Å; M105-W171 HydrophobicContact CG-CE3 4.2Å; M105-H172 VanDerWaalsContact CA-O 3.29Å; M105-H172 WeakPolarHBondContact CA-O 3.23Å; M105-K173 HydrophobicContact CB-CG 4.28Å; M105-K173 HydrophobicContact CG-CB 4.49Å; M105-H226 HydrophobicContact CB-CB 4.19Å; M105-H226 HydrophobicContact CE-CB 3.92Å; M105-H226 HydrophobicContact CG-CB 4.1Å; M105-H226 PolarHBondContact O-N 3.21Å; M105-H226 HydrophobicContact SD-CB 4.34Å; M105-H226 PolarHBondContact SD-CD2 2.91Å; M105-Q227 HydrophobicContact CB-CB 4.11Å; M105-Q227 PolarHBondContact N-O 2.77Å; M105-Q227 PolarHBondContact O-N 2.92Å |
| 106 | F | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.4 | -175.6 | 58.7 | -92.1 | 0 | 0 | 0 | 113.9 | A104 V108 W117 L119 V135 L166 H172 L174 I223 E224 L225 | A104-F106 HydrophobicContact CB-CD1 3.81Å; A104-F106 HydrophobicContact CB-CE1 3.92Å; F106-V108 HydrophobicContact CD2-CG2 3.66Å; F106-V108 HydrophobicContact CE2-CG2 3.57Å; F106-W117 AromaticContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CZ2 4.37Å; F106-W117 HydrophobicContact CE1-CH2 4.35Å; F106-W117 AromaticContact CE2-CH2 3.58Å; F106-W117 HydrophobicContact CE2-CH2 3.58Å; F106-W117 AromaticContact CE2-CZ2 3.84Å; F106-W117 HydrophobicContact CE2-CZ2 3.84Å; F106-W117 AromaticContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CZ2 4.32Å; F106-L119 HydrophobicContact CD1-CD1 4.24Å; F106-L119 HydrophobicContact CE1-CD1 4.07Å; F106-L119 HydrophobicContact CE1-CD2 4.16Å; F106-V135 HydrophobicContact CZ-CG2 4.45Å; F106-L166 HydrophobicContact CE2-CD1 3.72Å; F106-L166 HydrophobicContact CE2-CG 4.16Å; F106-L166 HydrophobicContact CZ-CD1 3.68Å; F106-L166 HydrophobicContact CZ-CD2 4.3Å; F106-L166 HydrophobicContact CZ-CG 4.24Å; F106-H172 PolarHBondContact N-O 3.31Å; F106-H172 PolarHBondContact O-N 3.37Å; F106-H172 VanDerWaalsContact O-N 3.07Å; F106-L174 HydrophobicContact CE1-CB 4.1Å; F106-L174 HydrophobicContact CE1-CD2 4.21Å; F106-L174 HydrophobicContact CZ-CD2 4.23Å; F106-I223 HydrophobicContact CB-CD1 4.31Å; F106-E224 CarbonylContact C-O 3.47Å; F106-E224 WeakPolarHBondContact CA-O 3.07Å; F106-E224 VanDerWaalsContact CB-O 3.29Å; F106-E224 WeakPolarHBondContact CB-O 3.22Å; F106-L225 HydrophobicContact CB-CD1 4.04Å |
| 107 | R | 92.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 15% | 0.151 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.5 | 174.3 | 178.6 | 164.9 | 85.1 | 149.7 | 2.1 | 109.6 | E71 R169 Q170 W171 E224 | E71-R107 IonicContact OE2-CZ 3.77Å; E71-R107 IonicContact OE2-NH1 3.93Å; E71-R107 PolarHBondContact OE2-NH1 3.48Å; E71-R107 IonicContact OE2-NH2 3.31Å; E71-R107 PolarHBondContact OE2-NH2 3.32Å; R107-R169 WeakPolarHBondContact CD-O 3.25Å; R107-R169 WeakPolarHBondContact CG-O 3.42Å; R107-Q170 WeakPolarHBondContact CA-O 3.34Å; R107-Q170 WeakPolarHBondContact CG-O 3.45Å; R107-W171 HydrophobicContact CB-CD2 3.73Å; R107-W171 HydrophobicContact CB-CE3 3.82Å; R107-W171 HydrophobicContact CB-CG 4.22Å; R107-W171 HydrophobicContact CB-CH2 4.32Å; R107-W171 HydrophobicContact CB-CZ2 4.24Å; R107-W171 HydrophobicContact CB-CZ3 4.11Å; R107-E224 HydrophobicContact CB-CB 4.3Å; R107-E224 IonicContact CZ-OE2 2.75Å; R107-E224 PolarHBondContact N-O 3.36Å; R107-E224 IonicContact NE-OE2 2.71Å; R107-E224 PolarHBondContact NE-OE2 3.44Å; R107-E224 IonicContact NH2-OE1 2.92Å; R107-E224 PolarHBondContact NH2-OE1 3.45Å; R107-E224 IonicContact NH2-OE2 2.83Å; R107-E224 PolarHBondContact NH2-OE2 3.22Å; R107-E224 PolarHBondContact O-N 3.49Å |
| 108 | V | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.5 | -177.8 | -177 | 0 | 0 | 0 | 0 | 110.4 | F106 A112 K113 W117 L166 F167 R169 I223 | F106-V108 HydrophobicContact CD2-CG2 3.66Å; F106-V108 HydrophobicContact CE2-CG2 3.57Å; V108-A112 HydrophobicContact CG1-CB 3.83Å; V108-K113 HydrophobicContact CG1-CB 4.48Å; V108-W117 HydrophobicContact CG2-CZ2 4.22Å; V108-L166 VanDerWaalsContact CG2-O 3.25Å; V108-L166 WeakPolarHBondContact CG2-O 3.46Å; V108-F167 HydrophobicContact CG1-CD1 4.33Å; V108-R169 WeakPolarHBondContact O-CA 3.41Å; V108-R169 WeakPolarHBondContact O-CG 3.49Å; V108-I223 HydrophobicContact CG1-CG2 4.48Å; V108-I223 HydrophobicContact CG2-CG2 4.44Å |
| 109 | R | 92.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 38% | 0.381 | 19% | 0.191 | S | C | . | . | trans | -87.8 | 178.1 | -178.9 | -60 | 170.5 | 152 | -168.1 | -3.2 | 112.8 | N111 K113 D222 E224 | R109-N111 VanDerWaalsContact C-N 3.28Å; R109-N111 PolarHBondContact O-N 3.31Å; R109-K113 WeakPolarHBondContact O-CB 3.45Å; R109-K113 PolarHBondContact O-N 2.88Å; R109-K113 VanDerWaalsContact O-N 3.09Å; R109-D222 VanDerWaalsContact CB-O 3.28Å; R109-D222 WeakPolarHBondContact CB-O 3.4Å; R109-D222 WeakPolarHBondContact CB-OD2 3.48Å; R109-D222 VanDerWaalsContact CD-CG 3.48Å; R109-D222 WeakPolarHBondContact CD-OD1 3.49Å; R109-D222 IonicContact CZ-OD1 2.74Å; R109-D222 PolarHBondContact N-O 3.23Å; R109-D222 IonicContact NE-OD1 3.95Å; R109-D222 IonicContact NH1-OD1 3.48Å; R109-D222 PolarHBondContact NH1-OD1 3.33Å; R109-E224 IonicContact CZ-OE1 3.73Å; R109-E224 IonicContact NE-OE1 2.7Å; R109-E224 PolarHBondContact NE-OE1 3.21Å; R109-E224 IonicContact NH2-OE1 2.73Å; R109-E224 PolarHBondContact NH2-OE1 3.32Å | ||
| 110 | R | 90.4 | Very high | 94.4 | Very high | 199 Ų | 199 | 41.4 Ų | 41.4 | 75% | 0.751 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -39.1 | -172.6 | -176.3 | -177.5 | -72.9 | -165.2 | -0.3 | 112.8 | ||
| 111 | N | 88.5 | Confident | 94.6 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 54% | 0.54 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -56 | -176.3 | -55.9 | -45.9 | 0 | 0 | 0 | 110.6 | R109 K113 K114 D222 | R109-N111 VanDerWaalsContact C-N 3.28Å; R109-N111 PolarHBondContact O-N 3.31Å; N111-K113 PolarHBondContact O-N 3.14Å; N111-K114 PolarHBondContact O-N 3.22Å; N111-D222 HydrophobicContact CB-CB 4.25Å; N111-D222 PolarHBondContact ND2-OD2 3.14Å |
| 112 | A | 92.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -58.2 | -21.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V108 K114 E115 V221 D222 I223 | V108-A112 HydrophobicContact CG1-CB 3.83Å; A112-K114 PolarHBondContact O-N 3.16Å; A112-E115 WeakPolarHBondContact CA-OE2 3.1Å; A112-E115 PolarHBondContact O-N 2.97Å; A112-E115 VanDerWaalsContact O-N 3.09Å; A112-V221 HydrophobicContact CB-CG2 3.54Å; A112-D222 WeakPolarHBondContact CB-O 3.13Å; A112-I223 HydrophobicContact CB-CG2 3.89Å |
| 113 | K | 93.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 33% | 0.326 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -54.7 | -22.2 | 178.2 | -179.5 | 162.5 | -177.3 | 147.8 | 0 | 114.6 | V108 R109 N111 G137 K140 F167 | V108-K113 HydrophobicContact CG1-CB 4.48Å; R109-K113 WeakPolarHBondContact O-CB 3.45Å; R109-K113 PolarHBondContact O-N 2.88Å; R109-K113 VanDerWaalsContact O-N 3.09Å; N111-K113 PolarHBondContact O-N 3.14Å; K113-G137 CarbonylContact O-C 3.57Å; K113-G137 VanDerWaalsContact O-O 3.06Å; K113-K140 PolarHBondContact O-NZ 2.8Å; K113-F167 WeakPolarHBondContact CD-O 3.19Å; K113-F167 WeakPolarHBondContact CE-O 3.39Å; K113-F167 HydrophobicContact CG-CB 4.35Å; K113-F167 PolarHBondContact NZ-O 3.13Å |
| 114 | K | 94.1 | Very high | 94.5 | Very high | 177 Ų | 177 | 43.9 Ų | 43.9 | 77% | 0.77 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -116.8 | -7 | 174.1 | -70 | -173.3 | 178.3 | -177.3 | 0 | 114.2 | N111 A112 G138 | N111-K114 PolarHBondContact O-N 3.22Å; A112-K114 PolarHBondContact O-N 3.16Å; K114-G138 PolarHBondContact O-N 3.15Å |
| 115 | E | 95.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | trans | -78 | 160.3 | -177.8 | -65.4 | -179.5 | 138 | 0 | 0 | 111.7 | A112 G137 R214 | A112-E115 WeakPolarHBondContact CA-OE2 3.1Å; A112-E115 PolarHBondContact O-N 2.97Å; A112-E115 VanDerWaalsContact O-N 3.09Å; E115-G137 WeakPolarHBondContact O-CA 3.21Å; E115-G137 PolarHBondContact O-N 3.12Å; E115-R214 VanDerWaalsContact CD-CD 3.42Å; E115-R214 VanDerWaalsContact OE1-CD 3.22Å; E115-R214 WeakPolarHBondContact OE1-CD 3.43Å; E115-R214 IonicContact OE1-CZ 2.72Å; E115-R214 IonicContact OE1-NE 3.43Å; E115-R214 IonicContact OE1-NH1 3.23Å; E115-R214 PolarHBondContact OE1-NH1 3.11Å; E115-R214 WeakPolarHBondContact OE2-CD 3.46Å | ||
| 116 | R | 96.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.5 | 167.4 | -176.2 | -174.3 | 172.4 | 90.9 | -0.8 | 108.1 | V134 D136 E143 V215 | R116-V134 HydrophobicContact CG-CG1 3.69Å; R116-D136 WeakPolarHBondContact CD-OD2 3.26Å; R116-D136 HydrophobicContact CG-CB 4.18Å; R116-D136 IonicContact CZ-OD2 2.93Å; R116-D136 IonicContact NH1-OD2 3.46Å; R116-D136 PolarHBondContact NH1-OD2 2.85Å; R116-E143 IonicContact CZ-OE1 3.3Å; R116-E143 IonicContact CZ-OE2 2.67Å; R116-E143 IonicContact NH1-OE1 3.91Å; R116-E143 PolarHBondContact NH1-OE1 2.85Å; R116-E143 IonicContact NH1-OE2 2.91Å; R116-E143 PolarHBondContact NH1-OE2 2.81Å; R116-E143 IonicContact NH2-OE1 2.79Å; R116-E143 IonicContact NH2-OE2 3.35Å; R116-E143 PolarHBondContact NH2-OE2 2.84Å; R116-V215 HydrophobicContact CB-CG2 4.49Å; R116-V215 HydrophobicContact CG-CB 4.46Å; R116-V215 HydrophobicContact CG-CG2 3.94Å; R116-V215 WeakPolarHBondContact O-CB 3.45Å; R116-V215 WeakPolarHBondContact O-CG2 3.45Å; R116-V215 PolarHBondContact O-N 2.79Å |
| 117 | W | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.1 | -171.7 | 53.2 | -85.6 | 0 | 0 | 0 | 112 | F106 V108 L119 V134 V135 T213 R214 V221 I223 | F106-W117 AromaticContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CZ2 4.37Å; F106-W117 HydrophobicContact CE1-CH2 4.35Å; F106-W117 AromaticContact CE2-CH2 3.58Å; F106-W117 HydrophobicContact CE2-CH2 3.58Å; F106-W117 AromaticContact CE2-CZ2 3.84Å; F106-W117 HydrophobicContact CE2-CZ2 3.84Å; F106-W117 AromaticContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CZ2 4.32Å; V108-W117 HydrophobicContact CG2-CZ2 4.22Å; W117-L119 HydrophobicContact CE3-CB 4.41Å; W117-L119 HydrophobicContact CH2-CD1 4.36Å; W117-L119 HydrophobicContact CZ3-CB 3.89Å; W117-L119 HydrophobicContact CZ3-CD1 3.86Å; W117-L119 HydrophobicContact CZ3-CG 4.48Å; W117-V134 WeakPolarHBondContact O-CA 3.49Å; W117-V134 WeakPolarHBondContact O-CG1 3.44Å; W117-V135 HydrophobicContact CD2-CB 3.97Å; W117-V135 HydrophobicContact CE3-CB 4.34Å; W117-V135 HydrophobicContact CH2-CB 4.1Å; W117-V135 HydrophobicContact CH2-CG1 4.37Å; W117-V135 HydrophobicContact CH2-CG2 3.93Å; W117-V135 HydrophobicContact CZ2-CB 3.69Å; W117-V135 HydrophobicContact CZ2-CG1 3.63Å; W117-V135 HydrophobicContact CZ2-CG2 4.01Å; W117-V135 HydrophobicContact CZ3-CB 4.4Å; W117-V135 HydrophobicContact CZ3-CG2 4.19Å; W117-V135 PolarHBondContact N-O 3.36Å; W117-V135 PolarHBondContact O-N 3.47Å; W117-T213 CarbonylContact C-O 3.57Å; W117-T213 WeakPolarHBondContact CA-O 3.47Å; W117-T213 WeakPolarHBondContact CB-O 3.4Å; W117-R214 HydrophobicContact CB-CG 4.46Å; W117-V221 HydrophobicContact CB-CB 4.06Å; W117-V221 HydrophobicContact CB-CG1 4.37Å; W117-V221 HydrophobicContact CB-CG2 3.95Å; W117-V221 HydrophobicContact CD2-CB 4.38Å; W117-V221 HydrophobicContact CD2-CG1 3.9Å; W117-V221 HydrophobicContact CD2-CG2 4.1Å; W117-V221 HydrophobicContact CE3-CG1 3.77Å; W117-V221 HydrophobicContact CG-CB 4.17Å; W117-V221 HydrophobicContact CG-CG1 4.2Å; W117-V221 HydrophobicContact CG-CG2 3.71Å; W117-V221 HydrophobicContact CZ3-CG1 4.29Å; W117-I223 HydrophobicContact CH2-CD1 3.72Å; W117-I223 HydrophobicContact CH2-CG2 4.31Å; W117-I223 HydrophobicContact CZ2-CD1 4.48Å; W117-I223 HydrophobicContact CZ2-CG2 4.06Å; W117-I223 HydrophobicContact CZ3-CD1 3.74Å |
| 118 | F | 97.7 | Very high | 94.1 | Very high | 35 Ų | 35 | 61 Ų | 61 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.9 | 172.2 | -57.3 | -59.6 | 0 | 0 | 0 | 108.9 | Q121 S132 I133 V134 A212 T213 V215 | F118-Q121 HydrophobicContact CB-CB 4.34Å; F118-Q121 HydrophobicContact CD1-CB 4.41Å; F118-Q121 HydrophobicContact CG-CB 4.32Å; F118-Q121 VanDerWaalsContact CZ-NE2 3.25Å; F118-S132 VanDerWaalsContact CD1-OG 3.22Å; F118-S132 WeakPolarHBondContact CD1-OG 3.43Å; F118-S132 WeakPolarHBondContact CE1-OG 3.44Å; F118-I133 CarbonylContact C-O 3.58Å; F118-I133 WeakPolarHBondContact CA-O 3.36Å; F118-V134 HydrophobicContact CD1-CG1 4.45Å; F118-V134 HydrophobicContact CD1-CG2 3.97Å; F118-V134 HydrophobicContact CE1-CG2 4.01Å; F118-A212 CarbonylContact O-C 3.55Å; F118-A212 WeakPolarHBondContact O-CA 3.43Å; F118-A212 PolarHBondContact O-N 2.8Å; F118-A212 VanDerWaalsContact O-N 3.11Å; F118-T213 PolarHBondContact N-O 3.28Å; F118-T213 PolarHBondContact O-N 3.43Å; F118-V215 HydrophobicContact CD1-CG2 4.12Å; F118-V215 HydrophobicContact CD2-CG2 4.03Å; F118-V215 HydrophobicContact CE1-CG2 3.83Å; F118-V215 HydrophobicContact CE2-CB 4.29Å; F118-V215 HydrophobicContact CE2-CG1 4.37Å; F118-V215 HydrophobicContact CE2-CG2 3.74Å; F118-V215 HydrophobicContact CG-CG2 4.22Å; F118-V215 HydrophobicContact CZ-CB 4.34Å; F118-V215 HydrophobicContact CZ-CG1 4.09Å; F118-V215 HydrophobicContact CZ-CG2 3.64Å |
| 119 | L | 97.6 | Very high | 94 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -46.6 | 167.8 | 174.3 | 61.4 | 0 | 0 | 0 | 109.5 | A104 F106 W117 I133 V135 L174 I211 A212 L228 | A104-L119 HydrophobicContact CB-CD1 3.81Å; A104-L119 HydrophobicContact CB-CD2 3.73Å; A104-L119 HydrophobicContact CB-CG 4.25Å; F106-L119 HydrophobicContact CD1-CD1 4.24Å; F106-L119 HydrophobicContact CE1-CD1 4.07Å; F106-L119 HydrophobicContact CE1-CD2 4.16Å; W117-L119 HydrophobicContact CE3-CB 4.41Å; W117-L119 HydrophobicContact CH2-CD1 4.36Å; W117-L119 HydrophobicContact CZ3-CB 3.89Å; W117-L119 HydrophobicContact CZ3-CD1 3.86Å; W117-L119 HydrophobicContact CZ3-CG 4.48Å; L119-I133 HydrophobicContact CB-CB 4.33Å; L119-I133 HydrophobicContact CB-CG2 4.2Å; L119-I133 HydrophobicContact CD2-CG2 4.12Å; L119-I133 PolarHBondContact N-O 3.35Å; L119-V135 HydrophobicContact CB-CG2 4.26Å; L119-L174 HydrophobicContact CD2-CD2 4.18Å; L119-I211 WeakPolarHBondContact O-CA 3.31Å; L119-A212 PolarHBondContact O-N 3.02Å; L119-L228 HydrophobicContact CD1-CD1 4.24Å; L119-L228 HydrophobicContact CG-CD1 4.37Å |
| 120 | W | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 147 | 170.5 | 169.4 | 55.2 | 0 | 0 | 0 | 109.7 | L59 F92 L96 Y100 V102 V122 I131 I133 T209 V210 I211 I230 | L59-W120 HydrophobicContact CD1-CG 4.24Å; F92-W120 AromaticContact CE2-CZ2 3.94Å; F92-W120 HydrophobicContact CE2-CZ2 3.94Å; F92-W120 AromaticContact CZ-CZ2 3.84Å; F92-W120 HydrophobicContact CZ-CZ2 3.84Å; L96-W120 HydrophobicContact CD1-CH2 3.6Å; L96-W120 HydrophobicContact CD1-CZ2 4.04Å; Y100-W120 HydrophobicContact CE2-CH2 4.38Å; Y100-W120 HydrophobicContact CE2-CZ3 4.21Å; V102-W120 HydrophobicContact CG2-CE3 4.26Å; V102-W120 HydrophobicContact CG2-CZ3 4.02Å; W120-V122 HydrophobicContact CH2-CG2 4.18Å; W120-V122 HydrophobicContact CZ2-CG2 3.33Å; W120-I131 HydrophobicContact CE3-CG2 4.4Å; W120-I131 HydrophobicContact CH2-CD1 3.86Å; W120-I131 HydrophobicContact CH2-CG2 4.05Å; W120-I131 HydrophobicContact CZ3-CG2 3.78Å; W120-I133 HydrophobicContact CE3-CD1 3.82Å; W120-I133 HydrophobicContact CE3-CG1 4.22Å; W120-I133 PolarHBondContact O-N 3.34Å; W120-T209 PolarHBondContact NE1-OG1 3.1Å; W120-T209 VanDerWaalsContact NE1-OG1 3.1Å; W120-V210 CarbonylContact C-O 3.57Å; W120-V210 WeakPolarHBondContact CA-O 3.48Å; W120-I211 HydrophobicContact CB-CG2 4.31Å; W120-I211 HydrophobicContact CG-CG2 4.4Å; W120-I230 HydrophobicContact CD2-CD1 4.03Å; W120-I230 HydrophobicContact CE3-CD1 3.97Å; W120-I230 HydrophobicContact CH2-CD1 3.56Å; W120-I230 HydrophobicContact CZ2-CD1 3.59Å; W120-I230 HydrophobicContact CZ3-CD1 3.76Å |
| 121 | Q | 96.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 141.4 | 174.2 | 161.3 | 179.5 | 87.2 | 0 | 0 | 110.6 | F118 L123 I131 S132 T209 V210 | F118-Q121 HydrophobicContact CB-CB 4.34Å; F118-Q121 HydrophobicContact CD1-CB 4.41Å; F118-Q121 HydrophobicContact CG-CB 4.32Å; F118-Q121 VanDerWaalsContact CZ-NE2 3.25Å; Q121-L123 HydrophobicContact CG-CD2 3.76Å; Q121-L123 HydrophobicContact CG-CG 4.2Å; Q121-I131 CarbonylContact C-O 3.55Å; Q121-I131 VanDerWaalsContact CA-O 3.28Å; Q121-I131 WeakPolarHBondContact CA-O 3.4Å; Q121-S132 PolarHBondContact NE2-OG 2.83Å; Q121-S132 VanDerWaalsContact NE2-OG 3.15Å; Q121-T209 WeakPolarHBondContact O-CA 3.38Å; Q121-V210 HydrophobicContact CB-CG2 3.7Å; Q121-V210 HydrophobicContact CG-CG2 4.11Å; Q121-V210 PolarHBondContact N-O 3.07Å; Q121-V210 PolarHBondContact O-N 2.8Å |
| 122 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.1 | 169.1 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | T88 W120 P129 Q130 I131 V203 | T88-V122 HydrophobicContact CG2-CG1 3.81Å; W120-V122 HydrophobicContact CH2-CG2 4.18Å; W120-V122 HydrophobicContact CZ2-CG2 3.33Å; V122-P129 CarbonylContact O-C 3.51Å; V122-P129 WeakPolarHBondContact O-CA 3.47Å; V122-Q130 HydrophobicContact CB-CB 4.46Å; V122-Q130 HydrophobicContact CG1-CB 4.28Å; V122-Q130 PolarHBondContact O-N 3.4Å; V122-I131 HydrophobicContact CB-CB 4.25Å; V122-I131 HydrophobicContact CG2-CB 4.35Å; V122-I131 HydrophobicContact CG2-CD1 4.31Å; V122-I131 PolarHBondContact N-O 3.37Å; V122-I131 PolarHBondContact O-N 3.3Å; V122-V203 HydrophobicContact CG1-CG1 4.48Å |
| 123 | L | 94.9 | Very high | 95 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.6 | 172.1 | -55 | 176.9 | 0 | 0 | 0 | 108.9 | Q121 I128 P129 G207 R208 | Q121-L123 HydrophobicContact CG-CD2 3.76Å; Q121-L123 HydrophobicContact CG-CG 4.2Å; L123-I128 WeakPolarHBondContact CA-O 3.49Å; L123-P129 HydrophobicContact CD2-CB 3.93Å; L123-G207 CarbonylContact O-C 3.6Å; L123-G207 VanDerWaalsContact O-CA 3.27Å; L123-G207 WeakPolarHBondContact O-CA 3.47Å; L123-R208 WeakPolarHBondContact CA-O 3.2Å; L123-R208 WeakPolarHBondContact CB-O 3.35Å; L123-R208 PolarHBondContact N-O 3.38Å; L123-R208 PolarHBondContact O-N 2.85Å |
| 124 | N | 93.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -178.2 | 169.7 | 73.3 | 4.4 | 0 | 0 | 0 | 112.3 | Q126 N127 I128 Q130 D204 | N124-Q126 PolarHBondContact ND2-OE1 3.2Å; N124-Q126 VanDerWaalsContact ND2-OE1 3.13Å; N124-Q126 PolarHBondContact O-N 2.99Å; N124-Q126 WeakPolarHBondContact OD1-CA 3.48Å; N124-Q126 PolarHBondContact OD1-N 3.04Å; N124-Q126 PolarHBondContact OD1-OE1 2.87Å; N124-N127 WeakPolarHBondContact O-CA 3.43Å; N124-N127 PolarHBondContact O-N 3.01Å; N124-N127 PolarHBondContact OD1-N 3.37Å; N124-N127 VanDerWaalsContact OD1-N 3.12Å; N124-I128 PolarHBondContact N-O 2.78Å; N124-I128 WeakPolarHBondContact OD1-CB 3.49Å; N124-I128 PolarHBondContact OD1-N 2.87Å; N124-I128 PolarHBondContact OD1-O 3.05Å; N124-Q130 HydrophobicContact CB-CG 3.89Å; N124-D204 HydrophobicContact CB-CB 3.97Å; N124-D204 WeakPolarHBondContact CB-OD2 3.35Å |
| 125 | Q | 93.3 | Very high | 95.4 | Very high | 132 Ų | 132 | 32.1 Ų | 32.1 | 62% | 0.617 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.5 | 178.1 | -120.9 | 161 | 109.7 | 0 | 0 | 113.5 | N127 H206 | Q125-N127 VanDerWaalsContact C-N 3.25Å; Q125-N127 PolarHBondContact O-N 3.4Å; Q125-H206 WeakPolarHBondContact CA-O 3.27Å; Q125-H206 WeakPolarHBondContact CB-O 3.41Å; Q125-H206 WeakPolarHBondContact CG-O 3.2Å; Q125-H206 PolarHBondContact N-O 3.07Å; Q125-H206 VanDerWaalsContact N-O 3.15Å; Q125-H206 VanDerWaalsContact NE2-CB 3.32Å; Q125-H206 PolarHBondContact NE2-O 2.74Å; Q125-H206 VanDerWaalsContact NE2-O 3.09Å |
| 126 | Q | 91.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 30.3 Ų | 30.3 | 57% | 0.57 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.5 | -179.5 | -56.8 | 78.4 | 6.7 | 0 | 0 | 112.7 | N124 I128 | N124-Q126 PolarHBondContact ND2-OE1 3.2Å; N124-Q126 VanDerWaalsContact ND2-OE1 3.13Å; N124-Q126 PolarHBondContact O-N 2.99Å; N124-Q126 WeakPolarHBondContact OD1-CA 3.48Å; N124-Q126 PolarHBondContact OD1-N 3.04Å; N124-Q126 PolarHBondContact OD1-OE1 2.87Å; Q126-I128 VanDerWaalsContact C-N 3.29Å; Q126-I128 HydrophobicContact CB-CD1 4.21Å; Q126-I128 HydrophobicContact CB-CG1 4.19Å |
| 127 | N | 91.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 26.6 Ų | 26.6 | 40% | 0.396 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 66.4 | 23.4 | -175.5 | -50.4 | -82.7 | 0 | 0 | 0 | 114.9 | N124 Q125 R208 | N124-N127 WeakPolarHBondContact O-CA 3.43Å; N124-N127 PolarHBondContact O-N 3.01Å; N124-N127 PolarHBondContact OD1-N 3.37Å; N124-N127 VanDerWaalsContact OD1-N 3.12Å; Q125-N127 VanDerWaalsContact C-N 3.25Å; Q125-N127 PolarHBondContact O-N 3.4Å; N127-R208 PolarHBondContact OD1-NE 2.78Å; N127-R208 PolarHBondContact OD1-NH2 2.88Å |
| 128 | I | 91 | Very high | 95.1 | Very high | 81 Ų | 81 | 29.2 Ų | 29.2 | 42% | 0.415 | 16% | 0.16 | S | C | . | . | trans | -81.1 | 130.6 | 169.3 | -53.8 | 172.8 | 0 | 0 | 0 | 107.5 | L123 N124 Q126 Q130 | L123-I128 WeakPolarHBondContact CA-O 3.49Å; N124-I128 PolarHBondContact N-O 2.78Å; N124-I128 WeakPolarHBondContact OD1-CB 3.49Å; N124-I128 PolarHBondContact OD1-N 2.87Å; N124-I128 PolarHBondContact OD1-O 3.05Å; Q126-I128 VanDerWaalsContact C-N 3.29Å; Q126-I128 HydrophobicContact CB-CD1 4.21Å; Q126-I128 HydrophobicContact CB-CG1 4.19Å; I128-Q130 PolarHBondContact O-N 2.81Å | ||
| 129 | P | 92 | Very high | 95 | Very high | 35 Ų | 35 | 33.1 Ų | 33.1 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131.8 | 178.7 | 28.9 | -34.6 | 0 | 0 | 0 | 111.4 | V122 L123 M145 | V122-P129 CarbonylContact O-C 3.51Å; V122-P129 WeakPolarHBondContact O-CA 3.47Å; L123-P129 HydrophobicContact CD2-CB 3.93Å; P129-M145 HydrophobicContact CB-CE 3.75Å; P129-M145 HydrophobicContact CB-SD 4.08Å; P129-M145 HydrophobicContact CG-CE 3.69Å; P129-M145 HydrophobicContact CG-SD 4.26Å |
| 130 | Q | 93.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -37 | 177.2 | -60 | -68.8 | -82.2 | 0 | 0 | 111.7 | V122 N124 I128 F146 Q147 V203 D204 | V122-Q130 HydrophobicContact CB-CB 4.46Å; V122-Q130 HydrophobicContact CG1-CB 4.28Å; V122-Q130 PolarHBondContact O-N 3.4Å; N124-Q130 HydrophobicContact CB-CG 3.89Å; I128-Q130 PolarHBondContact O-N 2.81Å; Q130-F146 WeakPolarHBondContact O-CA 3.27Å; Q130-Q147 PolarHBondContact O-N 3.47Å; Q130-V203 HydrophobicContact CB-CG1 3.85Å; Q130-V203 HydrophobicContact CG-CG1 4.44Å; Q130-D204 HydrophobicContact CG-CB 4.48Å |
| 131 | I | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.6 | 175 | -53.3 | 172.8 | 0 | 0 | 0 | 107.2 | L96 W120 Q121 V122 F144 M145 V203 | L96-I131 HydrophobicContact CD1-CD1 4.39Å; W120-I131 HydrophobicContact CE3-CG2 4.4Å; W120-I131 HydrophobicContact CH2-CD1 3.86Å; W120-I131 HydrophobicContact CH2-CG2 4.05Å; W120-I131 HydrophobicContact CZ3-CG2 3.78Å; Q121-I131 CarbonylContact C-O 3.55Å; Q121-I131 VanDerWaalsContact CA-O 3.28Å; Q121-I131 WeakPolarHBondContact CA-O 3.4Å; V122-I131 HydrophobicContact CB-CB 4.25Å; V122-I131 HydrophobicContact CG2-CB 4.35Å; V122-I131 HydrophobicContact CG2-CD1 4.31Å; V122-I131 PolarHBondContact N-O 3.37Å; V122-I131 PolarHBondContact O-N 3.3Å; I131-F144 HydrophobicContact CG2-CZ 4.45Å; I131-M145 CarbonylContact C-O 3.5Å; I131-M145 WeakPolarHBondContact CA-O 3.13Å; I131-V203 HydrophobicContact CD1-CG1 4.12Å; I131-V203 HydrophobicContact CD1-CG2 4.07Å; I131-V203 HydrophobicContact CG1-CG1 4.29Å; I131-V203 HydrophobicContact CG1-CG2 3.94Å |
| 132 | S | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 131.8 | 171.9 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | F118 Q121 F144 M145 | F118-S132 VanDerWaalsContact CD1-OG 3.22Å; F118-S132 WeakPolarHBondContact CD1-OG 3.43Å; F118-S132 WeakPolarHBondContact CE1-OG 3.44Å; Q121-S132 PolarHBondContact NE2-OG 2.83Å; Q121-S132 VanDerWaalsContact NE2-OG 3.15Å; S132-F144 WeakPolarHBondContact O-CA 3.29Å; S132-M145 PolarHBondContact N-O 3.09Å; S132-M145 PolarHBondContact O-N 3.05Å |
| 133 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 110.6 | 167.4 | -49.7 | 177.9 | 0 | 0 | 0 | 107.7 | V102 F118 L119 W120 V142 F144 I176 | V102-I133 HydrophobicContact CB-CD1 4.07Å; V102-I133 HydrophobicContact CG1-CD1 3.82Å; V102-I133 HydrophobicContact CG2-CD1 4.17Å; F118-I133 CarbonylContact C-O 3.58Å; F118-I133 WeakPolarHBondContact CA-O 3.36Å; L119-I133 HydrophobicContact CB-CB 4.33Å; L119-I133 HydrophobicContact CB-CG2 4.2Å; L119-I133 HydrophobicContact CD2-CG2 4.12Å; L119-I133 PolarHBondContact N-O 3.35Å; W120-I133 HydrophobicContact CE3-CD1 3.82Å; W120-I133 HydrophobicContact CE3-CG1 4.22Å; W120-I133 PolarHBondContact O-N 3.34Å; I133-V142 HydrophobicContact CG2-CG1 4.24Å; I133-F144 HydrophobicContact CG1-CD2 3.94Å; I133-F144 HydrophobicContact CG1-CE2 4.18Å; I133-I176 HydrophobicContact CD1-CD1 4.04Å; I133-I176 HydrophobicContact CG1-CD1 4.33Å; I133-I176 HydrophobicContact CG2-CD1 3.74Å |
| 134 | V | 98 | Very high | 95 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.1 | 179.5 | -159.4 | 0 | 0 | 0 | 0 | 109.9 | R116 W117 F118 V142 E143 V215 | R116-V134 HydrophobicContact CG-CG1 3.69Å; W117-V134 WeakPolarHBondContact O-CA 3.49Å; W117-V134 WeakPolarHBondContact O-CG1 3.44Å; F118-V134 HydrophobicContact CD1-CG1 4.45Å; F118-V134 HydrophobicContact CD1-CG2 3.97Å; F118-V134 HydrophobicContact CE1-CG2 4.01Å; V134-V142 CarbonylContact O-C 3.56Å; V134-V142 WeakPolarHBondContact O-CA 3.46Å; V134-E143 HydrophobicContact CB-CB 4.11Å; V134-E143 HydrophobicContact CG2-CB 4.33Å; V134-E143 PolarHBondContact N-O 2.87Å; V134-E143 PolarHBondContact O-N 3.5Å; V134-V215 HydrophobicContact CG1-CG2 4.32Å |
| 135 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.9 | 167.1 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | F106 W117 L119 L166 F167 | F106-V135 HydrophobicContact CZ-CG2 4.45Å; W117-V135 HydrophobicContact CD2-CB 3.97Å; W117-V135 HydrophobicContact CE3-CB 4.34Å; W117-V135 HydrophobicContact CH2-CB 4.1Å; W117-V135 HydrophobicContact CH2-CG1 4.37Å; W117-V135 HydrophobicContact CH2-CG2 3.93Å; W117-V135 HydrophobicContact CZ2-CB 3.69Å; W117-V135 HydrophobicContact CZ2-CG1 3.63Å; W117-V135 HydrophobicContact CZ2-CG2 4.01Å; W117-V135 HydrophobicContact CZ3-CB 4.4Å; W117-V135 HydrophobicContact CZ3-CG2 4.19Å; W117-V135 PolarHBondContact N-O 3.36Å; W117-V135 PolarHBondContact O-N 3.47Å; L119-V135 HydrophobicContact CB-CG2 4.26Å; V135-L166 HydrophobicContact CG1-CD2 4.44Å; V135-F167 HydrophobicContact CG1-CE1 3.64Å; V135-F167 HydrophobicContact CG1-CZ 3.52Å |
| 136 | D | 96.9 | Very high | 95 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 96.5 | -179.1 | -169.2 | -45.5 | 0 | 0 | 0 | 109.9 | R116 G138 K139 K140 V141 | R116-D136 WeakPolarHBondContact CD-OD2 3.26Å; R116-D136 HydrophobicContact CG-CB 4.18Å; R116-D136 IonicContact CZ-OD2 2.93Å; R116-D136 IonicContact NH1-OD2 3.46Å; R116-D136 PolarHBondContact NH1-OD2 2.85Å; D136-G138 VanDerWaalsContact C-N 3.26Å; D136-G138 PolarHBondContact O-N 2.95Å; D136-G138 WeakPolarHBondContact OD1-CA 3.33Å; D136-G138 PolarHBondContact OD1-N 3.44Å; D136-K139 HydrophobicContact CB-CB 4.43Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-K139 WeakPolarHBondContact OD1-CG 3.34Å; D136-K139 PolarHBondContact OD1-N 3.21Å; D136-K139 IonicContact OD2-NZ 2.64Å; D136-K139 PolarHBondContact OD2-NZ 3.15Å; D136-K140 WeakPolarHBondContact O-CA 3.46Å; D136-K140 PolarHBondContact O-N 3.09Å; D136-V141 HydrophobicContact CB-CG2 3.82Å; D136-V141 PolarHBondContact N-O 2.78Å; D136-V141 PolarHBondContact O-N 2.93Å |
| 137 | G | 94 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | K113 E115 K140 | K113-G137 CarbonylContact O-C 3.57Å; K113-G137 VanDerWaalsContact O-O 3.06Å; E115-G137 WeakPolarHBondContact O-CA 3.21Å; E115-G137 PolarHBondContact O-N 3.12Å; G137-K140 WeakPolarHBondContact O-CE 3.31Å; G137-K140 PolarHBondContact O-NZ 2.97Å |
| 138 | G | 93.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 21.3 Ų | 21.3 | 56% | 0.557 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -49.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K114 D136 | K114-G138 PolarHBondContact O-N 3.15Å; D136-G138 VanDerWaalsContact C-N 3.26Å; D136-G138 PolarHBondContact O-N 2.95Å; D136-G138 WeakPolarHBondContact OD1-CA 3.33Å; D136-G138 PolarHBondContact OD1-N 3.44Å |
| 139 | K | 95.2 | Very high | 93.6 | Very high | 117 Ų | 117 | 21.5 Ų | 21.5 | 51% | 0.509 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -17.3 | -177 | -58.8 | -170.3 | -158.5 | 99 | 0 | 114.7 | D136 V141 E143 | D136-K139 HydrophobicContact CB-CB 4.43Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-K139 WeakPolarHBondContact OD1-CG 3.34Å; D136-K139 PolarHBondContact OD1-N 3.21Å; D136-K139 IonicContact OD2-NZ 2.64Å; D136-K139 PolarHBondContact OD2-NZ 3.15Å; K139-V141 HydrophobicContact CB-CG1 4.07Å; K139-V141 HydrophobicContact CB-CG2 3.95Å; K139-V141 HydrophobicContact CD-CG2 4.46Å; K139-E143 IonicContact NZ-OE1 3.91Å; K139-E143 PolarHBondContact NZ-OE1 3.41Å |
| 140 | K | 94.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 50.8 | -170.5 | -52.9 | -61.7 | 173.8 | -154.2 | 0 | 112.6 | K113 D136 G137 R164 F167 | K113-K140 PolarHBondContact O-NZ 2.8Å; D136-K140 WeakPolarHBondContact O-CA 3.46Å; D136-K140 PolarHBondContact O-N 3.09Å; G137-K140 WeakPolarHBondContact O-CE 3.31Å; G137-K140 PolarHBondContact O-NZ 2.97Å; K140-R164 HydrophobicContact CB-CG 4.17Å; K140-R164 HydrophobicContact CG-CG 4.36Å; K140-F167 HydrophobicContact CB-CE2 4.36Å; K140-F167 HydrophobicContact CD-CB 4.12Å; K140-F167 HydrophobicContact CD-CD1 4.37Å; K140-F167 HydrophobicContact CD-CD2 3.34Å; K140-F167 HydrophobicContact CD-CE2 3.72Å; K140-F167 HydrophobicContact CD-CG 3.69Å; K140-F167 HydrophobicContact CD-CZ 4.37Å; K140-F167 VanDerWaalsContact NZ-CB 3.31Å |
| 141 | V | 96.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156.1 | 179 | -52.8 | 0 | 0 | 0 | 0 | 111 | D136 K139 E143 I157 F158 R159 | D136-V141 HydrophobicContact CB-CG2 3.82Å; D136-V141 PolarHBondContact N-O 2.78Å; D136-V141 PolarHBondContact O-N 2.93Å; K139-V141 HydrophobicContact CB-CG1 4.07Å; K139-V141 HydrophobicContact CB-CG2 3.95Å; K139-V141 HydrophobicContact CD-CG2 4.46Å; V141-E143 HydrophobicContact CG2-CG 3.86Å; V141-I157 HydrophobicContact CB-CG2 4.03Å; V141-I157 HydrophobicContact CG1-CG2 4.26Å; V141-I157 HydrophobicContact CG2-CG2 3.99Å; V141-F158 WeakPolarHBondContact CA-O 3.22Å; V141-F158 VanDerWaalsContact CB-O 3.26Å; V141-F158 WeakPolarHBondContact CB-O 3.35Å; V141-R159 HydrophobicContact CG1-CB 4.35Å; V141-R159 HydrophobicContact CG1-CG 3.72Å |
| 142 | V | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.2 | 161.7 | 179.8 | 0 | 0 | 0 | 0 | 107 | I133 V134 F158 L163 L166 L174 I176 L185 | I133-V142 HydrophobicContact CG2-CG1 4.24Å; V134-V142 CarbonylContact O-C 3.56Å; V134-V142 WeakPolarHBondContact O-CA 3.46Å; V142-F158 HydrophobicContact CB-CB 4.42Å; V142-F158 PolarHBondContact N-O 3.27Å; V142-F158 WeakPolarHBondContact O-CB 3.12Å; V142-F158 PolarHBondContact O-N 2.8Å; V142-L163 HydrophobicContact CG2-CD1 4.36Å; V142-L163 HydrophobicContact CG2-CD2 4.31Å; V142-L166 HydrophobicContact CG2-CD2 4.22Å; V142-L174 HydrophobicContact CG2-CD2 4.28Å; V142-I176 HydrophobicContact CG1-CD1 4.38Å; V142-L185 HydrophobicContact CB-CD2 4.18Å; V142-L185 HydrophobicContact CG1-CD1 4.49Å; V142-L185 HydrophobicContact CG2-CD2 4.42Å |
| 143 | E | 97.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.7 | 176.4 | -48 | -172.5 | -172.5 | 0 | 0 | 108.6 | R116 V134 K139 V141 N155 I157 | R116-E143 IonicContact CZ-OE1 3.3Å; R116-E143 IonicContact CZ-OE2 2.67Å; R116-E143 IonicContact NH1-OE1 3.91Å; R116-E143 PolarHBondContact NH1-OE1 2.85Å; R116-E143 IonicContact NH1-OE2 2.91Å; R116-E143 PolarHBondContact NH1-OE2 2.81Å; R116-E143 IonicContact NH2-OE1 2.79Å; R116-E143 IonicContact NH2-OE2 3.35Å; R116-E143 PolarHBondContact NH2-OE2 2.84Å; V134-E143 HydrophobicContact CB-CB 4.11Å; V134-E143 HydrophobicContact CG2-CB 4.33Å; V134-E143 PolarHBondContact N-O 2.87Å; V134-E143 PolarHBondContact O-N 3.5Å; K139-E143 IonicContact NZ-OE1 3.91Å; K139-E143 PolarHBondContact NZ-OE1 3.41Å; V141-E143 HydrophobicContact CG2-CG 3.86Å; E143-N155 PolarHBondContact OE2-ND2 2.87Å; E143-I157 HydrophobicContact CB-CG1 4.34Å; E143-I157 HydrophobicContact CG-CB 4.42Å; E143-I157 HydrophobicContact CG-CD1 4.44Å; E143-I157 HydrophobicContact CG-CG1 3.92Å; E143-I157 HydrophobicContact CG-CG2 4.14Å |
| 144 | F | 96.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.7 | 175.1 | -176.6 | -89.7 | 0 | 0 | 0 | 109.1 | I131 S132 I133 F146 N155 Y156 F158 I176 I178 L183 | I131-F144 HydrophobicContact CG2-CZ 4.45Å; S132-F144 WeakPolarHBondContact O-CA 3.29Å; I133-F144 HydrophobicContact CG1-CD2 3.94Å; I133-F144 HydrophobicContact CG1-CE2 4.18Å; F144-F146 HydrophobicContact CD1-CD1 4.03Å; F144-F146 AromaticContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CE1 4.34Å; F144-N155 PolarHBondContact O-OD1 3.3Å; F144-Y156 PolarHBondContact N-O 3.03Å; F144-Y156 PolarHBondContact O-N 3.48Å; F144-F158 HydrophobicContact CB-CE2 4.29Å; F144-I176 HydrophobicContact CD2-CD1 4.22Å; F144-I176 HydrophobicContact CD2-CG2 4.32Å; F144-I178 HydrophobicContact CE1-CG1 4.45Å; F144-I178 HydrophobicContact CE2-CD1 4.27Å; F144-I178 HydrophobicContact CE2-CG1 3.89Å; F144-I178 HydrophobicContact CZ-CD1 4.44Å; F144-I178 HydrophobicContact CZ-CG1 3.6Å; F144-I178 HydrophobicContact CZ-CG2 4.45Å; F144-L183 HydrophobicContact CB-CD2 3.64Å; F144-L183 HydrophobicContact CD1-CD1 3.84Å; F144-L183 HydrophobicContact CD1-CD2 3.44Å; F144-L183 VanDerWaalsContact CD1-CD2 3.44Å; F144-L183 HydrophobicContact CD1-CG 4.32Å; F144-L183 HydrophobicContact CD2-CD1 4.23Å; F144-L183 HydrophobicContact CD2-CD2 4.49Å; F144-L183 HydrophobicContact CE1-CD1 3.81Å; F144-L183 HydrophobicContact CE1-CD2 4.2Å; F144-L183 HydrophobicContact CE2-CD1 4.24Å; F144-L183 HydrophobicContact CG-CD1 4.05Å; F144-L183 HydrophobicContact CG-CD2 3.61Å; F144-L183 HydrophobicContact CG-CG 4.48Å; F144-L183 HydrophobicContact CZ-CD1 4.04Å |
| 145 | M | 94.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.6 | -177.1 | 163 | -94.8 | -81.4 | 0 | 0 | 111.4 | P129 I131 S132 V153 L154 N155 | P129-M145 HydrophobicContact CB-CE 3.75Å; P129-M145 HydrophobicContact CB-SD 4.08Å; P129-M145 HydrophobicContact CG-CE 3.69Å; P129-M145 HydrophobicContact CG-SD 4.26Å; I131-M145 CarbonylContact C-O 3.5Å; I131-M145 WeakPolarHBondContact CA-O 3.13Å; S132-M145 PolarHBondContact N-O 3.09Å; S132-M145 PolarHBondContact O-N 3.05Å; M145-V153 HydrophobicContact CG-CG1 3.44Å; M145-V153 VanDerWaalsContact CG-CG1 3.44Å; M145-V153 HydrophobicContact SD-CG1 3.93Å; M145-L154 WeakPolarHBondContact CA-O 3.49Å; M145-L154 WeakPolarHBondContact CB-O 3.46Å; M145-L154 WeakPolarHBondContact CG-O 3.41Å; M145-N155 HydrophobicContact CB-CB 4.29Å |
| 146 | F | 92.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 164.6 | 172.8 | 65.3 | -92.5 | 0 | 0 | 0 | 111.1 | Q130 F144 L154 Y156 T197 K200 | Q130-F146 WeakPolarHBondContact O-CA 3.27Å; F144-F146 HydrophobicContact CD1-CD1 4.03Å; F144-F146 AromaticContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CE1 4.34Å; F146-L154 HydrophobicContact CE2-CD1 3.92Å; F146-L154 HydrophobicContact CZ-CB 4.49Å; F146-L154 HydrophobicContact CZ-CD1 3.98Å; F146-L154 PolarHBondContact N-O 3.49Å; F146-L154 VanDerWaalsContact N-O 3.15Å; F146-L154 PolarHBondContact O-N 2.92Å; F146-Y156 HydrophobicContact CD1-CD2 4.37Å; F146-Y156 HydrophobicContact CD1-CE2 4.03Å; F146-Y156 AromaticContact CE1-CD2 3.91Å; F146-Y156 HydrophobicContact CE1-CD2 3.91Å; F146-Y156 AromaticContact CE1-CE2 3.26Å; F146-Y156 HydrophobicContact CE1-CE2 3.26Å; F146-Y156 AromaticContact CZ-CE2 3.8Å; F146-Y156 HydrophobicContact CZ-CE2 3.8Å; F146-T197 HydrophobicContact CE1-CG2 4.24Å; F146-K200 HydrophobicContact CD2-CB 3.89Å; F146-K200 HydrophobicContact CD2-CG 3.75Å; F146-K200 HydrophobicContact CE2-CB 3.8Å; F146-K200 HydrophobicContact CE2-CG 4.2Å; F146-K200 HydrophobicContact CG-CG 4.29Å; F146-K200 HydrophobicContact CZ-CB 4.5Å |
| 147 | Q | 87.8 | Confident | 89.9 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.4 | 172 | -168.7 | 161.3 | 18 | 0 | 0 | 110.7 | Q130 G151 D201 | Q130-Q147 PolarHBondContact O-N 3.47Å; Q147-G151 PolarHBondContact NE2-O 2.98Å; Q147-D201 VanDerWaalsContact O-CB 3.3Å; Q147-D201 WeakPolarHBondContact O-CB 3.26Å; Q147-D201 PolarHBondContact O-N 2.87Å |
| 148 | A | 81.4 | Confident | 90 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 161.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E150 G151 D152 L154 | A148-E150 PolarHBondContact O-N 2.92Å; A148-E150 VanDerWaalsContact O-N 3.12Å; A148-G151 WeakPolarHBondContact O-CA 3.3Å; A148-G151 PolarHBondContact O-N 3.19Å; A148-D152 PolarHBondContact N-O 3.19Å; A148-L154 HydrophobicContact CB-CD1 3.67Å; A148-L154 HydrophobicContact CB-CG 3.94Å |
| 149 | T | 75.4 | Confident | 90.1 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.8 | -175.4 | 48.9 | 0 | 0 | 0 | 0 | 115 | G151 D201 | T149-G151 PolarHBondContact O-N 2.84Å; T149-D201 HydrophobicContact CG2-CB 4.3Å |
| 150 | E | 72.8 | Confident | 90 | Very high | 178 Ų | 178 | 49.4 Ų | 49.4 | 83% | 0.832 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.2 | 172.3 | -58.1 | -166.5 | 177.2 | 0 | 0 | 113.2 | A148 D152 | A148-E150 PolarHBondContact O-N 2.92Å; A148-E150 VanDerWaalsContact O-N 3.12Å; E150-D152 VanDerWaalsContact C-N 3.32Å |
| 151 | G | 72.6 | Confident | 90 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 86 | -6.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q147 A148 T149 | Q147-G151 PolarHBondContact NE2-O 2.98Å; A148-G151 WeakPolarHBondContact O-CA 3.3Å; A148-G151 PolarHBondContact O-N 3.19Å; T149-G151 PolarHBondContact O-N 2.84Å |
| 152 | D | 82.6 | Confident | 89.8 | Confident | 111 Ų | 111 | 61 Ų | 61 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | trans | -74 | 152.6 | 179.9 | -98.3 | -18.9 | 0 | 0 | 0 | 113 | A148 E150 | A148-D152 PolarHBondContact N-O 3.19Å; E150-D152 VanDerWaalsContact C-N 3.32Å | ||
| 153 | V | 87.7 | Confident | 89.7 | Confident | 79 Ų | 79 | 61 Ų | 61 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 105.9 | -177.1 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | M145 | M145-V153 HydrophobicContact CG-CG1 3.44Å; M145-V153 VanDerWaalsContact CG-CG1 3.44Å; M145-V153 HydrophobicContact SD-CG1 3.93Å |
| 154 | L | 90.3 | Very high | 89.5 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 137.3 | 179.4 | -58 | -179.9 | 0 | 0 | 0 | 110.5 | M145 F146 A148 Y156 D198 | M145-L154 WeakPolarHBondContact CA-O 3.49Å; M145-L154 WeakPolarHBondContact CB-O 3.46Å; M145-L154 WeakPolarHBondContact CG-O 3.41Å; F146-L154 HydrophobicContact CE2-CD1 3.92Å; F146-L154 HydrophobicContact CZ-CB 4.49Å; F146-L154 HydrophobicContact CZ-CD1 3.98Å; F146-L154 PolarHBondContact N-O 3.49Å; F146-L154 VanDerWaalsContact N-O 3.15Å; F146-L154 PolarHBondContact O-N 2.92Å; A148-L154 HydrophobicContact CB-CD1 3.67Å; A148-L154 HydrophobicContact CB-CG 3.94Å; L154-Y156 HydrophobicContact CB-CE2 3.67Å; L154-Y156 WeakPolarHBondContact CD1-OH 3.39Å; L154-D198 HydrophobicContact CD1-CB 3.74Å |
| 155 | N | 93.4 | Very high | 89.4 | Confident | 76 Ų | 76 | 70 Ų | 70 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 114 | -178.8 | -177.1 | 6.3 | 0 | 0 | 0 | 111.8 | E143 F144 M145 | E143-N155 PolarHBondContact OE2-ND2 2.87Å; F144-N155 PolarHBondContact O-OD1 3.3Å; M145-N155 HydrophobicContact CB-CB 4.29Å |
| 156 | Y | 95.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 105.1 | -176.9 | -60.9 | -90.4 | 0 | 0 | 0 | 110 | F144 F146 L154 L183 R195 Q196 T197 D198 | F144-Y156 PolarHBondContact N-O 3.03Å; F144-Y156 PolarHBondContact O-N 3.48Å; F146-Y156 HydrophobicContact CD1-CD2 4.37Å; F146-Y156 HydrophobicContact CD1-CE2 4.03Å; F146-Y156 AromaticContact CE1-CD2 3.91Å; F146-Y156 HydrophobicContact CE1-CD2 3.91Å; F146-Y156 AromaticContact CE1-CE2 3.26Å; F146-Y156 HydrophobicContact CE1-CE2 3.26Å; F146-Y156 AromaticContact CZ-CE2 3.8Å; F146-Y156 HydrophobicContact CZ-CE2 3.8Å; L154-Y156 HydrophobicContact CB-CE2 3.67Å; L154-Y156 WeakPolarHBondContact CD1-OH 3.39Å; Y156-L183 HydrophobicContact CG-CD2 4.33Å; Y156-R195 HydrophobicContact CD1-CB 4.36Å; Y156-Q196 WeakPolarHBondContact CE1-O 3.46Å; Y156-T197 HydrophobicContact CD1-CG2 4.13Å; Y156-T197 HydrophobicContact CD2-CG2 4.32Å; Y156-T197 HydrophobicContact CE1-CG2 3.79Å; Y156-T197 HydrophobicContact CE2-CG2 4Å; Y156-T197 HydrophobicContact CG-CG2 4.39Å; Y156-T197 WeakPolarHBondContact OH-CA 3.44Å; Y156-D198 PolarHBondContact OH-N 3.2Å; Y156-D198 PolarHBondContact OH-OD2 2.97Å |
| 157 | I | 96.3 | Very high | 89.5 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 26% | 0.256 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.3 | -176.8 | -55.7 | -178 | 0 | 0 | 0 | 110.7 | V141 E143 R159 | V141-I157 HydrophobicContact CB-CG2 4.03Å; V141-I157 HydrophobicContact CG1-CG2 4.26Å; V141-I157 HydrophobicContact CG2-CG2 3.99Å; E143-I157 HydrophobicContact CB-CG1 4.34Å; E143-I157 HydrophobicContact CG-CB 4.42Å; E143-I157 HydrophobicContact CG-CD1 4.44Å; E143-I157 HydrophobicContact CG-CG1 3.92Å; E143-I157 HydrophobicContact CG-CG2 4.14Å; I157-R159 HydrophobicContact CG2-CG 3.86Å |
| 158 | F | 96.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 111.7 | 176.3 | -67 | -83 | 0 | 0 | 0 | 111.4 | V141 V142 F144 L163 L183 L185 A193 R195 | V141-F158 WeakPolarHBondContact CA-O 3.22Å; V141-F158 VanDerWaalsContact CB-O 3.26Å; V141-F158 WeakPolarHBondContact CB-O 3.35Å; V142-F158 HydrophobicContact CB-CB 4.42Å; V142-F158 PolarHBondContact N-O 3.27Å; V142-F158 WeakPolarHBondContact O-CB 3.12Å; V142-F158 PolarHBondContact O-N 2.8Å; F144-F158 HydrophobicContact CB-CE2 4.29Å; F158-L163 HydrophobicContact CB-CD1 4.07Å; F158-L163 WeakPolarHBondContact O-CD1 3.45Å; F158-L183 HydrophobicContact CE2-CD2 3.57Å; F158-L183 HydrophobicContact CE2-CG 4.2Å; F158-L183 HydrophobicContact CZ-CB 4.43Å; F158-L183 HydrophobicContact CZ-CD2 3.58Å; F158-L183 HydrophobicContact CZ-CG 3.82Å; F158-L185 HydrophobicContact CB-CD2 3.47Å; F158-L185 VanDerWaalsContact CB-CD2 3.47Å; F158-L185 HydrophobicContact CD1-CB 3.86Å; F158-L185 HydrophobicContact CD1-CD2 3.82Å; F158-L185 HydrophobicContact CD2-CB 4.5Å; F158-L185 HydrophobicContact CD2-CD2 3.96Å; F158-L185 HydrophobicContact CE1-CB 3.73Å; F158-L185 HydrophobicContact CE1-CD2 4.49Å; F158-L185 HydrophobicContact CE2-CB 4.4Å; F158-L185 HydrophobicContact CG-CB 4.22Å; F158-L185 HydrophobicContact CG-CD2 3.48Å; F158-L185 VanDerWaalsContact CG-CD2 3.48Å; F158-L185 HydrophobicContact CG-CG 4.46Å; F158-L185 HydrophobicContact CZ-CB 4.02Å; F158-A193 HydrophobicContact CD1-CB 3.64Å; F158-A193 HydrophobicContact CE1-CB 3.97Å; F158-R195 HydrophobicContact CD1-CG 4.25Å; F158-R195 HydrophobicContact CE1-CB 4.43Å; F158-R195 HydrophobicContact CE1-CG 3.58Å; F158-R195 HydrophobicContact CZ-CB 4.47Å; F158-R195 HydrophobicContact CZ-CG 3.92Å |
| 159 | R | 94.4 | Very high | 90.3 | Very high | 173 Ų | 173 | 76 Ų | 76 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | trans | -118 | 107.5 | 176.1 | -46.1 | -163.6 | 179.8 | 165 | 2.5 | 109 | V141 I157 | V141-R159 HydrophobicContact CG1-CB 4.35Å; V141-R159 HydrophobicContact CG1-CG 3.72Å; I157-R159 HydrophobicContact CG2-CG 3.86Å | ||
| 160 | N | 94.7 | Very high | 91 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | trans | -138.6 | 149.7 | 172.5 | -178.3 | -22.9 | 0 | 0 | 0 | 108 | E162 L163 I192 | N160-E162 VanDerWaalsContact C-N 3.25Å; N160-E162 PolarHBondContact ND2-OE2 3.33Å; N160-E162 PolarHBondContact O-N 2.98Å; N160-E162 PolarHBondContact OD1-N 2.75Å; N160-E162 PolarHBondContact OD1-OE2 2.97Å; N160-L163 HydrophobicContact CB-CG 4.47Å; N160-L163 PolarHBondContact O-N 2.83Å; N160-I192 HydrophobicContact CB-CG2 3.61Å; N160-I192 WeakPolarHBondContact ND2-CG2 3.26Å; N160-I192 PolarHBondContact ND2-O 3.11Å | ||
| 161 | R | 93.6 | Very high | 91.9 | Very high | 199 Ų | 199 | 71.1 Ų | 71.1 | 75% | 0.751 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -56 | -37.3 | 170.7 | 173.1 | 173.6 | -176.8 | 169.7 | -0.1 | 112.6 | R164 | R161-R164 VanDerWaalsContact O-CB 3.3Å; R161-R164 WeakPolarHBondContact O-CB 3.42Å; R161-R164 VanDerWaalsContact O-CG 3.31Å; R161-R164 WeakPolarHBondContact O-CG 3.44Å; R161-R164 PolarHBondContact O-N 3.13Å |
| 162 | E | 93 | Very high | 92.9 | Very high | 98 Ų | 98 | 70.2 Ų | 70.2 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -64.6 | -36.6 | -177.1 | -74.2 | 140.7 | -160.6 | 0 | 0 | 112.7 | N160 R164 A165 I192 | N160-E162 VanDerWaalsContact C-N 3.25Å; N160-E162 PolarHBondContact ND2-OE2 3.33Å; N160-E162 PolarHBondContact O-N 2.98Å; N160-E162 PolarHBondContact OD1-N 2.75Å; N160-E162 PolarHBondContact OD1-OE2 2.97Å; E162-R164 PolarHBondContact O-N 3.49Å; E162-A165 VanDerWaalsContact O-CB 3.29Å; E162-A165 WeakPolarHBondContact O-CB 3.41Å; E162-A165 PolarHBondContact O-N 2.86Å; E162-I192 HydrophobicContact CB-CD1 3.86Å |
| 163 | L | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.4 | -4.4 | 175 | -66.6 | 176.8 | 0 | 0 | 0 | 114.3 | V142 F158 N160 A165 F167 L174 L185 M187 I192 | V142-L163 HydrophobicContact CG2-CD1 4.36Å; V142-L163 HydrophobicContact CG2-CD2 4.31Å; F158-L163 HydrophobicContact CB-CD1 4.07Å; F158-L163 WeakPolarHBondContact O-CD1 3.45Å; N160-L163 HydrophobicContact CB-CG 4.47Å; N160-L163 PolarHBondContact O-N 2.83Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-F167 WeakPolarHBondContact O-CD2 3.43Å; L163-F167 VanDerWaalsContact O-CE2 3.26Å; L163-F167 WeakPolarHBondContact O-CE2 3.43Å; L163-L174 HydrophobicContact CD2-CD1 4.48Å; L163-L185 HydrophobicContact CD1-CD2 3.95Å; L163-L185 HydrophobicContact CD2-CD2 4.04Å; L163-M187 HydrophobicContact CD2-SD 4.1Å; L163-I192 HydrophobicContact CD1-CG2 4.15Å; L163-I192 HydrophobicContact CD2-CG1 4.43Å; L163-I192 HydrophobicContact CD2-CG2 3.88Å; L163-I192 HydrophobicContact CG-CG2 3.71Å |
| 164 | R | 94.2 | Very high | 93.8 | Very high | 156 Ų | 156 | 61.3 Ų | 61.3 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -72.7 | -26 | 168.6 | -63.7 | 176.5 | 176.1 | 132.1 | -0.1 | 112.4 | K140 R161 E162 F167 | K140-R164 HydrophobicContact CB-CG 4.17Å; K140-R164 HydrophobicContact CG-CG 4.36Å; R161-R164 VanDerWaalsContact O-CB 3.3Å; R161-R164 WeakPolarHBondContact O-CB 3.42Å; R161-R164 VanDerWaalsContact O-CG 3.31Å; R161-R164 WeakPolarHBondContact O-CG 3.44Å; R161-R164 PolarHBondContact O-N 3.13Å; E162-R164 PolarHBondContact O-N 3.49Å; R164-F167 PolarHBondContact O-N 3.31Å |
| 165 | A | 93.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.6 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E162 L163 F167 D168 H172 M187 | E162-A165 VanDerWaalsContact O-CB 3.29Å; E162-A165 WeakPolarHBondContact O-CB 3.41Å; E162-A165 PolarHBondContact O-N 2.86Å; L163-A165 VanDerWaalsContact C-N 3.32Å; A165-F167 PolarHBondContact O-N 2.9Å; A165-D168 WeakPolarHBondContact O-CB 3.4Å; A165-D168 PolarHBondContact O-N 3.16Å; A165-H172 PolarHBondContact O-NE2 2.8Å; A165-H172 VanDerWaalsContact O-NE2 3.08Å; A165-M187 HydrophobicContact CB-CE 3.98Å |
| 166 | L | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -45.4 | -16.7 | 174.5 | -167.2 | 62.2 | 0 | 0 | 0 | 115.9 | F106 V108 V135 V142 H172 L174 M187 | F106-L166 HydrophobicContact CE2-CD1 3.72Å; F106-L166 HydrophobicContact CE2-CG 4.16Å; F106-L166 HydrophobicContact CZ-CD1 3.68Å; F106-L166 HydrophobicContact CZ-CD2 4.3Å; F106-L166 HydrophobicContact CZ-CG 4.24Å; V108-L166 VanDerWaalsContact CG2-O 3.25Å; V108-L166 WeakPolarHBondContact CG2-O 3.46Å; V135-L166 HydrophobicContact CG1-CD2 4.44Å; V142-L166 HydrophobicContact CG2-CD2 4.22Å; L166-H172 HydrophobicContact CD1-CB 3.71Å; L166-L174 HydrophobicContact CD2-CD1 4.21Å; L166-L174 HydrophobicContact CD2-CD2 4.45Å; L166-M187 HydrophobicContact CB-SD 4Å; L166-M187 HydrophobicContact CD1-SD 4.45Å |
| 167 | F | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -117.3 | 11.1 | -179.4 | -55.9 | -85.3 | 0 | 0 | 0 | 113.9 | V108 K113 V135 K140 L163 R164 A165 R169 | V108-F167 HydrophobicContact CG1-CD1 4.33Å; K113-F167 WeakPolarHBondContact CD-O 3.19Å; K113-F167 WeakPolarHBondContact CE-O 3.39Å; K113-F167 HydrophobicContact CG-CB 4.35Å; K113-F167 PolarHBondContact NZ-O 3.13Å; V135-F167 HydrophobicContact CG1-CE1 3.64Å; V135-F167 HydrophobicContact CG1-CZ 3.52Å; K140-F167 HydrophobicContact CB-CE2 4.36Å; K140-F167 HydrophobicContact CD-CB 4.12Å; K140-F167 HydrophobicContact CD-CD1 4.37Å; K140-F167 HydrophobicContact CD-CD2 3.34Å; K140-F167 HydrophobicContact CD-CE2 3.72Å; K140-F167 HydrophobicContact CD-CG 3.69Å; K140-F167 HydrophobicContact CD-CZ 4.37Å; K140-F167 VanDerWaalsContact NZ-CB 3.31Å; L163-F167 WeakPolarHBondContact O-CD2 3.43Å; L163-F167 VanDerWaalsContact O-CE2 3.26Å; L163-F167 WeakPolarHBondContact O-CE2 3.43Å; R164-F167 PolarHBondContact O-N 3.31Å; A165-F167 PolarHBondContact O-N 2.9Å; F167-R169 VanDerWaalsContact C-N 3.31Å |
| 168 | D | 93.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 52.7 Ų | 52.7 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -75.2 | -22.3 | -179.8 | 75.1 | -1.4 | 0 | 0 | 0 | 113.1 | A165 Q170 H172 | A165-D168 WeakPolarHBondContact O-CB 3.4Å; A165-D168 PolarHBondContact O-N 3.16Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.28Å; D168-Q170 WeakPolarHBondContact OD1-CG 3.5Å; D168-Q170 PolarHBondContact OD1-N 3.17Å; D168-H172 IonicContact OD1-NE2 3.38Å; D168-H172 PolarHBondContact OD1-NE2 3.28Å |
| 169 | R | 91.8 | Very high | 93.9 | Very high | 129 Ų | 129 | 54.7 Ų | 54.7 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 97.2 | 19 | -176.4 | -54.3 | 164.6 | 56.6 | -136.6 | -7.2 | 115.5 | R107 V108 F167 | R107-R169 WeakPolarHBondContact CD-O 3.25Å; R107-R169 WeakPolarHBondContact CG-O 3.42Å; V108-R169 WeakPolarHBondContact O-CA 3.41Å; V108-R169 WeakPolarHBondContact O-CG 3.49Å; F167-R169 VanDerWaalsContact C-N 3.31Å |
| 170 | Q | 91.8 | Very high | 93.6 | Very high | 112 Ų | 112 | 48.4 Ų | 48.4 | 52% | 0.523 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -89 | 177.4 | 165.8 | -57.3 | -52.8 | -27.3 | 0 | 0 | 111.9 | R107 D168 H172 | R107-Q170 WeakPolarHBondContact CA-O 3.34Å; R107-Q170 WeakPolarHBondContact CG-O 3.45Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.28Å; D168-Q170 WeakPolarHBondContact OD1-CG 3.5Å; D168-Q170 PolarHBondContact OD1-N 3.17Å; Q170-H172 PolarHBondContact O-CD2 3.2Å |
| 171 | W | 91.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 53 Ų | 53 | 19% | 0.186 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.8 | 169 | -72.8 | 104.8 | 0 | 0 | 0 | 110.1 | C70 C76 M105 R107 E224 H226 | C70-W171 HydrophobicContact CB-CZ2 4.27Å; C76-W171 HydrophobicContact CB-CH2 4.17Å; M105-W171 HydrophobicContact CE-CB 4.31Å; M105-W171 HydrophobicContact CE-CD2 4.1Å; M105-W171 HydrophobicContact CE-CE3 3.91Å; M105-W171 HydrophobicContact CE-CG 4.3Å; M105-W171 HydrophobicContact CG-CE3 4.2Å; R107-W171 HydrophobicContact CB-CD2 3.73Å; R107-W171 HydrophobicContact CB-CE3 3.82Å; R107-W171 HydrophobicContact CB-CG 4.22Å; R107-W171 HydrophobicContact CB-CH2 4.32Å; R107-W171 HydrophobicContact CB-CZ2 4.24Å; R107-W171 HydrophobicContact CB-CZ3 4.11Å; W171-E224 HydrophobicContact CH2-CB 3.75Å; W171-E224 HydrophobicContact CZ2-CB 4.21Å; W171-E224 HydrophobicContact CZ3-CB 4.45Å; W171-E224 WeakPolarHBondContact CZ3-O 3.16Å; W171-H226 HydrophobicContact CE3-CB 4.16Å; W171-H226 HydrophobicContact CH2-CB 3.95Å; W171-H226 HydrophobicContact CZ3-CB 3.49Å; W171-H226 VanDerWaalsContact CZ3-CB 3.49Å |
| 172 | H | 93.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.9 | 174.1 | -61.7 | -81 | 0 | 0 | 0 | 110.5 | M105 F106 A165 L166 D168 Q170 D188 | M105-H172 VanDerWaalsContact CA-O 3.29Å; M105-H172 WeakPolarHBondContact CA-O 3.23Å; F106-H172 PolarHBondContact N-O 3.31Å; F106-H172 PolarHBondContact O-N 3.37Å; F106-H172 VanDerWaalsContact O-N 3.07Å; A165-H172 PolarHBondContact O-NE2 2.8Å; A165-H172 VanDerWaalsContact O-NE2 3.08Å; L166-H172 HydrophobicContact CD1-CB 3.71Å; D168-H172 IonicContact OD1-NE2 3.38Å; D168-H172 PolarHBondContact OD1-NE2 3.28Å; Q170-H172 PolarHBondContact O-CD2 3.2Å; H172-D188 VanDerWaalsContact CA-OD1 3.29Å; H172-D188 WeakPolarHBondContact CA-OD1 3.35Å; H172-D188 IonicContact CE1-OD2 2.72Å; H172-D188 IonicContact CG-OD2 3.18Å; H172-D188 IonicContact ND1-OD1 2.77Å; H172-D188 IonicContact ND1-OD2 3.76Å; H172-D188 PolarHBondContact ND1-OD2 3.43Å |
| 173 | K | 93.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 94.4 | 176.3 | -162 | 165.4 | -173.8 | -179.6 | 0 | 108.8 | T103 M105 M187 D188 E240 C243 E244 | T103-K173 HydrophobicContact CG2-CG 3.98Å; M105-K173 HydrophobicContact CB-CG 4.28Å; M105-K173 HydrophobicContact CG-CB 4.49Å; K173-M187 WeakPolarHBondContact O-CA 3.34Å; K173-D188 PolarHBondContact N-OD1 2.82Å; K173-D188 PolarHBondContact O-N 3.22Å; K173-D188 VanDerWaalsContact O-N 3.09Å; K173-E240 WeakPolarHBondContact CD-O 3.28Å; K173-E240 WeakPolarHBondContact CE-O 3.38Å; K173-E240 WeakPolarHBondContact CE-OE1 3.3Å; K173-E240 PolarHBondContact NZ-O 3.02Å; K173-E240 IonicContact NZ-OE1 3.34Å; K173-E240 PolarHBondContact NZ-OE1 2.85Å; K173-C243 PolarHBondContact NZ-O 2.72Å; K173-E244 IonicContact NZ-OE2 2.9Å |
| 174 | L | 95.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.5 | 178 | -167.3 | 75.3 | 0 | 0 | 0 | 109.5 | T103 A104 F106 L119 V142 L163 L166 L185 M187 | T103-L174 WeakPolarHBondContact CA-O 3.37Å; A104-L174 PolarHBondContact N-O 3.07Å; A104-L174 PolarHBondContact O-N 3.26Å; F106-L174 HydrophobicContact CE1-CB 4.1Å; F106-L174 HydrophobicContact CE1-CD2 4.21Å; F106-L174 HydrophobicContact CZ-CD2 4.23Å; L119-L174 HydrophobicContact CD2-CD2 4.18Å; V142-L174 HydrophobicContact CG2-CD2 4.28Å; L163-L174 HydrophobicContact CD2-CD1 4.48Å; L166-L174 HydrophobicContact CD2-CD1 4.21Å; L166-L174 HydrophobicContact CD2-CD2 4.45Å; L174-L185 HydrophobicContact CD1-CD1 3.98Å; L174-L185 HydrophobicContact CG-CD1 4.31Å; L174-M187 HydrophobicContact CD1-CB 4.12Å; L174-M187 HydrophobicContact CD1-CG 4.19Å |
| 175 | G | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V102 Y186 | V102-G175 CarbonylContact O-C 3.54Å; V102-G175 WeakPolarHBondContact O-CA 3.43Å; G175-Y186 PolarHBondContact N-O 2.87Å; G175-Y186 PolarHBondContact O-N 2.81Å |
| 176 | I | 96.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.2 | 171.9 | -47.1 | -166.6 | 0 | 0 | 0 | 108 | S101 V102 I133 V142 F144 I178 L183 S184 L185 | S101-I176 CarbonylContact C-O 3.58Å; S101-I176 WeakPolarHBondContact CA-O 3.48Å; S101-I176 WeakPolarHBondContact CB-O 3.45Å; V102-I176 PolarHBondContact N-O 3.23Å; V102-I176 PolarHBondContact O-N 2.72Å; I133-I176 HydrophobicContact CD1-CD1 4.04Å; I133-I176 HydrophobicContact CG1-CD1 4.33Å; I133-I176 HydrophobicContact CG2-CD1 3.74Å; V142-I176 HydrophobicContact CG1-CD1 4.38Å; F144-I176 HydrophobicContact CD2-CD1 4.22Å; F144-I176 HydrophobicContact CD2-CG2 4.32Å; I176-I178 HydrophobicContact CB-CD1 4.22Å; I176-I178 HydrophobicContact CG2-CD1 3.9Å; I176-I178 HydrophobicContact CG2-CG1 4.4Å; I176-I178 WeakPolarHBondContact O-CD1 3.36Å; I176-L183 HydrophobicContact CG2-CD1 3.58Å; I176-L183 HydrophobicContact CG2-CG 4.21Å; I176-S184 WeakPolarHBondContact CA-O 3.4Å; I176-L185 HydrophobicContact CD1-CD1 4.12Å; I176-L185 HydrophobicContact CG1-CD1 3.76Å |
| 177 | S | 95.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.4 | 168 | 162 | 0 | 0 | 0 | 0 | 109.3 | L183 S184 A234 | S177-L183 WeakPolarHBondContact O-CA 3.47Å; S177-S184 PolarHBondContact N-O 2.91Å; S177-S184 PolarHBondContact O-N 2.85Å; S177-A234 WeakPolarHBondContact CB-O 3.49Å; S177-A234 PolarHBondContact OG-O 3.38Å |
| 178 | I | 94.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 105 | -180 | -54.3 | 75.2 | 0 | 0 | 0 | 106.2 | E99 Y100 V102 F144 I176 L183 A234 | E99-I178 CarbonylContact C-O 3.45Å; E99-I178 VanDerWaalsContact CA-O 3.26Å; E99-I178 WeakPolarHBondContact CA-O 3.44Å; Y100-I178 HydrophobicContact CD1-CB 4.11Å; Y100-I178 HydrophobicContact CD1-CG2 4.31Å; Y100-I178 HydrophobicContact CD2-CB 4.49Å; Y100-I178 HydrophobicContact CD2-CD1 3.81Å; Y100-I178 HydrophobicContact CD2-CG1 4.27Å; Y100-I178 HydrophobicContact CE1-CB 3.86Å; Y100-I178 HydrophobicContact CE1-CG1 4.18Å; Y100-I178 HydrophobicContact CE1-CG2 3.7Å; Y100-I178 HydrophobicContact CE2-CB 4.31Å; Y100-I178 HydrophobicContact CE2-CD1 3.65Å; Y100-I178 HydrophobicContact CE2-CG1 3.82Å; Y100-I178 HydrophobicContact CG-CB 4.4Å; Y100-I178 HydrophobicContact CG-CD1 4.46Å; Y100-I178 PolarHBondContact N-O 2.7Å; Y100-I178 WeakPolarHBondContact O-CA 3.19Å; Y100-I178 WeakPolarHBondContact O-CB 3.11Å; Y100-I178 PolarHBondContact O-N 2.73Å; Y100-I178 VanDerWaalsContact O-O 3.1Å; V102-I178 HydrophobicContact CG2-CD1 4.17Å; F144-I178 HydrophobicContact CE1-CG1 4.45Å; F144-I178 HydrophobicContact CE2-CD1 4.27Å; F144-I178 HydrophobicContact CE2-CG1 3.89Å; F144-I178 HydrophobicContact CZ-CD1 4.44Å; F144-I178 HydrophobicContact CZ-CG1 3.6Å; F144-I178 HydrophobicContact CZ-CG2 4.45Å; I176-I178 HydrophobicContact CB-CD1 4.22Å; I176-I178 HydrophobicContact CG2-CD1 3.9Å; I176-I178 HydrophobicContact CG2-CG1 4.4Å; I176-I178 WeakPolarHBondContact O-CD1 3.36Å; I178-L183 HydrophobicContact CB-CD1 4.34Å; I178-L183 HydrophobicContact CG1-CD1 3.75Å; I178-A234 WeakPolarHBondContact O-CB 3.25Å |
| 179 | Q | 92.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 34 Ų | 34 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 159.2 | 171.2 | -68.8 | 175 | -30.6 | 0 | 0 | 108.7 | E99 R181 V182 A234 N235 | E99-Q179 WeakPolarHBondContact OE1-CA 3.35Å; E99-Q179 WeakPolarHBondContact OE1-CB 3.24Å; E99-Q179 WeakPolarHBondContact OE1-CG 2.95Å; Q179-R181 PolarHBondContact O-N 3.34Å; Q179-V182 WeakPolarHBondContact CA-O 3.46Å; Q179-V182 HydrophobicContact CB-CB 4.12Å; Q179-V182 WeakPolarHBondContact CB-O 3.38Å; Q179-V182 PolarHBondContact N-O 2.83Å; Q179-V182 PolarHBondContact O-N 2.82Å; Q179-V182 VanDerWaalsContact O-N 3.07Å; Q179-A234 HydrophobicContact CG-CB 3.6Å; Q179-N235 PolarHBondContact NE2-OD1 2.98Å; Q179-N235 VanDerWaalsContact NE2-OD1 3.13Å |
| 180 | S | 87.3 | Confident | 93.1 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 29% | 0.287 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -31.2 | -167.6 | -53.2 | 0 | 0 | 0 | 0 | 115.5 | E98 E99 | E98-S180 WeakPolarHBondContact OE1-CB 2.95Å; E98-S180 PolarHBondContact OE1-OG 3.15Å; E99-S180 PolarHBondContact OE1-N 2.75Å |
| 181 | R | 89.2 | Confident | 93.2 | Very high | 141 Ų | 141 | 31.5 Ų | 31.5 | 53% | 0.532 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 16 | 175.7 | -62.9 | -174.1 | -179.2 | -177.7 | -0.2 | 113.8 | Q179 Q196 T197 E199 | Q179-R181 PolarHBondContact O-N 3.34Å; R181-Q196 WeakPolarHBondContact O-CA 3.22Å; R181-T197 WeakPolarHBondContact CA-O 3.39Å; R181-T197 WeakPolarHBondContact CA-OG1 3.44Å; R181-T197 PolarHBondContact O-N 2.84Å; R181-E199 HydrophobicContact CG-CG 4.36Å; R181-E199 IonicContact CZ-OE1 2.61Å; R181-E199 VanDerWaalsContact CZ-OE1 3.23Å; R181-E199 IonicContact NE-OE1 2.79Å; R181-E199 PolarHBondContact NE-OE1 3.4Å; R181-E199 IonicContact NH2-OE1 2.68Å; R181-E199 PolarHBondContact NH2-OE1 2.85Å |
| 182 | V | 93.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 29.6 Ų | 29.6 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 129.5 | -175 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | Q179 R194 R195 T197 | Q179-V182 WeakPolarHBondContact CA-O 3.46Å; Q179-V182 HydrophobicContact CB-CB 4.12Å; Q179-V182 WeakPolarHBondContact CB-O 3.38Å; Q179-V182 PolarHBondContact N-O 2.83Å; Q179-V182 PolarHBondContact O-N 2.82Å; Q179-V182 VanDerWaalsContact O-N 3.07Å; V182-R194 HydrophobicContact CG1-CG 3.57Å; V182-R195 WeakPolarHBondContact CA-O 3.34Å; V182-T197 PolarHBondContact N-OG1 3.02Å |
| 183 | L | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.6 | 176.5 | -170.5 | 72.9 | 0 | 0 | 0 | 109.8 | F144 Y156 F158 I176 S177 I178 R194 R195 T197 | F144-L183 HydrophobicContact CB-CD2 3.64Å; F144-L183 HydrophobicContact CD1-CD1 3.84Å; F144-L183 HydrophobicContact CD1-CD2 3.44Å; F144-L183 VanDerWaalsContact CD1-CD2 3.44Å; F144-L183 HydrophobicContact CD1-CG 4.32Å; F144-L183 HydrophobicContact CD2-CD1 4.23Å; F144-L183 HydrophobicContact CD2-CD2 4.49Å; F144-L183 HydrophobicContact CE1-CD1 3.81Å; F144-L183 HydrophobicContact CE1-CD2 4.2Å; F144-L183 HydrophobicContact CE2-CD1 4.24Å; F144-L183 HydrophobicContact CG-CD1 4.05Å; F144-L183 HydrophobicContact CG-CD2 3.61Å; F144-L183 HydrophobicContact CG-CG 4.48Å; F144-L183 HydrophobicContact CZ-CD1 4.04Å; Y156-L183 HydrophobicContact CG-CD2 4.33Å; F158-L183 HydrophobicContact CE2-CD2 3.57Å; F158-L183 HydrophobicContact CE2-CG 4.2Å; F158-L183 HydrophobicContact CZ-CB 4.43Å; F158-L183 HydrophobicContact CZ-CD2 3.58Å; F158-L183 HydrophobicContact CZ-CG 3.82Å; I176-L183 HydrophobicContact CG2-CD1 3.58Å; I176-L183 HydrophobicContact CG2-CG 4.21Å; S177-L183 WeakPolarHBondContact O-CA 3.47Å; I178-L183 HydrophobicContact CB-CD1 4.34Å; I178-L183 HydrophobicContact CG1-CD1 3.75Å; L183-R194 CarbonylContact O-C 3.49Å; L183-R194 WeakPolarHBondContact O-CA 3.17Å; L183-R195 HydrophobicContact CB-CB 4.49Å; L183-R195 PolarHBondContact N-O 3.1Å; L183-R195 PolarHBondContact O-N 3.43Å; L183-T197 HydrophobicContact CB-CG2 3.63Å |
| 184 | S | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.7 | -176.9 | -56.9 | 0 | 0 | 0 | 0 | 111 | I176 S177 R194 | I176-S184 WeakPolarHBondContact CA-O 3.4Å; S177-S184 PolarHBondContact N-O 2.91Å; S177-S184 PolarHBondContact O-N 2.85Å; S184-R194 PolarHBondContact OG-NE 3.5Å |
| 185 | L | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.5 | 179.8 | -178.3 | 66.4 | 0 | 0 | 0 | 110.5 | V142 F158 L163 L174 I176 I192 A193 | V142-L185 HydrophobicContact CB-CD2 4.18Å; V142-L185 HydrophobicContact CG1-CD1 4.49Å; V142-L185 HydrophobicContact CG2-CD2 4.42Å; F158-L185 HydrophobicContact CB-CD2 3.47Å; F158-L185 VanDerWaalsContact CB-CD2 3.47Å; F158-L185 HydrophobicContact CD1-CB 3.86Å; F158-L185 HydrophobicContact CD1-CD2 3.82Å; F158-L185 HydrophobicContact CD2-CB 4.5Å; F158-L185 HydrophobicContact CD2-CD2 3.96Å; F158-L185 HydrophobicContact CE1-CB 3.73Å; F158-L185 HydrophobicContact CE1-CD2 4.49Å; F158-L185 HydrophobicContact CE2-CB 4.4Å; F158-L185 HydrophobicContact CG-CB 4.22Å; F158-L185 HydrophobicContact CG-CD2 3.48Å; F158-L185 VanDerWaalsContact CG-CD2 3.48Å; F158-L185 HydrophobicContact CG-CG 4.46Å; F158-L185 HydrophobicContact CZ-CB 4.02Å; L163-L185 HydrophobicContact CD1-CD2 3.95Å; L163-L185 HydrophobicContact CD2-CD2 4.04Å; L174-L185 HydrophobicContact CD1-CD1 3.98Å; L174-L185 HydrophobicContact CG-CD1 4.31Å; I176-L185 HydrophobicContact CD1-CD1 4.12Å; I176-L185 HydrophobicContact CG1-CD1 3.76Å; L185-I192 HydrophobicContact CD2-CG2 4.32Å; L185-I192 HydrophobicContact CG-CB 4.38Å; L185-I192 WeakPolarHBondContact O-CB 3.36Å; L185-I192 PolarHBondContact O-N 2.71Å; L185-A193 PolarHBondContact N-O 3.42Å; L185-A193 PolarHBondContact O-N 2.92Å |
| 186 | Y | 95 | Very high | 93.3 | Very high | 32 Ų | 32 | 48 Ų | 48 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.1 | 177.9 | -65.1 | -100.4 | 0 | 0 | 0 | 110.6 | G175 N190 L191 I237 A238 | G175-Y186 PolarHBondContact N-O 2.87Å; G175-Y186 PolarHBondContact O-N 2.81Å; Y186-N190 CarbonylContact C-O 3.56Å; Y186-N190 VanDerWaalsContact CA-O 3.24Å; Y186-N190 WeakPolarHBondContact CA-O 3.39Å; Y186-L191 HydrophobicContact CD1-CB 4.12Å; Y186-L191 HydrophobicContact CD1-CD1 4.38Å; Y186-L191 HydrophobicContact CD2-CD1 4.37Å; Y186-L191 HydrophobicContact CE1-CB 3.87Å; Y186-L191 HydrophobicContact CE1-CD1 4.01Å; Y186-L191 HydrophobicContact CE1-CG 4.43Å; Y186-L191 HydrophobicContact CE2-CD1 3.99Å; Y186-I237 HydrophobicContact CD2-CG1 4.33Å; Y186-I237 HydrophobicContact CD2-CG2 3.56Å; Y186-I237 HydrophobicContact CE2-CG2 3.4Å; Y186-I237 VanDerWaalsContact CE2-CG2 3.4Å; Y186-I237 HydrophobicContact CG-CG2 4.32Å; Y186-A238 HydrophobicContact CD1-CB 4.49Å; Y186-A238 HydrophobicContact CE1-CB 3.9Å |
| 187 | M | 94.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 120.4 | 172.6 | -173.2 | -167.3 | 76.6 | 0 | 0 | 108.3 | L163 A165 L166 K173 L174 N190 I192 | L163-M187 HydrophobicContact CD2-SD 4.1Å; A165-M187 HydrophobicContact CB-CE 3.98Å; L166-M187 HydrophobicContact CB-SD 4Å; L166-M187 HydrophobicContact CD1-SD 4.45Å; K173-M187 WeakPolarHBondContact O-CA 3.34Å; L174-M187 HydrophobicContact CD1-CB 4.12Å; L174-M187 HydrophobicContact CD1-CG 4.19Å; M187-N190 PolarHBondContact N-O 3.04Å; M187-N190 WeakPolarHBondContact O-CB 3.41Å; M187-N190 PolarHBondContact O-N 3.4Å; M187-I192 HydrophobicContact CB-CD1 3.96Å; M187-I192 HydrophobicContact CB-CG1 3.62Å; M187-I192 HydrophobicContact CE-CD1 4.25Å |
| 188 | D | 91.5 | Very high | 92.4 | Very high | 29 Ų | 29 | 53 Ų | 53 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 72 | 176.3 | -47.9 | -37.2 | 0 | 0 | 0 | 112.6 | H172 K173 N190 I245 | H172-D188 VanDerWaalsContact CA-OD1 3.29Å; H172-D188 WeakPolarHBondContact CA-OD1 3.35Å; H172-D188 IonicContact CE1-OD2 2.72Å; H172-D188 IonicContact CG-OD2 3.18Å; H172-D188 IonicContact ND1-OD1 2.77Å; H172-D188 IonicContact ND1-OD2 3.76Å; H172-D188 PolarHBondContact ND1-OD2 3.43Å; K173-D188 PolarHBondContact N-OD1 2.82Å; K173-D188 PolarHBondContact O-N 3.22Å; K173-D188 VanDerWaalsContact O-N 3.09Å; D188-N190 PolarHBondContact O-N 3.44Å; D188-N190 PolarHBondContact O-ND2 2.86Å; D188-I245 HydrophobicContact CB-CD1 3.59Å |
| 189 | C | 87.8 | Confident | 91.6 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -31.9 | -162.8 | -82.8 | 0 | 0 | 0 | 0 | 117.1 | T241 C242 | C189-T241 PolarHBondContact N-O 3.11Å; C189-C242 WeakPolarHBondContact CA-SG 3.31Å; C189-C242 HydrophobicContact CB-CB 4.29Å; C189-C242 WeakPolarHBondContact CB-SG 3.37Å; C189-C242 WeakPolarHBondContact SG-CA 3.26Å; C189-C242 WeakPolarHBondContact SG-CB 3.44Å; C189-C242 CovalentContact SG-SG 2.04Å; C189-C242 PolarHBondContact SG-SG 3.36Å |
| 190 | N | 90.2 | Very high | 90.9 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 54% | 0.535 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.9 | -160.4 | -67.3 | -78.3 | 0 | 0 | 0 | 112.8 | Y186 M187 D188 I192 | Y186-N190 CarbonylContact C-O 3.56Å; Y186-N190 VanDerWaalsContact CA-O 3.24Å; Y186-N190 WeakPolarHBondContact CA-O 3.39Å; M187-N190 PolarHBondContact N-O 3.04Å; M187-N190 WeakPolarHBondContact O-CB 3.41Å; M187-N190 PolarHBondContact O-N 3.4Å; D188-N190 PolarHBondContact O-N 3.44Å; D188-N190 PolarHBondContact O-ND2 2.86Å; N190-I192 HydrophobicContact CB-CD1 3.98Å; N190-I192 PolarHBondContact O-N 2.81Å; N190-I192 VanDerWaalsContact O-N 3.09Å |
| 191 | L | 93.3 | Very high | 90.4 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 47% | 0.466 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 96.1 | 168.9 | 174.9 | 59.7 | 0 | 0 | 0 | 109.6 | Y186 | Y186-L191 HydrophobicContact CD1-CB 4.12Å; Y186-L191 HydrophobicContact CD1-CD1 4.38Å; Y186-L191 HydrophobicContact CD2-CD1 4.37Å; Y186-L191 HydrophobicContact CE1-CB 3.87Å; Y186-L191 HydrophobicContact CE1-CD1 4.01Å; Y186-L191 HydrophobicContact CE1-CG 4.43Å; Y186-L191 HydrophobicContact CE2-CD1 3.99Å |
| 192 | I | 94.8 | Very high | 90 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -37.7 | -176.5 | -57.4 | -50.5 | 0 | 0 | 0 | 112 | N160 E162 L163 L185 M187 N190 | N160-I192 HydrophobicContact CB-CG2 3.61Å; N160-I192 WeakPolarHBondContact ND2-CG2 3.26Å; N160-I192 PolarHBondContact ND2-O 3.11Å; E162-I192 HydrophobicContact CB-CD1 3.86Å; L163-I192 HydrophobicContact CD1-CG2 4.15Å; L163-I192 HydrophobicContact CD2-CG1 4.43Å; L163-I192 HydrophobicContact CD2-CG2 3.88Å; L163-I192 HydrophobicContact CG-CG2 3.71Å; L185-I192 HydrophobicContact CD2-CG2 4.32Å; L185-I192 HydrophobicContact CG-CB 4.38Å; L185-I192 WeakPolarHBondContact O-CB 3.36Å; L185-I192 PolarHBondContact O-N 2.71Å; M187-I192 HydrophobicContact CB-CD1 3.96Å; M187-I192 HydrophobicContact CB-CG1 3.62Å; M187-I192 HydrophobicContact CE-CD1 4.25Å; N190-I192 HydrophobicContact CB-CD1 3.98Å; N190-I192 PolarHBondContact O-N 2.81Å; N190-I192 VanDerWaalsContact O-N 3.09Å |
| 193 | A | 95 | Very high | 89.5 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 145.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F158 L185 | F158-A193 HydrophobicContact CD1-CB 3.64Å; F158-A193 HydrophobicContact CE1-CB 3.97Å; L185-A193 PolarHBondContact N-O 3.42Å; L185-A193 PolarHBondContact O-N 2.92Å |
| 194 | R | 95.2 | Very high | 89.1 | Confident | 136 Ų | 136 | 58.1 Ų | 58.1 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 148.2 | 161.4 | -176.6 | 168.9 | -79.3 | -179.9 | -6.1 | 110.4 | V182 L183 S184 | V182-R194 HydrophobicContact CG1-CG 3.57Å; L183-R194 CarbonylContact O-C 3.49Å; L183-R194 WeakPolarHBondContact O-CA 3.17Å; S184-R194 PolarHBondContact OG-NE 3.5Å |
| 195 | R | 94.8 | Very high | 88.9 | Confident | 93 Ų | 93 | 59.8 Ų | 59.8 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.3 | 168.4 | -65.4 | -66.2 | 177 | -97.9 | 5.6 | 108.1 | Y156 F158 V182 L183 | Y156-R195 HydrophobicContact CD1-CB 4.36Å; F158-R195 HydrophobicContact CD1-CG 4.25Å; F158-R195 HydrophobicContact CE1-CB 4.43Å; F158-R195 HydrophobicContact CE1-CG 3.58Å; F158-R195 HydrophobicContact CZ-CB 4.47Å; F158-R195 HydrophobicContact CZ-CG 3.92Å; V182-R195 WeakPolarHBondContact CA-O 3.34Å; L183-R195 HydrophobicContact CB-CB 4.49Å; L183-R195 PolarHBondContact N-O 3.1Å; L183-R195 PolarHBondContact O-N 3.43Å |
| 196 | Q | 92.2 | Very high | 88.6 | Confident | 159 Ų | 159 | 65.1 Ų | 65.1 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 144.3 | 162.5 | -167.2 | 167.5 | 5.7 | 0 | 0 | 107.8 | Y156 R181 | Y156-Q196 WeakPolarHBondContact CE1-O 3.46Å; R181-Q196 WeakPolarHBondContact O-CA 3.22Å |
| 197 | T | 88.3 | Confident | 88.6 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | trans | -125.4 | 152.8 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | F146 Y156 R181 V182 L183 | F146-T197 HydrophobicContact CE1-CG2 4.24Å; Y156-T197 HydrophobicContact CD1-CG2 4.13Å; Y156-T197 HydrophobicContact CD2-CG2 4.32Å; Y156-T197 HydrophobicContact CE1-CG2 3.79Å; Y156-T197 HydrophobicContact CE2-CG2 4Å; Y156-T197 HydrophobicContact CG-CG2 4.39Å; Y156-T197 WeakPolarHBondContact OH-CA 3.44Å; R181-T197 WeakPolarHBondContact CA-O 3.39Å; R181-T197 WeakPolarHBondContact CA-OG1 3.44Å; R181-T197 PolarHBondContact O-N 2.84Å; V182-T197 PolarHBondContact N-OG1 3.02Å; L183-T197 HydrophobicContact CB-CG2 3.63Å | ||
| 198 | D | 85.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 52% | 0.524 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 172.9 | 167.3 | -44.7 | -80 | 0 | 0 | 0 | 109.3 | L154 Y156 | L154-D198 HydrophobicContact CD1-CB 3.74Å; Y156-D198 PolarHBondContact OH-N 3.2Å; Y156-D198 PolarHBondContact OH-OD2 2.97Å |
| 199 | E | 77.4 | Confident | 88.9 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 137.4 | -176.4 | -65.2 | -176.3 | 159.5 | 0 | 0 | 112 | R181 | R181-E199 HydrophobicContact CG-CG 4.36Å; R181-E199 IonicContact CZ-OE1 2.61Å; R181-E199 VanDerWaalsContact CZ-OE1 3.23Å; R181-E199 IonicContact NE-OE1 2.79Å; R181-E199 PolarHBondContact NE-OE1 3.4Å; R181-E199 IonicContact NH2-OE1 2.68Å; R181-E199 PolarHBondContact NH2-OE1 2.85Å |
| 200 | K | 76.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 65 Ų | 65 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -88.6 | 138.5 | -175.4 | 178.9 | -174.7 | 164.2 | -165.7 | 0 | 110.6 | Y100 F146 V203 | Y100-K200 VanDerWaalsContact CE1-NZ 3.29Å; Y100-K200 PolarHBondContact OH-NZ 3.28Å; F146-K200 HydrophobicContact CD2-CB 3.89Å; F146-K200 HydrophobicContact CD2-CG 3.75Å; F146-K200 HydrophobicContact CE2-CB 3.8Å; F146-K200 HydrophobicContact CE2-CG 4.2Å; F146-K200 HydrophobicContact CG-CG 4.29Å; F146-K200 HydrophobicContact CZ-CB 4.5Å; K200-V203 VanDerWaalsContact CE-CG2 3.5Å |
| 201 | D | 76.4 | Confident | 89.7 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 161.5 | 175.5 | -154.9 | -9.4 | 0 | 0 | 0 | 112.5 | Q147 T149 V203 | Q147-D201 VanDerWaalsContact O-CB 3.3Å; Q147-D201 WeakPolarHBondContact O-CB 3.26Å; Q147-D201 PolarHBondContact O-N 2.87Å; T149-D201 HydrophobicContact CG2-CB 4.3Å; D201-V203 PolarHBondContact O-N 3.35Å; D201-V203 VanDerWaalsContact O-N 3.1Å |
| 202 | T | 80.6 | Confident | 89.8 | Confident | 124 Ų | 124 | 56 Ų | 56 | 76% | 0.761 | 27% | 0.27 | S | S | * | . | trans | -50.9 | 109.5 | 155.2 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 203 | V | 84.2 | Confident | 89.9 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -77.5 | 128.3 | -178.8 | 160.9 | 0 | 0 | 0 | 0 | 110.3 | V122 Q130 I131 K200 D201 F205 | V122-V203 HydrophobicContact CG1-CG1 4.48Å; Q130-V203 HydrophobicContact CB-CG1 3.85Å; Q130-V203 HydrophobicContact CG-CG1 4.44Å; I131-V203 HydrophobicContact CD1-CG1 4.12Å; I131-V203 HydrophobicContact CD1-CG2 4.07Å; I131-V203 HydrophobicContact CG1-CG1 4.29Å; I131-V203 HydrophobicContact CG1-CG2 3.94Å; K200-V203 VanDerWaalsContact CE-CG2 3.5Å; D201-V203 PolarHBondContact O-N 3.35Å; D201-V203 VanDerWaalsContact O-N 3.1Å; V203-F205 HydrophobicContact CB-CD2 4.33Å; V203-F205 HydrophobicContact CB-CE2 3.72Å; V203-F205 HydrophobicContact CB-CZ 3.86Å; V203-F205 HydrophobicContact CG1-CD1 4.12Å; V203-F205 HydrophobicContact CG1-CD2 4.02Å; V203-F205 HydrophobicContact CG1-CE1 3.79Å; V203-F205 HydrophobicContact CG1-CE2 3.68Å; V203-F205 HydrophobicContact CG1-CG 4.22Å; V203-F205 HydrophobicContact CG1-CZ 3.55Å; V203-F205 WeakPolarHBondContact O-CD2 3.25Å; V203-F205 WeakPolarHBondContact O-CE2 3.39Å; V203-F205 PolarHBondContact O-N 2.83Å; V203-F205 VanDerWaalsContact O-N 3.07Å | ||
| 204 | D | 86.8 | Confident | 89.9 | Confident | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | trans | -72.6 | 101.9 | 172 | -177.4 | 17.4 | 0 | 0 | 0 | 111.1 | N124 Q130 H206 | N124-D204 HydrophobicContact CB-CB 3.97Å; N124-D204 WeakPolarHBondContact CB-OD2 3.35Å; Q130-D204 HydrophobicContact CG-CB 4.48Å; D204-H206 VanDerWaalsContact C-N 3.3Å; D204-H206 WeakPolarHBondContact OD1-CA 3.46Å; D204-H206 VanDerWaalsContact OD1-CB 3.24Å; D204-H206 WeakPolarHBondContact OD1-CB 3.34Å; D204-H206 IonicContact OD1-CD2 2.7Å; D204-H206 PolarHBondContact OD1-CD2 3.44Å; D204-H206 IonicContact OD1-CG 3.76Å; D204-H206 PolarHBondContact OD1-N 3.25Å | ||
| 205 | F | 90.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | trans | -82.5 | -0.6 | 173.5 | -63.4 | -83.7 | 0 | 0 | 0 | 113.4 | T88 I89 F92 L96 V203 G207 | T88-F205 WeakPolarHBondContact CB-O 3.29Å; T88-F205 HydrophobicContact CG2-CB 3.9Å; T88-F205 HydrophobicContact CG2-CD1 3.63Å; T88-F205 HydrophobicContact CG2-CG 4.25Å; T88-F205 WeakPolarHBondContact CG2-O 3.46Å; I89-F205 PolarHBondContact N-O 2.83Å; F92-F205 HydrophobicContact CB-CD1 4.2Å; F92-F205 HydrophobicContact CD2-CD1 4.41Å; L96-F205 HydrophobicContact CB-CE1 4.21Å; L96-F205 HydrophobicContact CB-CZ 3.82Å; L96-F205 HydrophobicContact CD1-CE1 4.08Å; L96-F205 HydrophobicContact CD1-CZ 4.34Å; L96-F205 HydrophobicContact CG-CE1 3.87Å; L96-F205 HydrophobicContact CG-CZ 4.02Å; L96-F205 VanDerWaalsContact N-CZ 3.26Å; V203-F205 HydrophobicContact CB-CD2 4.33Å; V203-F205 HydrophobicContact CB-CE2 3.72Å; V203-F205 HydrophobicContact CB-CZ 3.86Å; V203-F205 HydrophobicContact CG1-CD1 4.12Å; V203-F205 HydrophobicContact CG1-CD2 4.02Å; V203-F205 HydrophobicContact CG1-CE1 3.79Å; V203-F205 HydrophobicContact CG1-CE2 3.68Å; V203-F205 HydrophobicContact CG1-CG 4.22Å; V203-F205 HydrophobicContact CG1-CZ 3.55Å; V203-F205 WeakPolarHBondContact O-CD2 3.25Å; V203-F205 WeakPolarHBondContact O-CE2 3.39Å; V203-F205 PolarHBondContact O-N 2.83Å; V203-F205 VanDerWaalsContact O-N 3.07Å; F205-G207 PolarHBondContact O-N 3.31Å | ||
| 206 | H | 90.3 | Very high | 89.8 | Confident | 113 Ų | 113 | 54.7 Ų | 54.7 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -84 | 63.6 | 172.6 | -60.2 | -87.4 | 0 | 0 | 0 | 111.5 | Q125 D204 | Q125-H206 WeakPolarHBondContact CA-O 3.27Å; Q125-H206 WeakPolarHBondContact CB-O 3.41Å; Q125-H206 WeakPolarHBondContact CG-O 3.2Å; Q125-H206 PolarHBondContact N-O 3.07Å; Q125-H206 VanDerWaalsContact N-O 3.15Å; Q125-H206 VanDerWaalsContact NE2-CB 3.32Å; Q125-H206 PolarHBondContact NE2-O 2.74Å; Q125-H206 VanDerWaalsContact NE2-O 3.09Å; D204-H206 VanDerWaalsContact C-N 3.3Å; D204-H206 WeakPolarHBondContact OD1-CA 3.46Å; D204-H206 VanDerWaalsContact OD1-CB 3.24Å; D204-H206 WeakPolarHBondContact OD1-CB 3.34Å; D204-H206 IonicContact OD1-CD2 2.7Å; D204-H206 PolarHBondContact OD1-CD2 3.44Å; D204-H206 IonicContact OD1-CG 3.76Å; D204-H206 PolarHBondContact OD1-N 3.25Å |
| 207 | G | 93.9 | Very high | 89.8 | Confident | 13 Ų | 13 | 50 Ų | 50 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | -137.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T88 L123 F205 | T88-G207 PolarHBondContact N-O 2.81Å; T88-G207 VanDerWaalsContact OG1-C 3.26Å; T88-G207 PolarHBondContact OG1-O 2.91Å; L123-G207 CarbonylContact O-C 3.6Å; L123-G207 VanDerWaalsContact O-CA 3.27Å; L123-G207 WeakPolarHBondContact O-CA 3.47Å; F205-G207 PolarHBondContact O-N 3.31Å |
| 208 | R | 96.3 | Very high | 89.9 | Confident | 107 Ų | 107 | 51 Ų | 51 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.7 | -174.8 | -61.9 | -169.1 | -70.8 | -177.4 | -1.8 | 112.6 | I85 R86 T88 L123 N127 | I85-R208 HydrophobicContact CG2-CB 4.11Å; R86-R208 CarbonylContact O-C 3.51Å; R86-R208 WeakPolarHBondContact O-CA 3.28Å; T88-R208 VanDerWaalsContact OG1-CA 3.25Å; T88-R208 WeakPolarHBondContact OG1-CA 3.4Å; T88-R208 PolarHBondContact OG1-N 2.88Å; T88-R208 VanDerWaalsContact OG1-N 3.11Å; T88-R208 PolarHBondContact OG1-O 3.09Å; L123-R208 WeakPolarHBondContact CA-O 3.2Å; L123-R208 WeakPolarHBondContact CB-O 3.35Å; L123-R208 PolarHBondContact N-O 3.38Å; L123-R208 PolarHBondContact O-N 2.85Å; N127-R208 PolarHBondContact OD1-NE 2.78Å; N127-R208 PolarHBondContact OD1-NH2 2.88Å |
| 209 | T | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.4 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | F63 I85 R86 T88 V91 W120 Q121 | F63-T209 HydrophobicContact CE2-CG2 4.24Å; F63-T209 HydrophobicContact CZ-CG2 3.83Å; F63-T209 WeakPolarHBondContact CZ-O 3.46Å; I85-T209 WeakPolarHBondContact CA-O 3.37Å; R86-T209 HydrophobicContact CB-CG2 4.08Å; R86-T209 PolarHBondContact N-O 2.86Å; R86-T209 PolarHBondContact O-N 2.81Å; T88-T209 PolarHBondContact OG1-N 2.86Å; V91-T209 HydrophobicContact CB-CG2 4.11Å; V91-T209 HydrophobicContact CG2-CG2 3.68Å; W120-T209 PolarHBondContact NE1-OG1 3.1Å; W120-T209 VanDerWaalsContact NE1-OG1 3.1Å; Q121-T209 WeakPolarHBondContact O-CA 3.38Å |
| 210 | V | 96.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.5 | -175.6 | -48.6 | 0 | 0 | 0 | 0 | 110.5 | L84 I85 W120 Q121 | L84-V210 WeakPolarHBondContact O-CA 3.46Å; I85-V210 HydrophobicContact CB-CG1 4.24Å; I85-V210 HydrophobicContact CD1-CG1 4.32Å; I85-V210 HydrophobicContact CG1-CB 4.47Å; I85-V210 HydrophobicContact CG1-CG1 3.76Å; I85-V210 HydrophobicContact CG2-CG1 4.05Å; W120-V210 CarbonylContact C-O 3.57Å; W120-V210 WeakPolarHBondContact CA-O 3.48Å; Q121-V210 HydrophobicContact CB-CG2 3.7Å; Q121-V210 HydrophobicContact CG-CG2 4.11Å; Q121-V210 PolarHBondContact N-O 3.07Å; Q121-V210 PolarHBondContact O-N 2.8Å |
| 211 | I | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.9 | 179.8 | 60.7 | 171.7 | 0 | 0 | 0 | 111.5 | L59 F63 L65 L84 L119 W120 T213 L228 | L59-I211 HydrophobicContact CB-CG2 4.48Å; L59-I211 HydrophobicContact CD1-CG2 3.93Å; F63-I211 HydrophobicContact CB-CD1 3.9Å; F63-I211 HydrophobicContact CD1-CD1 3.85Å; F63-I211 HydrophobicContact CD1-CG1 3.77Å; F63-I211 HydrophobicContact CD2-CD1 3.62Å; F63-I211 HydrophobicContact CD2-CG1 4.17Å; F63-I211 HydrophobicContact CD2-CG2 4.46Å; F63-I211 HydrophobicContact CE1-CD1 4.25Å; F63-I211 HydrophobicContact CE1-CG1 3.78Å; F63-I211 HydrophobicContact CE1-CG2 4.47Å; F63-I211 HydrophobicContact CE2-CD1 4.03Å; F63-I211 HydrophobicContact CE2-CG1 4.16Å; F63-I211 HydrophobicContact CE2-CG2 3.81Å; F63-I211 HydrophobicContact CG-CD1 3.5Å; F63-I211 HydrophobicContact CG-CG1 3.97Å; F63-I211 HydrophobicContact CZ-CB 4.39Å; F63-I211 HydrophobicContact CZ-CD1 4.32Å; F63-I211 HydrophobicContact CZ-CG1 3.96Å; F63-I211 HydrophobicContact CZ-CG2 3.81Å; L65-I211 HydrophobicContact CD1-CD1 4Å; L84-I211 HydrophobicContact CB-CG1 3.95Å; L84-I211 WeakPolarHBondContact CB-O 3.4Å; L84-I211 HydrophobicContact CD1-CG1 4.23Å; L84-I211 PolarHBondContact O-N 3.35Å; L119-I211 WeakPolarHBondContact O-CA 3.31Å; W120-I211 HydrophobicContact CB-CG2 4.31Å; W120-I211 HydrophobicContact CG-CG2 4.4Å; I211-T213 VanDerWaalsContact C-N 3.29Å; I211-T213 PolarHBondContact O-N 2.89Å; I211-L228 HydrophobicContact CB-CD2 3.87Å; I211-L228 HydrophobicContact CD1-CD2 4.22Å; I211-L228 HydrophobicContact CG2-CD2 3.64Å |
| 212 | A | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L79 F118 L119 P220 V221 I223 | L79-A212 HydrophobicContact CD1-CB 3.73Å; L79-A212 HydrophobicContact CD2-CB 4.28Å; F118-A212 CarbonylContact O-C 3.55Å; F118-A212 WeakPolarHBondContact O-CA 3.43Å; F118-A212 PolarHBondContact O-N 2.8Å; F118-A212 VanDerWaalsContact O-N 3.11Å; L119-A212 PolarHBondContact O-N 3.02Å; A212-P220 CarbonylContact O-C 3.54Å; A212-P220 WeakPolarHBondContact O-CA 3.03Å; A212-V221 HydrophobicContact CB-CG1 4.12Å; A212-V221 WeakPolarHBondContact O-CG1 3.46Å; A212-V221 PolarHBondContact O-N 3.07Å; A212-I223 HydrophobicContact CB-CD1 4.2Å |
| 213 | T | 96.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.7 | -179.8 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | W117 F118 I211 G218 K219 | W117-T213 CarbonylContact C-O 3.57Å; W117-T213 WeakPolarHBondContact CA-O 3.47Å; W117-T213 WeakPolarHBondContact CB-O 3.4Å; F118-T213 PolarHBondContact N-O 3.28Å; F118-T213 PolarHBondContact O-N 3.43Å; I211-T213 VanDerWaalsContact C-N 3.29Å; I211-T213 PolarHBondContact O-N 2.89Å; T213-G218 VanDerWaalsContact CG2-O 3.26Å; T213-G218 WeakPolarHBondContact CG2-O 3.36Å; T213-K219 CarbonylContact C-O 3.55Å; T213-K219 WeakPolarHBondContact CA-O 3.39Å |
| 214 | R | 96.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 136 | 178.5 | -61.4 | -175.8 | -60.7 | 165.7 | 5.2 | 111 | E115 W117 A216 D217 G218 K219 V221 | E115-R214 VanDerWaalsContact CD-CD 3.42Å; E115-R214 VanDerWaalsContact OE1-CD 3.22Å; E115-R214 WeakPolarHBondContact OE1-CD 3.43Å; E115-R214 IonicContact OE1-CZ 2.72Å; E115-R214 IonicContact OE1-NE 3.43Å; E115-R214 IonicContact OE1-NH1 3.23Å; E115-R214 PolarHBondContact OE1-NH1 3.11Å; E115-R214 WeakPolarHBondContact OE2-CD 3.46Å; W117-R214 HydrophobicContact CB-CG 4.46Å; R214-A216 PolarHBondContact O-N 2.01Å; R214-D217 IonicContact CZ-OD1 2.85Å; R214-D217 IonicContact CZ-OD2 2.78Å; R214-D217 IonicContact NE-OD1 3.33Å; R214-D217 PolarHBondContact NE-OD1 2.9Å; R214-D217 IonicContact NH2-OD1 3.72Å; R214-D217 PolarHBondContact NH2-OD1 2.91Å; R214-D217 IonicContact NH2-OD2 3.33Å; R214-D217 PolarHBondContact NH2-OD2 3.47Å; R214-D217 PolarHBondContact O-N 3.18Å; R214-G218 WeakPolarHBondContact O-CA 3.19Å; R214-G218 PolarHBondContact O-N 2.77Å; R214-K219 PolarHBondContact N-O 3.26Å; R214-V221 HydrophobicContact CG-CB 3.58Å; R214-V221 HydrophobicContact CG-CG2 3.81Å |
| 215 | V | 94.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.4 | -178.3 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | R116 F118 V134 | R116-V215 HydrophobicContact CB-CG2 4.49Å; R116-V215 HydrophobicContact CG-CB 4.46Å; R116-V215 HydrophobicContact CG-CG2 3.94Å; R116-V215 WeakPolarHBondContact O-CB 3.45Å; R116-V215 WeakPolarHBondContact O-CG2 3.45Å; R116-V215 PolarHBondContact O-N 2.79Å; F118-V215 HydrophobicContact CD1-CG2 4.12Å; F118-V215 HydrophobicContact CD2-CG2 4.03Å; F118-V215 HydrophobicContact CE1-CG2 3.83Å; F118-V215 HydrophobicContact CE2-CB 4.29Å; F118-V215 HydrophobicContact CE2-CG1 4.37Å; F118-V215 HydrophobicContact CE2-CG2 3.74Å; F118-V215 HydrophobicContact CG-CG2 4.22Å; F118-V215 HydrophobicContact CZ-CB 4.34Å; F118-V215 HydrophobicContact CZ-CG1 4.09Å; F118-V215 HydrophobicContact CZ-CG2 3.64Å; V134-V215 HydrophobicContact CG1-CG2 4.32Å |
| 216 | A | 92.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 37.8 Ų | 37.8 | 84% | 0.835 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -35.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R214 | R214-A216 PolarHBondContact O-N 2.01Š|
| 217 | D | 91.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 33% | 0.326 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.7 | 5.6 | -174.1 | 80.1 | -19.4 | 0 | 0 | 0 | 115.6 | R214 K219 | R214-D217 IonicContact CZ-OD1 2.85Å; R214-D217 IonicContact CZ-OD2 2.78Å; R214-D217 IonicContact NE-OD1 3.33Å; R214-D217 PolarHBondContact NE-OD1 2.9Å; R214-D217 IonicContact NH2-OD1 3.72Å; R214-D217 PolarHBondContact NH2-OD1 2.91Å; R214-D217 IonicContact NH2-OD2 3.33Å; R214-D217 PolarHBondContact NH2-OD2 3.47Å; R214-D217 PolarHBondContact O-N 3.18Å; D217-K219 PolarHBondContact O-N 3.21Å; D217-K219 WeakPolarHBondContact OD1-CB 3.37Å; D217-K219 PolarHBondContact OD1-N 3.2Å; D217-K219 VanDerWaalsContact OD2-CD 3.29Å; D217-K219 WeakPolarHBondContact OD2-CD 3.49Å; D217-K219 WeakPolarHBondContact OD2-CE 3.04Å; D217-K219 WeakPolarHBondContact OD2-CG 3.36Å; D217-K219 IonicContact OD2-NZ 3.43Å; D217-K219 PolarHBondContact OD2-NZ 3.14Å |
| 218 | G | 91.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 33% | 0.33 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 69 | -4.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T213 R214 | T213-G218 VanDerWaalsContact CG2-O 3.26Å; T213-G218 WeakPolarHBondContact CG2-O 3.36Å; R214-G218 WeakPolarHBondContact O-CA 3.19Å; R214-G218 PolarHBondContact O-N 2.77Å |
| 219 | K | 94.4 | Very high | 94.1 | Very high | 105 Ų | 105 | 28.4 Ų | 28.4 | 46% | 0.457 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -75.1 | 161.2 | 178.2 | -57.7 | -169.7 | -166.2 | 106.3 | 0 | 111 | L83 T213 R214 D217 | L83-K219 HydrophobicContact CD2-CG 4.29Å; T213-K219 CarbonylContact C-O 3.55Å; T213-K219 WeakPolarHBondContact CA-O 3.39Å; R214-K219 PolarHBondContact N-O 3.26Å; D217-K219 PolarHBondContact O-N 3.21Å; D217-K219 WeakPolarHBondContact OD1-CB 3.37Å; D217-K219 PolarHBondContact OD1-N 3.2Å; D217-K219 VanDerWaalsContact OD2-CD 3.29Å; D217-K219 WeakPolarHBondContact OD2-CD 3.49Å; D217-K219 WeakPolarHBondContact OD2-CE 3.04Å; D217-K219 WeakPolarHBondContact OD2-CG 3.36Å; D217-K219 IonicContact OD2-NZ 3.43Å; D217-K219 PolarHBondContact OD2-NZ 3.14Å |
| 220 | P | 95.1 | Very high | 94 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 10% | 0.104 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -50.9 | 142.9 | 172.8 | -28 | 36.1 | 0 | 0 | 0 | 112.8 | L79 A82 L84 A212 | L79-P220 HydrophobicContact CB-CB 4.19Å; A82-P220 WeakPolarHBondContact O-CD 3.03Å; A82-P220 WeakPolarHBondContact O-CG 3.4Å; L84-P220 HydrophobicContact CG-CG 4.25Å; A212-P220 CarbonylContact O-C 3.54Å; A212-P220 WeakPolarHBondContact O-CA 3.03Å |
| 221 | V | 95.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 146.8 | 172.9 | 67.7 | 0 | 0 | 0 | 0 | 111 | A112 W117 A212 R214 I223 | A112-V221 HydrophobicContact CB-CG2 3.54Å; W117-V221 HydrophobicContact CB-CB 4.06Å; W117-V221 HydrophobicContact CB-CG1 4.37Å; W117-V221 HydrophobicContact CB-CG2 3.95Å; W117-V221 HydrophobicContact CD2-CB 4.38Å; W117-V221 HydrophobicContact CD2-CG1 3.9Å; W117-V221 HydrophobicContact CD2-CG2 4.1Å; W117-V221 HydrophobicContact CE3-CG1 3.77Å; W117-V221 HydrophobicContact CG-CB 4.17Å; W117-V221 HydrophobicContact CG-CG1 4.2Å; W117-V221 HydrophobicContact CG-CG2 3.71Å; W117-V221 HydrophobicContact CZ3-CG1 4.29Å; A212-V221 HydrophobicContact CB-CG1 4.12Å; A212-V221 WeakPolarHBondContact O-CG1 3.46Å; A212-V221 PolarHBondContact O-N 3.07Å; R214-V221 HydrophobicContact CG-CB 3.58Å; R214-V221 HydrophobicContact CG-CG2 3.81Å; V221-I223 VanDerWaalsContact C-N 3.27Å; V221-I223 HydrophobicContact CG1-CB 4.43Å; V221-I223 HydrophobicContact CG1-CD1 3.8Å; V221-I223 HydrophobicContact CG1-CG1 3.87Å; V221-I223 HydrophobicContact CG1-CG2 3.91Å; V221-I223 HydrophobicContact CG2-CG2 4.2Å; V221-I223 PolarHBondContact O-N 3.19Å |
| 222 | D | 92.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 29.2 Ų | 29.2 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -75.3 | 77.1 | 176.3 | -176.6 | 40.6 | 0 | 0 | 0 | 111 | R109 N111 A112 | R109-D222 VanDerWaalsContact CB-O 3.28Å; R109-D222 WeakPolarHBondContact CB-O 3.4Å; R109-D222 WeakPolarHBondContact CB-OD2 3.48Å; R109-D222 VanDerWaalsContact CD-CG 3.48Å; R109-D222 WeakPolarHBondContact CD-OD1 3.49Å; R109-D222 IonicContact CZ-OD1 2.74Å; R109-D222 PolarHBondContact N-O 3.23Å; R109-D222 IonicContact NE-OD1 3.95Å; R109-D222 IonicContact NH1-OD1 3.48Å; R109-D222 PolarHBondContact NH1-OD1 3.33Å; N111-D222 HydrophobicContact CB-CB 4.25Å; N111-D222 PolarHBondContact ND2-OD2 3.14Å; A112-D222 WeakPolarHBondContact CB-O 3.13Å |
| 223 | I | 93.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.046 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 162 | 169.9 | 70.9 | -177.5 | 0 | 0 | 0 | 110 | L79 F106 V108 A112 W117 A212 V221 | L79-I223 HydrophobicContact CD1-CD1 4.34Å; L79-I223 HydrophobicContact CD1-CG1 3.67Å; F106-I223 HydrophobicContact CB-CD1 4.31Å; V108-I223 HydrophobicContact CG1-CG2 4.48Å; V108-I223 HydrophobicContact CG2-CG2 4.44Å; A112-I223 HydrophobicContact CB-CG2 3.89Å; W117-I223 HydrophobicContact CH2-CD1 3.72Å; W117-I223 HydrophobicContact CH2-CG2 4.31Å; W117-I223 HydrophobicContact CZ2-CD1 4.48Å; W117-I223 HydrophobicContact CZ2-CG2 4.06Å; W117-I223 HydrophobicContact CZ3-CD1 3.74Å; A212-I223 HydrophobicContact CB-CD1 4.2Å; V221-I223 VanDerWaalsContact C-N 3.27Å; V221-I223 HydrophobicContact CG1-CB 4.43Å; V221-I223 HydrophobicContact CG1-CD1 3.8Å; V221-I223 HydrophobicContact CG1-CG1 3.87Å; V221-I223 HydrophobicContact CG1-CG2 3.91Å; V221-I223 HydrophobicContact CG2-CG2 4.2Å; V221-I223 PolarHBondContact O-N 3.19Å |
| 224 | E | 91.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 31 Ų | 31 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.3 | 162.2 | -73.8 | 154.3 | -151.9 | 0 | 0 | 108.5 | F106 R107 R109 W171 | F106-E224 CarbonylContact C-O 3.47Å; F106-E224 WeakPolarHBondContact CA-O 3.07Å; F106-E224 VanDerWaalsContact CB-O 3.29Å; F106-E224 WeakPolarHBondContact CB-O 3.22Å; R107-E224 HydrophobicContact CB-CB 4.3Å; R107-E224 IonicContact CZ-OE2 2.75Å; R107-E224 PolarHBondContact N-O 3.36Å; R107-E224 IonicContact NE-OE2 2.71Å; R107-E224 PolarHBondContact NE-OE2 3.44Å; R107-E224 IonicContact NH2-OE1 2.92Å; R107-E224 PolarHBondContact NH2-OE1 3.45Å; R107-E224 IonicContact NH2-OE2 2.83Å; R107-E224 PolarHBondContact NH2-OE2 3.22Å; R107-E224 PolarHBondContact O-N 3.49Å; R109-E224 IonicContact CZ-OE1 3.73Å; R109-E224 IonicContact NE-OE1 2.7Å; R109-E224 PolarHBondContact NE-OE1 3.21Å; R109-E224 IonicContact NH2-OE1 2.73Å; R109-E224 PolarHBondContact NH2-OE1 3.32Å; W171-E224 HydrophobicContact CH2-CB 3.75Å; W171-E224 HydrophobicContact CZ2-CB 4.21Å; W171-E224 HydrophobicContact CZ3-CB 4.45Å; W171-E224 WeakPolarHBondContact CZ3-O 3.16Å |
| 225 | L | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.8 | -178.7 | -176.3 | 66.1 | 0 | 0 | 0 | 108.8 | L65 C76 F77 L79 F106 Q227 L228 | L65-L225 HydrophobicContact CD1-CD2 4.2Å; C76-L225 CarbonylContact C-O 3.43Å; C76-L225 WeakPolarHBondContact CA-O 3.29Å; F77-L225 HydrophobicContact CB-CB 4.45Å; F77-L225 HydrophobicContact CD2-CG 4.42Å; F77-L225 PolarHBondContact N-O 3.08Å; L79-L225 HydrophobicContact CD2-CB 4.16Å; L79-L225 HydrophobicContact CD2-CD2 3.99Å; F106-L225 HydrophobicContact CB-CD1 4.04Å; L225-Q227 WeakPolarHBondContact CD1-O 3.41Å; L225-L228 HydrophobicContact CD1-CB 4.28Å; L225-L228 HydrophobicContact CD2-CB 4.12Å; L225-L228 HydrophobicContact CD2-CD2 4.46Å |
| 226 | H | 90.8 | Very high | 91.5 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 15% | 0.153 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -49.3 | 175.6 | 173.9 | 74.2 | 0 | 0 | 0 | 110.9 | T75 F77 M105 W171 | T75-H226 PolarHBondContact O-ND1 3.5Å; F77-H226 WeakPolarHBondContact CD2-O 3.42Å; F77-H226 WeakPolarHBondContact CE2-O 3.44Å; M105-H226 HydrophobicContact CB-CB 4.19Å; M105-H226 HydrophobicContact CE-CB 3.92Å; M105-H226 HydrophobicContact CG-CB 4.1Å; M105-H226 PolarHBondContact O-N 3.21Å; M105-H226 HydrophobicContact SD-CB 4.34Å; M105-H226 PolarHBondContact SD-CD2 2.91Å; W171-H226 HydrophobicContact CE3-CB 4.16Å; W171-H226 HydrophobicContact CH2-CB 3.95Å; W171-H226 HydrophobicContact CZ3-CB 3.49Å; W171-H226 VanDerWaalsContact CZ3-CB 3.49Å |
| 227 | Q | 90.9 | Very high | 91.1 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.7 | -177.7 | 177.6 | 168.4 | -72.7 | 0 | 0 | 110.1 | A104 M105 L225 K229 E240 | A104-Q227 CarbonylContact C-O 3.56Å; A104-Q227 VanDerWaalsContact CA-O 3.29Å; A104-Q227 WeakPolarHBondContact CA-O 3.49Å; M105-Q227 HydrophobicContact CB-CB 4.11Å; M105-Q227 PolarHBondContact N-O 2.77Å; M105-Q227 PolarHBondContact O-N 2.92Å; L225-Q227 WeakPolarHBondContact CD1-O 3.41Å; Q227-K229 HydrophobicContact CG-CB 4.43Å; Q227-K229 HydrophobicContact CG-CD 3.83Å; Q227-K229 HydrophobicContact CG-CG 3.88Å; Q227-E240 PolarHBondContact NE2-OE1 3.39Å |
| 228 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 101.3 | 163.6 | -178.4 | 62.9 | 0 | 0 | 0 | 108.7 | L59 V102 T103 A104 L119 I211 L225 | L59-L228 HydrophobicContact CB-CB 4.36Å; L59-L228 HydrophobicContact CB-CD2 3.93Å; L59-L228 HydrophobicContact CB-CG 3.95Å; L59-L228 WeakPolarHBondContact CB-O 3.16Å; L59-L228 HydrophobicContact CD1-CD2 3.97Å; L59-L228 HydrophobicContact CD1-CG 4.02Å; L59-L228 HydrophobicContact CG-CD2 4.5Å; L59-L228 HydrophobicContact CG-CG 4.32Å; L59-L228 PolarHBondContact N-O 2.86Å; V102-L228 HydrophobicContact CG1-CD1 4.41Å; T103-L228 WeakPolarHBondContact O-CA 3.4Å; A104-L228 HydrophobicContact CB-CD1 3.68Å; L119-L228 HydrophobicContact CD1-CD1 4.24Å; L119-L228 HydrophobicContact CG-CD1 4.37Å; I211-L228 HydrophobicContact CB-CD2 3.87Å; I211-L228 HydrophobicContact CD1-CD2 4.22Å; I211-L228 HydrophobicContact CG2-CD2 3.64Å; L225-L228 HydrophobicContact CD1-CB 4.28Å; L225-L228 HydrophobicContact CD2-CB 4.12Å; L225-L228 HydrophobicContact CD2-CD2 4.46Å |
| 229 | K | 93.2 | Very high | 89.5 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.5 | -176 | -71.9 | 172.5 | -174.2 | 160.6 | 0 | 110.4 | F57 D58 T103 Q227 Y231 | F57-K229 WeakPolarHBondContact O-CA 3.39Å; D58-K229 HydrophobicContact CB-CG 4.25Å; D58-K229 WeakPolarHBondContact OD2-CE 3.26Å; D58-K229 VanDerWaalsContact OD2-CG 3.32Å; D58-K229 WeakPolarHBondContact OD2-CG 3.38Å; T103-K229 PolarHBondContact N-O 2.75Å; T103-K229 PolarHBondContact O-N 3.04Å; Q227-K229 HydrophobicContact CG-CB 4.43Å; Q227-K229 HydrophobicContact CG-CD 3.83Å; Q227-K229 HydrophobicContact CG-CG 3.88Å; K229-Y231 HydrophobicContact CB-CD2 4.3Å; K229-Y231 HydrophobicContact CB-CE2 3.56Å; K229-Y231 HydrophobicContact CD-CE2 4.48Å; K229-Y231 WeakPolarHBondContact CD-OH 3.34Å |
| 230 | I | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.8 | 168.4 | -57.1 | -167.9 | 0 | 0 | 0 | 107.6 | G56 F57 L59 F92 L96 Y100 S101 V102 W120 | G56-I230 CarbonylContact C-O 3.54Å; G56-I230 WeakPolarHBondContact CA-O 3.44Å; F57-I230 PolarHBondContact N-O 3.45Å; F57-I230 PolarHBondContact O-N 2.83Å; L59-I230 HydrophobicContact CD1-CD1 4.04Å; L59-I230 HydrophobicContact CD1-CG1 4.16Å; L59-I230 HydrophobicContact CG-CG1 4.44Å; F92-I230 HydrophobicContact CE1-CD1 3.98Å; F92-I230 HydrophobicContact CZ-CD1 3.8Å; L96-I230 HydrophobicContact CD2-CG2 4Å; Y100-I230 HydrophobicContact CD2-CG2 4.01Å; S101-I230 CarbonylContact O-C 3.58Å; S101-I230 VanDerWaalsContact O-CA 3.31Å; S101-I230 WeakPolarHBondContact O-CA 3.34Å; V102-I230 HydrophobicContact CG1-CG1 4.25Å; V102-I230 HydrophobicContact CG2-CD1 4.24Å; V102-I230 HydrophobicContact CG2-CG1 4.07Å; V102-I230 HydrophobicContact CG2-CG2 4.36Å; W120-I230 HydrophobicContact CD2-CD1 4.03Å; W120-I230 HydrophobicContact CE3-CD1 3.97Å; W120-I230 HydrophobicContact CH2-CD1 3.56Å; W120-I230 HydrophobicContact CZ2-CD1 3.59Å; W120-I230 HydrophobicContact CZ3-CD1 3.76Å |
| 231 | Y | 93.2 | Very high | 88 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 138.3 | 180 | -60.6 | -103.3 | 0 | 0 | 0 | 109.4 | L37 V54 Y100 S101 T103 K229 S233 E240 | L37-Y231 HydrophobicContact CD1-CD1 4.06Å; L37-Y231 HydrophobicContact CD1-CE1 4.05Å; V54-Y231 HydrophobicContact CG1-CD1 3.47Å; V54-Y231 VanDerWaalsContact CG1-CD1 3.47Å; V54-Y231 HydrophobicContact CG1-CE1 3.81Å; Y100-Y231 CarbonylContact C-O 3.59Å; Y100-Y231 WeakPolarHBondContact CA-O 3.24Å; Y100-Y231 WeakPolarHBondContact CB-O 3.43Å; S101-Y231 PolarHBondContact N-O 3.41Å; S101-Y231 PolarHBondContact O-N 3.07Å; T103-Y231 WeakPolarHBondContact OG1-CE2 3.05Å; K229-Y231 HydrophobicContact CB-CD2 4.3Å; K229-Y231 HydrophobicContact CB-CE2 3.56Å; K229-Y231 HydrophobicContact CD-CE2 4.48Å; K229-Y231 WeakPolarHBondContact CD-OH 3.34Å; Y231-S233 PolarHBondContact O-N 3.3Å; Y231-S233 VanDerWaalsContact O-N 3.11Å; Y231-E240 HydrophobicContact CE2-CG 4.16Å; Y231-E240 PolarHBondContact OH-OE1 2.84Å; Y231-E240 PolarHBondContact OH-OE2 3Å |
| 232 | C | 91.4 | Very high | 87.1 | Confident | 22 Ų | 22 | 24.6 Ų | 24.6 | 15% | 0.149 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -82.7 | 23.3 | 178.4 | -68.4 | 0 | 0 | 0 | 0 | 114 | C34 S55 P97 | C34-C232 HydrophobicContact CB-CB 3.56Å; C34-C232 WeakPolarHBondContact CB-SG 3.18Å; C34-C232 WeakPolarHBondContact SG-CB 3.3Å; C34-C232 CovalentContact SG-SG 2.01Å; C34-C232 PolarHBondContact SG-SG 2.76Å; S55-C232 PolarHBondContact O-N 3.02Å; P97-C232 HydrophobicContact CG-CB 3.87Å |
| 233 | S | 88.9 | Confident | 85.8 | Confident | 41 Ų | 41 | 23 Ų | 23 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | trans | -132.3 | 133.6 | 165.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | S101 Y231 N235 | S101-S233 PolarHBondContact OG-O 2.8Å; Y231-S233 PolarHBondContact O-N 3.3Å; Y231-S233 VanDerWaalsContact O-N 3.11Å; S233-N235 VanDerWaalsContact C-N 3.26Å; S233-N235 PolarHBondContact O-N 3.44Å; S233-N235 PolarHBondContact OG-N 2.7Å | ||
| 234 | A | 89.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -74.8 | -15 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E99 S177 I178 Q179 | E99-A234 HydrophobicContact CB-CB 4.07Å; S177-A234 WeakPolarHBondContact CB-O 3.49Å; S177-A234 PolarHBondContact OG-O 3.38Å; I178-A234 WeakPolarHBondContact O-CB 3.25Å; Q179-A234 HydrophobicContact CG-CB 3.6Å |
| 235 | N | 83.4 | Confident | 82.3 | Confident | 110 Ų | 110 | 29.7 Ų | 29.7 | 59% | 0.588 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -92.5 | -25.9 | -167.5 | -63.2 | -24 | 0 | 0 | 0 | 113.9 | Q179 S233 I237 | Q179-N235 PolarHBondContact NE2-OD1 2.98Å; Q179-N235 VanDerWaalsContact NE2-OD1 3.13Å; S233-N235 VanDerWaalsContact C-N 3.26Å; S233-N235 PolarHBondContact O-N 3.44Å; S233-N235 PolarHBondContact OG-N 2.7Å; N235-I237 PolarHBondContact O-N 2.84Å |
| 236 | L | 78.7 | Confident | 79.8 | Confident | 45 Ų | 45 | 33.2 Ų | 33.2 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.4 | -177.7 | -64.2 | 174.4 | 0 | 0 | 0 | 114 | V54 A238 Q239 E240 | V54-L236 HydrophobicContact CG1-CD1 3.92Å; V54-L236 HydrophobicContact CG2-CD1 4.19Å; L236-A238 VanDerWaalsContact C-N 3.3Å; L236-A238 PolarHBondContact O-N 3.05Å; L236-Q239 PolarHBondContact O-N 3.28Å; L236-E240 WeakPolarHBondContact O-CB 3.43Å; L236-E240 PolarHBondContact O-N 2.88Å |
| 237 | I | 83.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -32.4 | -168.2 | -159.1 | 56 | 0 | 0 | 0 | 114 | T103 Y186 N235 T241 | T103-I237 WeakPolarHBondContact OG1-CD1 3.45Å; Y186-I237 HydrophobicContact CD2-CG1 4.33Å; Y186-I237 HydrophobicContact CD2-CG2 3.56Å; Y186-I237 HydrophobicContact CE2-CG2 3.4Å; Y186-I237 VanDerWaalsContact CE2-CG2 3.4Å; Y186-I237 HydrophobicContact CG-CG2 4.32Å; N235-I237 PolarHBondContact O-N 2.84Å; I237-T241 HydrophobicContact CD1-CG2 4.09Å; I237-T241 HydrophobicContact CG1-CG2 4.19Å; I237-T241 WeakPolarHBondContact O-CB 3.36Å; I237-T241 WeakPolarHBondContact O-CG2 3.35Å; I237-T241 PolarHBondContact O-N 2.86Å; I237-T241 PolarHBondContact O-OG1 3.24Å |
| 238 | A | 75.9 | Confident | 74.3 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.3 | -41.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y186 L236 T241 C242 | Y186-A238 HydrophobicContact CD1-CB 4.49Å; Y186-A238 HydrophobicContact CE1-CB 3.9Å; L236-A238 VanDerWaalsContact C-N 3.3Å; L236-A238 PolarHBondContact O-N 3.05Å; A238-T241 PolarHBondContact O-OG1 2.87Å; A238-C242 PolarHBondContact O-N 3.11Å |
| 239 | Q | 72.6 | Confident | 71.4 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.5 | -46.3 | 174.6 | -167.9 | 172.2 | 14.2 | 0 | 0 | 110.7 | L44 L236 T241 C242 C243 | L44-Q239 VanDerWaalsContact CD2-CD 3.45Å; L44-Q239 HydrophobicContact CD2-CG 4.05Å; L236-Q239 PolarHBondContact O-N 3.28Å; Q239-T241 PolarHBondContact O-N 2.85Å; Q239-C242 WeakPolarHBondContact O-CB 3.41Å; Q239-C242 PolarHBondContact O-N 2.94Å; Q239-C242 VanDerWaalsContact O-N 3.08Å; Q239-C243 PolarHBondContact O-N 2.67Å; Q239-C243 VanDerWaalsContact O-N 3.1Å; Q239-C243 PolarHBondContact O-SG 3.47Å |
| 240 | E | 79.9 | Confident | 68.6 | Low | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 177.8 | 173.1 | 65.9 | -135.6 | 0 | 0 | 112.5 | T103 K173 Q227 Y231 L236 C242 | T103-E240 HydrophobicContact CG2-CG 3.86Å; T103-E240 WeakPolarHBondContact OG1-CG 3.25Å; K173-E240 WeakPolarHBondContact CD-O 3.28Å; K173-E240 WeakPolarHBondContact CE-O 3.38Å; K173-E240 WeakPolarHBondContact CE-OE1 3.3Å; K173-E240 PolarHBondContact NZ-O 3.02Å; K173-E240 IonicContact NZ-OE1 3.34Å; K173-E240 PolarHBondContact NZ-OE1 2.85Å; Q227-E240 PolarHBondContact NE2-OE1 3.39Å; Y231-E240 HydrophobicContact CE2-CG 4.16Å; Y231-E240 PolarHBondContact OH-OE1 2.84Å; Y231-E240 PolarHBondContact OH-OE2 3Å; L236-E240 WeakPolarHBondContact O-CB 3.43Å; L236-E240 PolarHBondContact O-N 2.88Å; E240-C242 VanDerWaalsContact C-N 3.25Å; E240-C242 PolarHBondContact O-N 3.01Å |
| 241 | T | 79.6 | Confident | 65.7 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.6 | -10.4 | 177 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | C189 I237 A238 Q239 | C189-T241 PolarHBondContact N-O 3.11Å; I237-T241 HydrophobicContact CD1-CG2 4.09Å; I237-T241 HydrophobicContact CG1-CG2 4.19Å; I237-T241 WeakPolarHBondContact O-CB 3.36Å; I237-T241 WeakPolarHBondContact O-CG2 3.35Å; I237-T241 PolarHBondContact O-N 2.86Å; I237-T241 PolarHBondContact O-OG1 3.24Å; A238-T241 PolarHBondContact O-OG1 2.87Å; Q239-T241 PolarHBondContact O-N 2.85Å |
| 242 | C | 76.3 | Confident | 62.8 | Low | 32 Ų | 32 | 66 Ų | 66 | 22% | 0.216 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -87.5 | -39.3 | 170.8 | -88.6 | 0 | 0 | 0 | 0 | 113.3 | C189 A238 Q239 E240 | C189-C242 WeakPolarHBondContact CA-SG 3.31Å; C189-C242 HydrophobicContact CB-CB 4.29Å; C189-C242 WeakPolarHBondContact CB-SG 3.37Å; C189-C242 WeakPolarHBondContact SG-CA 3.26Å; C189-C242 WeakPolarHBondContact SG-CB 3.44Å; C189-C242 CovalentContact SG-SG 2.04Å; C189-C242 PolarHBondContact SG-SG 3.36Å; A238-C242 PolarHBondContact O-N 3.11Å; Q239-C242 WeakPolarHBondContact O-CB 3.41Å; Q239-C242 PolarHBondContact O-N 2.94Å; Q239-C242 VanDerWaalsContact O-N 3.08Å; E240-C242 VanDerWaalsContact C-N 3.25Å; E240-C242 PolarHBondContact O-N 3.01Å |
| 243 | C | 64.5 | Low | 60 | Low | 12 Ų | 12 | 73.5 Ų | 73.5 | 8% | 0.081 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 137.8 | -173.3 | -55.2 | 0 | 0 | 0 | 0 | 112 | K173 Q239 C250 | K173-C243 PolarHBondContact NZ-O 2.72Å; Q239-C243 PolarHBondContact O-N 2.67Å; Q239-C243 VanDerWaalsContact O-N 3.1Å; Q239-C243 PolarHBondContact O-SG 3.47Å; C243-C250 WeakPolarHBondContact CA-SG 3.43Å; C243-C250 WeakPolarHBondContact CB-SG 3.23Å; C243-C250 WeakPolarHBondContact SG-CB 3.39Å; C243-C250 CovalentContact SG-SG 2.04Å; C243-C250 PolarHBondContact SG-SG 2.86Å |
| 244 | E | 61.6 | Low | 57.2 | Low | 69 Ų | 69 | 79.4 Ų | 79.4 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 23.2 | 179.9 | -52.1 | -168 | 127.3 | 0 | 0 | 120.1 | Q43 K74 K173 | Q43-E244 PolarHBondContact NE2-OE1 2.8Å; Q43-E244 PolarHBondContact NE2-OE2 2.93Å; Q43-E244 VanDerWaalsContact NE2-OE2 3.16Å; K74-E244 PolarHBondContact NZ-O 3.34Å; K173-E244 IonicContact NZ-OE2 2.9Å |
| 245 | I | 51.7 | Low | 54.4 | Low | 102 Ų | 102 | 82.9 Ų | 82.9 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -91.1 | -22.3 | 165 | -57.3 | -175 | 0 | 0 | 0 | 111.9 | D188 | D188-I245 HydrophobicContact CB-CD1 3.59Š|
| 246 | S | 40 | Very low | 51.8 | Low | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -154.8 | 163.3 | 168.4 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | T248 | S246-T248 PolarHBondContact O-N 2.87Å; S246-T248 PolarHBondContact OG-OG1 2.84Å |
| 247 | D | 35.4 | Very low | 49.4 | Very low | 181 Ų | 181 | 89 Ų | 89 | 97% | 0.968 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -72.7 | 30.6 | -177.9 | -56.8 | -66.7 | 0 | 0 | 0 | 114.9 | ||
| 248 | T | 32.5 | Very low | 46.8 | Very low | 101 Ų | 101 | 96.8 Ų | 96.8 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -116.4 | 129.9 | -176.2 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | S246 | S246-T248 PolarHBondContact O-N 2.87Å; S246-T248 PolarHBondContact OG-OG1 2.84Å |
| 249 | K | 32.8 | Very low | 44.5 | Very low | 193 Ų | 193 | 103.2 Ų | 103.2 | 84% | 0.839 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 138.7 | -178.2 | -78.9 | -169.1 | 171.7 | -167.6 | 0 | 112.1 | ||
| 250 | C | 34.3 | Very low | 42.4 | Very low | 35 Ų | 35 | 104.3 Ų | 104.3 | 24% | 0.236 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -65.6 | 134.5 | 175 | -56.3 | 0 | 0 | 0 | 0 | 110 | C243 | C243-C250 WeakPolarHBondContact CA-SG 3.43Å; C243-C250 WeakPolarHBondContact CB-SG 3.23Å; C243-C250 WeakPolarHBondContact SG-CB 3.39Å; C243-C250 CovalentContact SG-SG 2.04Å; C243-C250 PolarHBondContact SG-SG 2.86Å |
| 251 | P | 34.4 | Very low | 39.9 | Very low | 117 Ų | 117 | 109.4 Ų | 109.4 | 76% | 0.76 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 135.1 | -177.2 | 29.4 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 252 | E | 32.4 | Very low | 37.4 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 62% | 0.617 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 147.4 | 174.9 | -62.5 | 178.3 | 152.5 | 0 | 0 | 110.7 | ||
| 253 | Q | 32.2 | Very low | 35 | Very low | 179 Ų | 179 | 118.1 Ų | 118.1 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | trans | -123.1 | 121.1 | 167.9 | -76.1 | -167.7 | -23.8 | 0 | 0 | 109.3 | ||||
| 254 | D | 29.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 124 Ų | 124 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.9 | 167.2 | -87.8 | -52.5 | 0 | 0 | 0 | 110.8 | ||
| 255 | G | 31.4 | Very low | 31.3 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 137.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 256 | F | 29.1 | Very low | 30 | Very low | 218 Ų | 218 | 125.7 Ų | 125.7 | 96% | 0.956 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 125.1 | 161.3 | -97.5 | -96.4 | 0 | 0 | 0 | 110.5 | ||
| 257 | G | 27.4 | Very low | 29.2 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -82.2 | 175.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 258 | N | 28.8 | Very low | 28.7 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135 | -179.1 | -54.2 | -52 | 0 | 0 | 0 | 113 | ||
| 259 | I | 27.3 | Very low | 28.5 | Very low | 175 Ų | 175 | 127 Ų | 127 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 119.8 | 153.2 | -63.1 | 178.9 | 0 | 0 | 0 | 106.6 | ||
| 260 | A | 29 | Very low | 28.2 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 146.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 261 | S | 26.7 | Very low | 27.8 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 131.8 | 151 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 262 | S | 27.7 | Very low | 27.3 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 153.4 | 166.9 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 263 | S | 25.7 | Very low | 26.9 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -172.8 | 159 | 0.8 | 39.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 264 | V | 24.9 | Very low | 26.6 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 174.8 | 152.4 | 130.3 | 149 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 265 | T | 23.3 | Very low | 26.4 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -59.8 | 161.7 | 178.8 | -0.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 266 | A | 25 | Very low | 27 | Very low | 76 Ų | 76 | 133 Ų | 133 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | cis | -157.5 | 176.8 | 13.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 267 | H | 24 | Very low | 26.8 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 14.1 | 137.5 | 152.8 | -59 | -58.6 | 0 | 0 | 0 | 120.6 | ||||
| 268 | A | 25.4 | Very low | 26.8 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | cis | -159 | -171.2 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 269 | S | 28 | Very low | 26.7 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -146.8 | 163.7 | 18.5 | -80.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 270 | K | 25.8 | Very low | 26.7 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | 49.2 | 126.9 | 70.9 | -94.3 | -166.4 | 177.2 | -177.2 | 0 | 114.9 | |||||
| 271 | M | 24.9 | Very low | 26.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -168.4 | 151.5 | 3.6 | -158.2 | 165.3 | 171.3 | 0 | 0 | 112.6 | ||||
| 272 | S | 24 | Very low | 26.5 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 67.3 | 156.2 | 152.1 | -84 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 273 | S | 24 | Very low | 26.5 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 58% | 0.58 | 76% | 0.76 | S | S | * | * | cis | -171.8 | 167.2 | -4.6 | 39 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 274 | Y | 26 | Very low | 26.5 | Very low | 222 Ų | 222 | 138.7 Ų | 138.7 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | 98.6 | 153.2 | 160.3 | -62.8 | -67 | 0 | 0 | 0 | 119.9 | ||||
| 275 | L | 25.5 | Very low | 26.5 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -139.4 | 169.7 | -159.6 | -85.9 | 173.3 | 0 | 0 | 0 | 111.2 | ||||
| 276 | P | 45.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -110.1 | 178 | -152.5 | 42.1 | -38.3 | 0 | 0 | 0 | 116.7 | ||||
| 277 | A | 25.1 | Very low | 26.7 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -130.5 | 131.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 278 | K | 27.7 | Very low | 26.9 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | cis | 90.1 | 109.9 | 42.3 | -165.7 | -160.9 | -176.3 | -161.5 | 0 | 113 | E280 | K278-E280 WeakPolarHBondContact CE-OE2 3.48Å; K278-E280 IonicContact NZ-OE2 2.92Å; K278-E280 PolarHBondContact NZ-OE2 2.89Å | ||
| 279 | Q | 25.1 | Very low | 27.6 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -155 | 143.9 | 140.4 | -158.4 | 74.8 | 11.2 | 0 | 0 | 108.8 | ||||
| 280 | E | 28.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | trans | -97.9 | 154.7 | 178.6 | -63.7 | 152.3 | 70.1 | 0 | 0 | 111 | K278 | K278-E280 WeakPolarHBondContact CE-OE2 3.48Å; K278-E280 IonicContact NZ-OE2 2.92Å; K278-E280 PolarHBondContact NZ-OE2 2.89Å | ||
| 281 | L | 26.1 | Very low | 28.1 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | trans | -142 | 159.5 | 139.3 | -143.6 | 73.9 | 0 | 0 | 0 | 110 | ||||
| 282 | K | 25.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | -142.7 | 162.8 | -154 | -173 | -170.1 | 168 | -167.2 | 0 | 110.5 | ||||
| 283 | D | 28 | Very low | 29.4 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 120.8 | 92.3 | 163.5 | -63.7 | -12 | 0 | 0 | 0 | 110.6 | ||||
| 284 | Q | 24.9 | Very low | 30.1 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 58% | 0.575 | 78% | 0.782 | S | S | * | * | 78.7 | 88.2 | 54 | -165.4 | 176.5 | -11.2 | 0 | 0 | 114 | |||||
| 285 | C | 26.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 138 Ų | 138 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | trans | -136.8 | 141.5 | 134.2 | -96.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 286 | Q | 27.1 | Very low | 31.7 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 66% | 0.659 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -103 | 137.8 | -166.9 | -68.1 | 149.1 | -92.9 | 0 | 0 | 111.4 | ||
| 287 | C | 24.8 | Very low | 31.8 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -101 | 122.7 | 140.8 | -79.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 288 | I | 28.5 | Very low | 32.7 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 133.2 | -179.6 | -67.7 | 171.2 | 0 | 0 | 0 | 108.2 | N290 | I288-N290 PolarHBondContact O-N 2.92Š|
| 289 | P | 38.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.2 | 171.6 | 27.2 | -33.3 | 0 | 0 | 0 | 108.7 | K291 | P289-K291 PolarHBondContact O-N 2.77Š|
| 290 | N | 30.9 | Very low | 34.9 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 83.7 | 162.6 | -90.5 | -23.7 | 0 | 0 | 0 | 108.4 | I288 G292 | I288-N290 PolarHBondContact O-N 2.92Å; N290-G292 PolarHBondContact O-N 3.01Å | ||
| 291 | K | 34.5 | Very low | 35.6 | Very low | 194 Ų | 194 | 129.4 Ų | 129.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 14.8 | 97.8 | 144.6 | -174.7 | -179.6 | -177.2 | -179.4 | 0 | 112.2 | P289 | P289-K291 PolarHBondContact O-N 2.77Š| ||
| 292 | G | 41.5 | Very low | 36.6 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 145.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N290 A294 | N290-G292 PolarHBondContact O-N 3.01Å; G292-A294 PolarHBondContact O-N 2.85Å |
| 293 | E | 34.2 | Very low | 38.3 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53 | 133.7 | 168.2 | -64 | -172.2 | 142.3 | 0 | 0 | 108.2 | G295 | E293-G295 PolarHBondContact O-N 2.95Å; E293-G295 VanDerWaalsContact O-N 3.17Å |
| 294 | A | 38 | Very low | 39.1 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | G292 F296 | G292-A294 PolarHBondContact O-N 2.85Å; A294-F296 PolarHBondContact O-N 2.7Å |
| 295 | G | 47.7 | Very low | 40.3 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 139.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E293 | E293-G295 PolarHBondContact O-N 2.95Å; E293-G295 VanDerWaalsContact O-N 3.17Å |
| 296 | F | 38.8 | Very low | 41.6 | Very low | 200 Ų | 200 | 126.8 Ų | 126.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -45.1 | 131.4 | 177.9 | -72.7 | -90 | 0 | 0 | 0 | 109.7 | A294 G298 | A294-F296 PolarHBondContact O-N 2.7Å; F296-G298 PolarHBondContact O-N 3.42Å; F296-G298 VanDerWaalsContact O-N 3.14Å | ||
| 297 | P | 46.8 | Very low | 42.5 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.6 | 177.3 | 23.6 | -33 | 0 | 0 | 0 | 108.1 | A299 | P297-A299 PolarHBondContact O-N 2.88Š|
| 298 | G | 44.5 | Very low | 43.5 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F296 | F296-G298 PolarHBondContact O-N 3.42Å; F296-G298 VanDerWaalsContact O-N 3.14Å |
| 299 | A | 43.3 | Very low | 44.7 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 132.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | P297 G301 | P297-A299 PolarHBondContact O-N 2.88Å; A299-G301 PolarHBondContact O-N 2.69Å |
| 300 | P | 54 | Low | 44.9 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 128.8 | 179.4 | -27.7 | 35 | 0 | 0 | 0 | 110.1 | S302 | P300-S302 PolarHBondContact O-N 3.26Š|
| 301 | G | 43.2 | Very low | 45.3 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 128.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A299 | A299-G301 PolarHBondContact O-N 2.69Š|
| 302 | S | 47.5 | Very low | 46.1 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 136.5 | 172.1 | 54.5 | 0 | 0 | 0 | 0 | 109 | P300 G304 | P300-S302 PolarHBondContact O-N 3.26Å; S302-G304 PolarHBondContact O-N 2.76Å |
| 303 | P | 61.1 | Low | 46 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 129.7 | 175.7 | -28.4 | 35.3 | 0 | 0 | 0 | 110.5 | Q305 | P303-Q305 PolarHBondContact O-N 2.04Š|
| 304 | G | 45.2 | Very low | 47 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 130.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S302 K306 | S302-G304 PolarHBondContact O-N 2.76Å; G304-K306 PolarHBondContact O-N 3.41Å |
| 305 | Q | 49.2 | Very low | 47 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126 | 177.6 | -73.5 | -176.5 | -7.4 | 0 | 0 | 108.8 | P303 G307 | P303-Q305 PolarHBondContact O-N 2.04Å; Q305-G307 PolarHBondContact O-N 3.1Å |
| 306 | K | 53.8 | Low | 46.3 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -61.3 | 108.3 | 172.1 | 178.1 | -178.3 | 178.8 | -179.7 | 0 | 106.7 | G304 | G304-K306 PolarHBondContact O-N 3.41Š| ||
| 307 | G | 46.3 | Very low | 46.8 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -48.8 | 139.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q305 K309 | Q305-G307 PolarHBondContact O-N 3.1Å; G307-K309 PolarHBondContact O-N 3.08Å | ||
| 308 | D | 45.8 | Very low | 46.4 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -55.6 | 130.8 | -171.8 | -63.7 | -69.2 | 0 | 0 | 0 | 111.8 | G310 | D308-G310 PolarHBondContact O-N 3.28Š| ||
| 309 | K | 53.1 | Low | 46 | Very low | 203 Ų | 203 | 128.3 Ų | 128.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -69 | 108.2 | 172.5 | -176.4 | -173.5 | 175.8 | -171.1 | 0 | 106.9 | G307 | G307-K309 PolarHBondContact O-N 3.08Š| ||
| 310 | G | 42.8 | Very low | 46.3 | Very low | 61 Ų | 61 | 129 Ų | 129 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | -46.9 | 143.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D308 | D308-G310 PolarHBondContact O-N 3.28Š| ||
| 311 | E | 39.3 | Very low | 45.9 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -56.2 | 126.2 | -174.7 | -60.9 | 179.2 | 139.3 | 0 | 0 | 111.6 | G313 | E311-G313 PolarHBondContact O-N 3.33Š| ||
| 312 | P | 52.7 | Low | 45.5 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -64.3 | 105.8 | 160 | -15.5 | 30.7 | 0 | 0 | 0 | 107.7 | ||||
| 313 | G | 39.8 | Very low | 45.6 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -60.8 | 156.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E311 N315 | E311-G313 PolarHBondContact O-N 3.33Å; G313-N315 PolarHBondContact O-N 3.35Å | ||
| 314 | E | 54.8 | Low | 44.6 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -55 | 129.3 | -176.1 | -65.1 | -175 | 102.3 | 0 | 0 | 113.6 | ||||
| 315 | N | 37.2 | Very low | 44.8 | Very low | 173 Ų | 173 | 132 Ų | 132 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -173.6 | 133.7 | 146.4 | -92.7 | -59.4 | 0 | 0 | 0 | 106.9 | G313 | G313-N315 PolarHBondContact O-N 3.35Š| ||
| 316 | G | 33.2 | Very low | 44.4 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | cis | -174 | 167.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 317 | L | 50.4 | Low | 43.6 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -49 | 137.8 | -179.8 | -68.6 | 162 | 0 | 0 | 0 | 113.3 | ||||
| 318 | H | 37.6 | Very low | 43.7 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -142.2 | 131.3 | 139.8 | -105.3 | 48.3 | 0 | 0 | 0 | 109.4 | ||||
| 319 | G | 35.7 | Very low | 43.3 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -87.9 | 176.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | P321 | G319-P321 WeakPolarHBondContact O-CD 3.48Š| ||
| 320 | A | 49.4 | Very low | 42.6 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | -68.9 | 136.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 321 | P | 46.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -107.2 | 156.7 | 123 | -3 | 22.6 | 0 | 0 | 0 | 109.4 | G319 | G319-P321 WeakPolarHBondContact O-CD 3.48Š| |||
| 322 | G | 35.3 | Very low | 43.2 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | cis | 157.6 | 121.2 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P324 | G322-P324 WeakPolarHBondContact O-CD 3.49Š| ||
| 323 | L | 48.6 | Very low | 42.5 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -66.1 | 132.4 | -170.8 | -66.7 | 167.1 | 0 | 0 | 0 | 111.8 | ||||
| 324 | P | 40.3 | Very low | 43.1 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -126.6 | 140.6 | 118.5 | 5.6 | 15.1 | 0 | 0 | 0 | 111.5 | G322 | G322-P324 WeakPolarHBondContact O-CD 3.49Š| |||
| 325 | G | 49.2 | Very low | 42.5 | Very low | 62 Ų | 62 | 124.8 Ų | 124.8 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | -122.5 | -157.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 326 | Q | 41.1 | Very low | 42.7 | Very low | 193 Ų | 193 | 125.5 Ų | 125.5 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 147 | -167.3 | -47.9 | -175.4 | 16.9 | 0 | 0 | 112 | ||||
| 327 | K | 37.5 | Very low | 43.5 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | cis | -125.1 | 159.4 | 12.6 | -146.1 | -174.7 | -178.2 | -128.8 | 0 | 107.9 | E329 | K327-E329 WeakPolarHBondContact CE-OE1 3.29Å; K327-E329 IonicContact NZ-OE1 3.44Å; K327-E329 PolarHBondContact NZ-OE1 3Å; K327-E329 IonicContact NZ-OE2 3.89Å; K327-E329 PolarHBondContact NZ-OE2 2.85Å | ||
| 328 | G | 46.8 | Very low | 43.5 | Very low | 57 Ų | 57 | 125.4 Ų | 125.4 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | 55 | 117.5 | 57.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 329 | E | 37.4 | Very low | 43.7 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -136.3 | -177.7 | 36.8 | -92.5 | 93.1 | -120.8 | 0 | 0 | 109.8 | K327 | K327-E329 WeakPolarHBondContact CE-OE1 3.29Å; K327-E329 IonicContact NZ-OE1 3.44Å; K327-E329 PolarHBondContact NZ-OE1 3Å; K327-E329 IonicContact NZ-OE2 3.89Å; K327-E329 PolarHBondContact NZ-OE2 2.85Å | ||
| 330 | Q | 39.6 | Very low | 44.3 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -142.5 | 118.1 | 21.2 | -173.2 | 173.3 | -10.6 | 0 | 0 | 112.3 | F332 | Q330-F332 PolarHBondContact NE2-O 2.81Š| ||
| 331 | G | 44.9 | Very low | 44.5 | Very low | 51 Ų | 51 | 126.6 Ų | 126.6 | 53% | 0.526 | 75% | 0.75 | S | S | . | * | trans | -84.4 | 156.1 | 145 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 332 | F | 49.4 | Very low | 44.3 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 68 | 113.4 | 173 | -38.7 | -76.7 | 0 | 0 | 0 | 115.6 | Q330 | Q330-F332 PolarHBondContact NE2-O 2.81Š| ||
| 333 | E | 38.4 | Very low | 44.5 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | -121.4 | 140.5 | 94.5 | -170.1 | 166.9 | -171.3 | 0 | 0 | 108.9 | S335 | E333-S335 WeakPolarHBondContact OE1-CB 3.29Å; E333-S335 PolarHBondContact OE1-OG 2.76Å | |||
| 334 | G | 52.3 | Low | 44.8 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -129.5 | 86.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 335 | S | 41.8 | Very low | 44.9 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | trans | -129.8 | 116.8 | -172.3 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | E333 | E333-S335 WeakPolarHBondContact OE1-CB 3.29Å; E333-S335 PolarHBondContact OE1-OG 2.76Å | ||
| 336 | K | 41.4 | Very low | 44.7 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 44.2 | 97.1 | 143.2 | -164.5 | -177.1 | -176.1 | -173.1 | 0 | 117.4 | ||||
| 337 | G | 50.9 | Low | 45.2 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -77.6 | 147 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 338 | E | 48.6 | Very low | 45.3 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -172.9 | 155.8 | 149.3 | -111.1 | 172 | 171.6 | 0 | 0 | 111.3 | ||||
| 339 | T | 42.5 | Very low | 44.9 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 68.9 | 97.3 | 160.8 | -46 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 340 | G | 48.1 | Very low | 45.5 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | 72 | 103.7 | 102 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 341 | E | 53.7 | Low | 45.9 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 64.6 | 162 | 141.4 | -65.8 | -159.5 | 127.4 | 0 | 0 | 123.5 | ||||
| 342 | K | 42.9 | Very low | 45.4 | Very low | 215 Ų | 215 | 139.3 Ų | 139.3 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | 80.9 | 133.7 | 162.6 | -156.7 | 176.4 | -174.3 | 176.8 | 0 | 117.5 | ||||
| 343 | G | 39.4 | Very low | 45.8 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | cis | 173.1 | 142.7 | -10.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 344 | E | 54.3 | Low | 46 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | 38.3 | 146.7 | 154.8 | -58.5 | -174.2 | 145.6 | 0 | 0 | 124.6 | ||||
| 345 | Q | 43.5 | Very low | 45.2 | Very low | 202 Ų | 202 | 136 Ų | 136 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | 152.7 | 136.7 | 129.6 | -170.7 | 169 | 33.7 | 0 | 0 | 111.7 | |||||
| 346 | G | 44.2 | Very low | 45.4 | Very low | 65 Ų | 65 | 140.3 Ų | 140.3 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | cis | -175.8 | 135.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 347 | E | 51.5 | Low | 45.1 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | 37.5 | 137 | 145.5 | -54.1 | -164.8 | 126.3 | 0 | 0 | 125.4 | ||||
| 348 | K | 40.5 | Very low | 44.5 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | 174 | 134 | 114.6 | -174.1 | 170 | -170.3 | 172.1 | 0 | 110.9 | |||||
| 349 | G | 36.4 | Very low | 44 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 83% | 0.832 | S | S | * | * | cis | 175.4 | 148.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 350 | D | 51.4 | Low | 43.8 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -79.7 | 152.9 | -167.9 | -56.2 | -78.4 | 0 | 0 | 0 | 116 | ||||
| 351 | P | 47.9 | Very low | 43.1 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | -143.9 | 159.7 | 107.5 | 38 | -25 | 0 | 0 | 0 | 113.9 | |||||
| 352 | G | 34.7 | Very low | 43 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | cis | -178.3 | 172.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 353 | L | 57.1 | Low | 43 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 97% | 0.974 | 84% | 0.839 | S | S | * | * | trans | -114.8 | 127.6 | -167.8 | -76.5 | 169 | 0 | 0 | 0 | 115.7 | ||||
| 354 | A | 42.8 | Very low | 43.1 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | trans | -167.5 | 150.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 355 | G | 35.2 | Very low | 43 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | cis | -152.4 | -159.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 356 | L | 46.6 | Very low | 42.7 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -121.4 | 166.1 | -159.6 | -72.6 | 168.4 | 0 | 0 | 0 | 116.1 | ||||
| 357 | N | 35.2 | Very low | 42.8 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 81.1 | 143.1 | 154.7 | -75.1 | 10.1 | 0 | 0 | 0 | 122 | ||||
| 358 | G | 37 | Very low | 42.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | 166.1 | 108.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 359 | E | 39.8 | Very low | 43.1 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | trans | -103.9 | 161.7 | -173 | -59.6 | -177.5 | 129.1 | 0 | 0 | 114 | ||||
| 360 | N | 37 | Very low | 43.4 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | 70.1 | 155.7 | 167.2 | -51.7 | -61.9 | 0 | 0 | 0 | 116.1 | ||||
| 361 | G | 33.1 | Very low | 42.9 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | cis | -168.6 | -179.7 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 362 | L | 52.3 | Low | 43.6 | Very low | 180 Ų | 180 | 137 Ų | 137 | 94% | 0.942 | 84% | 0.838 | S | S | * | * | trans | -79.2 | 137.5 | -165.7 | -65.4 | 162.7 | 0 | 0 | 0 | 116.5 | ||||
| 363 | K | 42.7 | Very low | 44 | Very low | 217 Ų | 217 | 136.6 Ų | 136.6 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | trans | -173 | 136.3 | 144.8 | -119.4 | 173.4 | 179.8 | 175 | 0 | 111.2 | ||||
| 364 | G | 42.1 | Very low | 43.8 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | cis | 172.8 | 145.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 365 | D | 51.2 | Low | 44.5 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | -73.5 | 131.6 | -176.4 | -61.1 | -71.3 | 0 | 0 | 0 | 113.6 | ||||
| 366 | L | 38.8 | Very low | 45.1 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | trans | 178.2 | 128.9 | 162.1 | -102.1 | 155.6 | 0 | 0 | 0 | 108.3 | ||||
| 367 | G | 44.8 | Very low | 45.4 | Very low | 56 Ų | 56 | 141.1 Ų | 141.1 | 58% | 0.577 | 84% | 0.837 | S | S | * | * | cis | -166 | 175.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R369 | G367-R369 PolarHBondContact O-N 3.24Š| ||
| 368 | P | 52.8 | Low | 46.3 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 94% | 0.942 | 84% | 0.839 | S | S | * | * | trans | -69.9 | 121.4 | -172.7 | 28 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 369 | R | 47.4 | Very low | 46.8 | Very low | 250 Ų | 250 | 142.9 Ų | 142.9 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | trans | -115.2 | 133.5 | 172.3 | -163.7 | 166.3 | -177.2 | 156.4 | 1 | 110.5 | G367 | G367-R369 PolarHBondContact O-N 3.24Š| ||
| 370 | G | 40.9 | Very low | 46.8 | Very low | 64 Ų | 64 | 142.9 Ų | 142.9 | 66% | 0.66 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 163.1 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P372 | G370-P372 WeakPolarHBondContact O-CD 3.29Š|
| 371 | L | 42.8 | Very low | 47.7 | Very low | 177 Ų | 177 | 142 Ų | 142 | 93% | 0.927 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.8 | 179.4 | -64.9 | 169.3 | 0 | 0 | 0 | 112.1 | ||
| 372 | P | 61.2 | Low | 48.4 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 153.4 | 164.9 | -13.6 | 31.3 | 0 | 0 | 0 | 111.4 | G370 | G370-P372 WeakPolarHBondContact O-CD 3.29Š|
| 373 | G | 43.5 | Very low | 48.4 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 169.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 374 | P | 52.6 | Low | 49.3 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143 | -175.9 | 27.6 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 375 | K | 57.3 | Low | 49.2 | Very low | 206 Ų | 206 | 134.1 Ų | 134.1 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -121.2 | 136.9 | 178.1 | -172 | 175.6 | -179.7 | 179.6 | 0 | 109.4 | ||||
| 376 | G | 47.5 | Very low | 48.8 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -68.3 | 166.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 377 | E | 53.8 | Low | 49.3 | Very low | 206 Ų | 206 | 126.9 Ų | 126.9 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | trans | -71 | 153.8 | -172.8 | -58.9 | 174.7 | 147.3 | 0 | 0 | 113.5 | ||||
| 378 | K | 53.8 | Low | 48.7 | Very low | 207 Ų | 207 | 128.9 Ų | 128.9 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | trans | -141.7 | 126.1 | 167 | -173.5 | -179.6 | 179.1 | -174.3 | 0 | 108.3 | ||||
| 379 | G | 48.1 | Very low | 48.4 | Very low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | -81 | 179.8 | -162 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 380 | D | 39.8 | Very low | 48.1 | Very low | 170 Ų | 170 | 124.3 Ų | 124.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -72.5 | 165 | -165.9 | -51.9 | -77.5 | 0 | 0 | 0 | 115.7 | ||||
| 381 | T | 55.6 | Low | 48 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -129.2 | 132.8 | 174 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 382 | G | 47.8 | Very low | 47.7 | Very low | 62 Ų | 62 | 121.5 Ų | 121.5 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 164.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 383 | P | 52.8 | Low | 46.4 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 141.4 | -174.3 | 31.1 | -35.4 | 0 | 0 | 0 | 114.4 | ||
| 384 | P | 60.1 | Low | 46.1 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 169.5 | 172.4 | -20.6 | 34.4 | 0 | 0 | 0 | 116 | ||
| 385 | G | 40.5 | Very low | 45.3 | Very low | 59 Ų | 59 | 125.1 Ų | 125.1 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | trans | -95.1 | -170.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 386 | P | 44 | Very low | 44.2 | Very low | 62 Ų | 62 | 124.3 Ų | 124.3 | 40% | 0.403 | 79% | 0.793 | S | S | . | * | trans | -102.4 | 148.4 | -159.1 | 37.8 | -37 | 0 | 0 | 0 | 116.9 | T779 | P386-T779 HydrophobicContact CB-CG2 4.42Š| ||
| 387 | P | 47.8 | Very low | 44.5 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -77.3 | 172.5 | 164 | -16.6 | 32.8 | 0 | 0 | 0 | 114.7 | ||||
| 388 | A | 33.7 | Very low | 43.6 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -117.5 | -179.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 389 | L | 45 | Very low | 43.1 | Very low | 169 Ų | 169 | 120 Ų | 120 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -51.6 | 150.1 | -179.7 | -65.2 | 158.9 | 0 | 0 | 0 | 114.2 | ||||
| 390 | P | 41.2 | Very low | 43.1 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | -141.7 | 179 | 102 | 40 | -28.5 | 0 | 0 | 0 | 113.9 | |||||
| 391 | G | 38.8 | Very low | 42.9 | Very low | 74 Ų | 74 | 117.8 Ų | 117.8 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -171.2 | 155.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 392 | S | 37 | Very low | 42.5 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -172.1 | 144.6 | 165.2 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 393 | L | 34.8 | Very low | 42.6 | Very low | 173 Ų | 173 | 117.6 Ų | 117.6 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | 37.4 | 99.6 | 153.3 | -62.5 | 158.3 | 0 | 0 | 0 | 116.6 | ||||
| 394 | G | 36.1 | Very low | 41.8 | Very low | 70 Ų | 70 | 121.5 Ų | 121.5 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | 112.2 | -179.4 | 71.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 395 | I | 36.3 | Very low | 41.1 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | cis | -165.6 | 152.3 | -21.8 | 31.9 | 166.8 | 0 | 0 | 0 | 105 | ||||
| 396 | Q | 34.7 | Very low | 41.6 | Very low | 190 Ų | 190 | 125.6 Ų | 125.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | cis | -142.7 | -174.2 | 4.3 | -165.4 | 165.9 | -93.2 | 0 | 0 | 108.9 | ||||
| 397 | G | 53.2 | Low | 41.2 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | trans | -127.2 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 398 | P | 34.2 | Very low | 41.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -93.4 | 163 | 178.5 | 37.2 | -34.7 | 0 | 0 | 0 | 114.1 | ||||
| 399 | Q | 44.3 | Very low | 41.8 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -92.9 | 150.6 | -174.5 | -171.9 | 174.2 | 2.4 | 0 | 0 | 113 | ||||
| 400 | G | 47.8 | Very low | 41.7 | Very low | 64 Ų | 64 | 139.5 Ų | 139.5 | 66% | 0.66 | 83% | 0.825 | S | S | * | * | trans | -109.2 | 163.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 401 | P | 35.8 | Very low | 42.1 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -101.1 | 179.7 | 174 | 45.4 | -38.3 | 0 | 0 | 0 | 110.8 | ||||
| 402 | P | 45.7 | Very low | 42.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | -106.9 | 172.8 | -101.6 | -0 | 24 | 0 | 0 | 0 | 113.9 | |||||
| 403 | G | 51.4 | Low | 43 | Very low | 78 Ų | 78 | 149.3 Ų | 149.3 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -64.4 | 162.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 404 | K | 36.3 | Very low | 44.3 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -113.6 | 136.8 | 166 | -66.8 | -174.3 | 178.8 | -177.8 | 0 | 108.8 | ||||
| 405 | E | 45.3 | Very low | 45.1 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63 | 153.2 | -178.2 | -62.3 | 170.1 | 110.6 | 0 | 0 | 112.2 | Q407 | E405-Q407 PolarHBondContact O-N 3.16Š|
| 406 | G | 50.5 | Low | 46.3 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R408 | G406-R408 PolarHBondContact O-N 3.11Š|
| 407 | Q | 35.7 | Very low | 47.8 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 117.2 | 170.3 | -73.6 | -165.7 | -3.1 | 0 | 0 | 110.9 | E405 | E405-Q407 PolarHBondContact O-N 3.16Š|
| 408 | R | 46.6 | Very low | 47.9 | Very low | 239 Ų | 239 | 142.7 Ų | 142.7 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -12 | 139.2 | 157.5 | -176.9 | 176.1 | -70.4 | 165.2 | -2.8 | 116 | G406 | G406-R408 PolarHBondContact O-N 3.11Š| ||
| 409 | G | 46.2 | Very low | 49 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | -51.2 | 154.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R411 | G409-R411 PolarHBondContact O-N 3.34Š| ||
| 410 | R | 43.8 | Very low | 49.9 | Very low | 253 Ų | 253 | 142.3 Ų | 142.3 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | trans | -67.4 | 115.2 | -176.4 | -72.9 | -177.4 | 172.5 | -174.1 | -2.8 | 111.3 | G412 | R410-G412 PolarHBondContact O-N 3.35Š| ||
| 411 | R | 50.1 | Low | 50.2 | Low | 240 Ų | 240 | 142.2 Ų | 142.2 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 136.5 | 164.7 | 177.4 | 179.8 | -76.5 | 177.5 | -5.7 | 110.6 | G409 | G409-R411 PolarHBondContact O-N 3.34Š|
| 412 | G | 47.2 | Very low | 51 | Low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 154.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R410 T414 | R410-G412 PolarHBondContact O-N 3.35Å; G412-T414 PolarHBondContact O-N 2.91Å |
| 413 | K | 47.4 | Very low | 51.8 | Low | 213 Ų | 213 | 142.3 Ų | 142.3 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128 | 178 | -66 | -178.4 | -180 | 179.8 | 0 | 110.4 | ||
| 414 | T | 61.4 | Low | 51.8 | Low | 139 Ų | 139 | 141.6 Ų | 141.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.5 | 166 | -46.5 | 0 | 0 | 0 | 0 | 110.1 | G412 | G412-T414 PolarHBondContact O-N 2.91Š|
| 415 | G | 54.3 | Low | 52.4 | Low | 56 Ų | 56 | 137.5 Ų | 137.5 | 58% | 0.577 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 150 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 416 | P | 61.3 | Low | 53 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.7 | 176.7 | 28 | -34.4 | 0 | 0 | 0 | 110.6 | ||
| 417 | P | 66.4 | Low | 52.8 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 146.4 | 173.2 | -25.8 | 34.9 | 0 | 0 | 0 | 112.4 | ||
| 418 | G | 54.8 | Low | 53.3 | Low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 419 | K | 55.8 | Low | 53.4 | Low | 203 Ų | 203 | 125 Ų | 125 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 131.6 | 176.4 | -65.1 | -177 | -179.7 | -178.8 | 0 | 109.3 | ||
| 420 | P | 63.8 | Low | 53 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 143.1 | 170.9 | -26 | 35.1 | 0 | 0 | 0 | 111.3 | ||
| 421 | G | 53.7 | Low | 52.9 | Low | 62 Ų | 62 | 121.6 Ų | 121.6 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 422 | P | 53.9 | Low | 52.2 | Low | 123 Ų | 123 | 119.1 Ų | 119.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.1 | 175.7 | 27 | -34.1 | 0 | 0 | 0 | 110.4 | ||
| 423 | P | 61.9 | Low | 51.6 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141 | 174.5 | -25.6 | 34.9 | 0 | 0 | 0 | 112 | ||
| 424 | G | 50.5 | Low | 50.7 | Low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 425 | P | 49 | Very low | 49.1 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 142.5 | 178.4 | 26.6 | -34.4 | 0 | 0 | 0 | 111 | ||
| 426 | P | 59.4 | Low | 48.1 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.1 | 177.7 | -25.6 | 35 | 0 | 0 | 0 | 112.7 | ||
| 427 | G | 45.2 | Very low | 46.6 | Very low | 64 Ų | 64 | 125.1 Ų | 125.1 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 150.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 428 | P | 47.1 | Very low | 44.7 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 150.6 | 178.6 | 28.4 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 429 | P | 49.2 | Very low | 43.5 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 137.9 | 179.1 | -24.2 | 34.7 | 0 | 0 | 0 | 113.4 | ||
| 430 | G | 37.2 | Very low | 42.2 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 128.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 431 | I | 42.1 | Very low | 40.5 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.4 | 168 | 45.2 | 173.7 | 0 | 0 | 0 | 110.8 | ||
| 432 | Q | 35.5 | Very low | 39.6 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72 | 145.5 | 170.4 | -74 | -177.6 | -25.8 | 0 | 0 | 110.5 | ||
| 433 | G | 33 | Very low | 38.7 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 434 | I | 29 | Very low | 37.2 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 145.5 | 168.6 | -59.4 | 175.9 | 0 | 0 | 0 | 109.1 | ||
| 435 | H | 28.7 | Very low | 36.4 | Very low | 173 Ų | 173 | 140 Ų | 140 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 168.8 | -172.5 | -157.8 | -93.9 | 0 | 0 | 0 | 114.2 | ||
| 436 | Q | 32.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 146.4 | 171.8 | -56.9 | 170 | -6.7 | 0 | 0 | 112.8 | ||
| 437 | T | 28.6 | Very low | 34.3 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -173.3 | 135.4 | 145.3 | 31.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 438 | L | 28.3 | Very low | 33.7 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | cis | 76.9 | 116.9 | 26.5 | -158.5 | 82 | 0 | 0 | 0 | 115.9 | ||||
| 439 | G | 29.5 | Very low | 32.8 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 102.2 | 126.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 440 | G | 27.6 | Very low | 32.1 | Very low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 175.8 | 43.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 441 | Y | 28.2 | Very low | 31.9 | Very low | 230 Ų | 230 | 148.4 Ų | 148.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -10.5 | 138.1 | 170.8 | -69 | -93.4 | 0 | 0 | 0 | 121.3 | ||||
| 442 | Y | 34.8 | Very low | 31.7 | Very low | 230 Ų | 230 | 147.7 Ų | 147.7 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -106.6 | 153.4 | 153.7 | -95 | -91.7 | 0 | 0 | 0 | 111.1 | ||||
| 443 | N | 34.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -97.9 | 131.4 | 176.1 | -96.2 | -47.2 | 0 | 0 | 0 | 112 | ||||
| 444 | K | 30.3 | Very low | 32 | Very low | 164 Ų | 164 | 147 Ų | 147 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 46.4 | 146.1 | 134.4 | -82.8 | 175.2 | 146.8 | -80.8 | 0 | 120.9 | ||||
| 445 | D | 34.5 | Very low | 32.2 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | cis | -155.1 | 173.8 | 20.9 | -118.1 | -39.7 | 0 | 0 | 0 | 113.3 | ||||
| 446 | N | 32.7 | Very low | 32.6 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 80.9 | 123.5 | 159.4 | -94.2 | -46.7 | 0 | 0 | 0 | 122.7 | ||||
| 447 | K | 32.1 | Very low | 32.8 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 42 | 123.3 | 146.6 | -58.3 | 172.3 | -176.1 | -177.2 | 0 | 118.4 | ||||
| 448 | G | 32.3 | Very low | 33 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | cis | 165 | -166.2 | 9.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 449 | N | 28.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | cis | -165.5 | 147.5 | -11.3 | -136 | 82.7 | 0 | 0 | 0 | 108.6 | ||||
| 450 | D | 33.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | 61.3 | 149.6 | 170.7 | -44.7 | -52.7 | 0 | 0 | 0 | 116.7 | ||||
| 451 | E | 32.2 | Very low | 34.3 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | cis | -150.7 | 151.8 | 7.3 | -147 | 163.5 | -144.7 | 0 | 0 | 112.3 | ||||
| 452 | H | 38.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -10.1 | 154.4 | 159.2 | -60 | 91.2 | 0 | 0 | 0 | 121.3 | ||||
| 453 | E | 38.4 | Very low | 35.1 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | cis | -166.1 | -172 | -21.8 | -128 | -144.4 | 112.4 | 0 | 0 | 106.9 | ||||
| 454 | A | 36.9 | Very low | 35.2 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | cis | -133.8 | -142.4 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 455 | G | 32.8 | Very low | 35.6 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | 133 | 117.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 456 | G | 37.5 | Very low | 36.1 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | 135.5 | 126.5 | 15.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 457 | L | 36.5 | Very low | 36.8 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -152.2 | 137.9 | 54 | -71.9 | 162.4 | 0 | 0 | 0 | 109 | |||||
| 458 | K | 33.8 | Very low | 37.2 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | 54.1 | 125 | 89.9 | -163.8 | -176.2 | 178.6 | -172.6 | 0 | 115 | |||||
| 459 | G | 39.3 | Very low | 37.6 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | -137.8 | -172.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 460 | D | 36.8 | Very low | 38.4 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -126.4 | 150.7 | -173.2 | -84 | -58.8 | 0 | 0 | 0 | 114 | ||||
| 461 | K | 35.7 | Very low | 38.6 | Very low | 209 Ų | 209 | 131.4 Ų | 131.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | 15.8 | 121.5 | 155.7 | -138.7 | 176.6 | -174.3 | -175 | 0 | 119.3 | ||||
| 462 | G | 44.1 | Very low | 39.4 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -111.2 | 174 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 463 | E | 35.7 | Very low | 39.2 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -139.1 | 149.5 | 173.7 | -83.2 | -174.2 | -179.9 | 0 | 0 | 112.7 | ||||
| 464 | T | 37.3 | Very low | 39.1 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | 33.3 | 97.7 | 152.9 | -43.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 465 | G | 38.3 | Very low | 39.5 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 466 | L | 43.8 | Very low | 39.6 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 137.6 | 177.2 | -72.7 | 163.4 | 0 | 0 | 0 | 111.8 | ||
| 467 | P | 47.8 | Very low | 39.9 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 143.2 | -178.5 | -22.9 | 34.4 | 0 | 0 | 0 | 114.8 | ||
| 468 | G | 41.6 | Very low | 39.7 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 156.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P470 | G468-P470 WeakPolarHBondContact O-CD 3.48Š|
| 469 | F | 40.7 | Very low | 40 | Very low | 213 Ų | 213 | 131.3 Ų | 131.3 | 93% | 0.934 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124.3 | -174.3 | -70.7 | -88.7 | 0 | 0 | 0 | 114 | ||
| 470 | P | 46 | Very low | 39.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 146.8 | 172.9 | -17 | 32.5 | 0 | 0 | 0 | 113.9 | G468 | G468-P470 WeakPolarHBondContact O-CD 3.48Š|
| 471 | G | 37.6 | Very low | 39.6 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 120 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 472 | S | 49 | Very low | 40.4 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 51.7 | 143.9 | 148.5 | 62.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 473 | V | 33.4 | Very low | 39.7 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 92% | 0.915 | 79% | 0.792 | S | S | * | * | trans | 71.2 | 127.6 | 170.2 | -164.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 474 | G | 37.3 | Very low | 39.8 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | cis | -170.3 | 151.3 | -6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 475 | P | 44 | Very low | 40.7 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -85.8 | 132.7 | -166.1 | 32.1 | -34.7 | 0 | 0 | 0 | 114 | ||||
| 476 | K | 36 | Very low | 40.4 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | -131.6 | 72 | 159.7 | -164.1 | -179.7 | 179.7 | -179.3 | 0 | 112.4 | ||||
| 477 | G | 43.7 | Very low | 40 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | 45 | 138.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 478 | Q | 31.7 | Very low | 39.4 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | -153.3 | 172.8 | 125.8 | -115.4 | 168.8 | 107.5 | 0 | 0 | 112.5 | |||||
| 479 | K | 39.4 | Very low | 39.1 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -97.2 | 153.2 | -175.6 | 178.4 | -167.5 | 179.6 | -137.8 | 0 | 109.2 | E481 | K479-E481 WeakPolarHBondContact CE-OE1 3.26Å; K479-E481 IonicContact NZ-OE1 3.72Å; K479-E481 PolarHBondContact NZ-OE1 3.19Å | ||
| 480 | G | 34.2 | Very low | 38.9 | Very low | 60 Ų | 60 | 129.9 Ų | 129.9 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | cis | 158.1 | -166.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 481 | E | 35.2 | Very low | 38.4 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 69.2 | 166.7 | 173.7 | -60.1 | 170.4 | -159.3 | 0 | 0 | 115.6 | K479 | K479-E481 WeakPolarHBondContact CE-OE1 3.26Å; K479-E481 IonicContact NZ-OE1 3.72Å; K479-E481 PolarHBondContact NZ-OE1 3.19Å | ||
| 482 | P | 51.8 | Low | 38.3 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | -131.6 | 171.3 | -55.5 | 39 | -25.8 | 0 | 0 | 0 | 114 | |||||
| 483 | G | 29.9 | Very low | 37.8 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 172.4 | 139.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 484 | E | 37.8 | Very low | 38.1 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -110.2 | -164.9 | 172.4 | -38.3 | 177.3 | 119.9 | 0 | 0 | 109.4 | ||||
| 485 | P | 56.3 | Low | 37.9 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | cis | -135.5 | -170.7 | -19.3 | 20.5 | 6.1 | 0 | 0 | 0 | 114.3 | ||||
| 486 | F | 31.1 | Very low | 37.2 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | 90 | 135.9 | 148.2 | -75.9 | -60.3 | 0 | 0 | 0 | 125.3 | ||||
| 487 | T | 36.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | 67.2 | 120.6 | 144.1 | 47.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 488 | K | 33.9 | Very low | 37.4 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | 28.6 | 130.6 | 113.2 | -175.2 | -169.4 | 179.5 | -169.3 | 0 | 116.8 | |||||
| 489 | G | 35.9 | Very low | 37.8 | Very low | 60 Ų | 60 | 136 Ų | 136 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | cis | 165 | -158.2 | 8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 490 | E | 35.6 | Very low | 37.7 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | 66.9 | 162.9 | 175.6 | -67.2 | -172.3 | -159.9 | 0 | 0 | 115.3 | ||||
| 491 | K | 35.3 | Very low | 38.1 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | -171.4 | 152.9 | -25.2 | 163.8 | -176.3 | 167.4 | -164.7 | 0 | 108.9 | ||||
| 492 | G | 36.9 | Very low | 39.3 | Very low | 59 Ų | 59 | 134.9 Ų | 134.9 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 85.6 | 161.6 | 159 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 493 | D | 37.6 | Very low | 38.9 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | cis | -149.7 | 140.7 | -12.2 | -83.7 | -51.5 | 0 | 0 | 0 | 106.7 | ||||
| 494 | R | 39.4 | Very low | 39.3 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | 43.9 | 109.1 | 81.3 | -162.7 | -178.9 | -168.7 | 174.4 | 4.3 | 112.2 | |||||
| 495 | G | 34.4 | Very low | 39.1 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | 126.2 | 139.6 | 9.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 496 | E | 29.7 | Very low | 38.7 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -130 | 142.5 | -171.1 | -154.6 | 162.8 | -130.1 | 0 | 0 | 112 | ||||
| 497 | P | 43.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -126.2 | 137.2 | -152.3 | 35.1 | -16.7 | 0 | 0 | 0 | 116.6 | ||||
| 498 | G | 39.3 | Very low | 39.4 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 76.1 | 121.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 499 | I | 39.8 | Very low | 39.7 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -148.4 | 133 | 139.8 | 33.1 | 170.1 | 0 | 0 | 0 | 109.6 | ||||
| 500 | I | 37.6 | Very low | 40.3 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -137.1 | 124.5 | 157.6 | -66 | -177.4 | 0 | 0 | 0 | 107.7 | ||||
| 501 | G | 43.1 | Very low | 40.1 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -109.3 | 138.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 502 | S | 59.8 | Low | 40.1 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -102.4 | 127.5 | -163.7 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 503 | Q | 44 | Very low | 40.7 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 139.8 | 174 | -176.3 | 177.8 | -2 | 0 | 0 | 111.7 | ||||
| 504 | G | 37.7 | Very low | 40.5 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 87.7 | 111.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 505 | V | 34.3 | Very low | 40.5 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 92% | 0.915 | 78% | 0.779 | S | S | * | * | trans | 49 | 93.5 | 167 | -145.9 | 0 | 0 | 0 | 0 | 115.9 | G507 | V505-G507 PolarHBondContact O-N 3.28Š| ||
| 506 | K | 46.6 | Very low | 41.3 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 68% | 0.683 | 79% | 0.786 | S | S | * | * | trans | -70.2 | 89.2 | -179.5 | -170.5 | -160.2 | -175.6 | -164.9 | 0 | 112.3 | E508 | K506-E508 HydrophobicContact CD-CG 4.32Å; K506-E508 VanDerWaalsContact CE-OE1 3.3Å; K506-E508 WeakPolarHBondContact CE-OE1 3.27Å; K506-E508 IonicContact NZ-OE1 3.11Å; K506-E508 PolarHBondContact NZ-OE1 3.41Å | ||
| 507 | G | 52.4 | Low | 41.5 | Very low | 64 Ų | 64 | 117.3 Ų | 117.3 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 124.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | V505 P509 | V505-G507 PolarHBondContact O-N 3.28Å; G507-P509 WeakPolarHBondContact O-CD 3.47Å |
| 508 | E | 30.4 | Very low | 41.1 | Very low | 156 Ų | 156 | 118.9 Ų | 118.9 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72 | 118.1 | -173.1 | -56.9 | -149.3 | 112.6 | 0 | 0 | 110.5 | K506 | K506-E508 HydrophobicContact CD-CG 4.32Å; K506-E508 VanDerWaalsContact CE-OE1 3.3Å; K506-E508 WeakPolarHBondContact CE-OE1 3.27Å; K506-E508 IonicContact NZ-OE1 3.11Å; K506-E508 PolarHBondContact NZ-OE1 3.41Å |
| 509 | P | 39.9 | Very low | 41.5 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 168.4 | -170.5 | 34.8 | -36 | 0 | 0 | 0 | 112.1 | G507 D511 | G507-P509 WeakPolarHBondContact O-CD 3.47Å; P509-D511 PolarHBondContact O-N 3.38Å; P509-D511 VanDerWaalsContact O-N 3.11Å |
| 510 | G | 48.7 | Very low | 41.3 | Very low | 82 Ų | 82 | 116 Ų | 116 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -57.1 | 111.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 511 | D | 30.8 | Very low | 41.7 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -71.6 | 155.3 | 172.7 | -107.6 | -22.5 | 0 | 0 | 0 | 111.9 | P509 | P509-D511 PolarHBondContact O-N 3.38Å; P509-D511 VanDerWaalsContact O-N 3.11Å | ||
| 512 | P | 36.3 | Very low | 41.9 | Very low | 95 Ų | 95 | 114 Ų | 114 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | -104 | 147.2 | -122 | -4.9 | 26.1 | 0 | 0 | 0 | 111.8 | P514 | P512-P514 WeakPolarHBondContact O-CD 3.02Å; P512-P514 VanDerWaalsContact O-CG 3.28Å; P512-P514 WeakPolarHBondContact O-CG 3.02Å; P512-P514 VanDerWaalsContact O-N 3.1Å | |||
| 513 | G | 50.1 | Low | 41 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -61.8 | 106.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 514 | P | 33.3 | Very low | 40.7 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -85.8 | 168.8 | -177.7 | -1.9 | 23.5 | 0 | 0 | 0 | 110.7 | P512 | P512-P514 WeakPolarHBondContact O-CD 3.02Å; P512-P514 VanDerWaalsContact O-CG 3.28Å; P512-P514 WeakPolarHBondContact O-CG 3.02Å; P512-P514 VanDerWaalsContact O-N 3.1Å | ||
| 515 | P | 39.1 | Very low | 40.8 | Very low | 98 Ų | 98 | 116 Ų | 116 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 145.1 | -163.1 | -21.1 | 34.2 | 0 | 0 | 0 | 114.8 | L517 | P515-L517 HydrophobicContact CB-CB 4.04Å; P515-L517 HydrophobicContact CB-CD1 3.58Å; P515-L517 HydrophobicContact CB-CG 3.56Å; P515-L517 HydrophobicContact CG-CD1 4.03Å; P515-L517 PolarHBondContact O-N 3.34Å | ||
| 516 | G | 51.6 | Low | 41 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 92% | 0.918 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 83.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 517 | L | 33.8 | Very low | 40.7 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | trans | -131.3 | 126.6 | 178.6 | -77.3 | 176.4 | 0 | 0 | 0 | 113.3 | P515 | P515-L517 HydrophobicContact CB-CB 4.04Å; P515-L517 HydrophobicContact CB-CD1 3.58Å; P515-L517 HydrophobicContact CB-CG 3.56Å; P515-L517 HydrophobicContact CG-CD1 4.03Å; P515-L517 PolarHBondContact O-N 3.34Å | ||
| 518 | I | 35.3 | Very low | 40.3 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 55.6 | 102.1 | 141.3 | -54.7 | 173.1 | 0 | 0 | 0 | 116.2 | ||||
| 519 | G | 46.6 | Very low | 40.9 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 157.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 520 | S | 36.5 | Very low | 41 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -141 | 164.7 | 171.6 | 79.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 521 | P | 45.2 | Very low | 40.7 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | -101.9 | 157.2 | -101.4 | -8.3 | 28.5 | 0 | 0 | 0 | 114.9 | |||||
| 522 | G | 48.5 | Very low | 41.4 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -85.1 | 144.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 523 | L | 39.8 | Very low | 41.9 | Very low | 158 Ų | 158 | 121 Ų | 121 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -127.5 | 110 | 161.5 | -68.2 | 174.5 | 0 | 0 | 0 | 106.4 | ||||
| 524 | K | 38.4 | Very low | 41.7 | Very low | 191 Ų | 191 | 120.1 Ų | 120.1 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | 59.6 | 125.3 | 90.5 | -78.4 | -174.2 | 172.2 | -179.4 | 0 | 112.4 | |||||
| 525 | G | 38.4 | Very low | 42.5 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | cis | -174.3 | -166.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 526 | Q | 39.7 | Very low | 43 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | cis | -164 | 167.2 | -0.1 | -141.5 | 173.4 | 3.7 | 0 | 0 | 107.8 | ||||
| 527 | Q | 40.1 | Very low | 42.6 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | 66.5 | 139.7 | 174.9 | -169.6 | 170.2 | -10.9 | 0 | 0 | 116.1 | ||||
| 528 | G | 43.6 | Very low | 43.3 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -130 | 165 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 529 | S | 44.3 | Very low | 43.9 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -124.9 | 160.3 | 170.4 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 530 | A | 40.9 | Very low | 44 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -85.6 | 146.3 | -156 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 531 | G | 42.7 | Very low | 44 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 77.2 | 102 | 143.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | M533 | G531-M533 PolarHBondContact O-N 3.3Š| ||
| 532 | S | 46 | Very low | 43.7 | Very low | 127 Ų | 127 | 128 Ų | 128 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -81 | 108.4 | 166.1 | 42.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 533 | M | 46.1 | Very low | 43.2 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138.7 | 165.5 | -174.3 | 165 | 59.3 | 0 | 0 | 109.7 | G531 | G531-M533 PolarHBondContact O-N 3.3Š|
| 534 | G | 45.3 | Very low | 42.9 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R536 | G534-R536 PolarHBondContact O-N 3.25Š|
| 535 | P | 51 | Low | 43.4 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 125 | -177.3 | 27.4 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 536 | R | 49.5 | Very low | 43.7 | Very low | 240 Ų | 240 | 125.2 Ų | 125.2 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129 | 166 | 175.8 | 178.7 | 176 | 177.8 | -2.3 | 108.7 | G534 | G534-R536 PolarHBondContact O-N 3.25Š|
| 537 | G | 42.9 | Very low | 43.5 | Very low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 133.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 538 | P | 47.7 | Very low | 43.5 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 154.5 | -177.1 | 29.2 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 539 | P | 49.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 163.5 | 163.9 | -20.7 | 34.2 | 0 | 0 | 0 | 112.3 | ||
| 540 | G | 47 | Very low | 43.1 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 146.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 541 | D | 37.2 | Very low | 43.5 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -98 | 165.5 | -176.6 | -67.7 | -57.9 | 0 | 0 | 0 | 114.1 | ||
| 542 | V | 37.9 | Very low | 43.4 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 153.1 | -163.8 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 543 | G | 39.4 | Very low | 43.2 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 162.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 544 | L | 33.3 | Very low | 42.9 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 158.9 | -176.3 | -67.4 | 171.2 | 0 | 0 | 0 | 113.3 | ||
| 545 | P | 49.4 | Very low | 42.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 159 | -167.9 | -15.4 | 32.3 | 0 | 0 | 0 | 114.8 | ||
| 546 | G | 43.4 | Very low | 42.3 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 141.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 547 | E | 36.3 | Very low | 42.2 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 155.7 | 176.5 | -64.6 | -168.3 | 112.4 | 0 | 0 | 113.4 | ||
| 548 | H | 39.3 | Very low | 42.1 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 145.3 | 179.1 | -86.7 | 45.1 | 0 | 0 | 0 | 112.9 | ||
| 549 | G | 40.7 | Very low | 41.8 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 159.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 550 | I | 38.9 | Very low | 41.8 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 86% | 0.862 | 83% | 0.831 | S | S | * | * | trans | -106.4 | 136.6 | -177.8 | -52.2 | 177.1 | 0 | 0 | 0 | 109.9 | ||||
| 551 | P | 49.8 | Very low | 41.3 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 145 | -156.7 | -15.5 | 32.9 | 0 | 0 | 0 | 117.3 | ||
| 552 | G | 40.6 | Very low | 41.1 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 119.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 553 | K | 41.8 | Very low | 41.5 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 141.4 | -165.7 | -60.7 | 174.3 | -177.5 | 177.5 | 0 | 115.4 | ||
| 554 | Q | 40.6 | Very low | 41.4 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.1 | 175.2 | -169.5 | 175.1 | 16.1 | 0 | 0 | 112.1 | ||
| 555 | G | 42 | Very low | 42.4 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 164.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 556 | I | 41.2 | Very low | 41.8 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 94% | 0.938 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 138.8 | 176.6 | 56.8 | 173.5 | 0 | 0 | 0 | 112.9 | ||
| 557 | K | 46.3 | Very low | 42.1 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 126.3 | -165.5 | 169.7 | -173.2 | 174.2 | -171.3 | 0 | 113 | ||
| 558 | G | 42.4 | Very low | 42.2 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 158.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 559 | E | 40.9 | Very low | 42.4 | Very low | 202 Ų | 202 | 129.6 Ų | 129.6 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 171.7 | -161.4 | -59.1 | -176.8 | 125.9 | 0 | 0 | 115.7 | ||
| 560 | K | 49.5 | Very low | 42.8 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | -138 | 129.8 | -173.7 | -173.5 | -136.6 | 178.6 | -118.7 | 0 | 112.1 | D562 | K560-D562 IonicContact NZ-OD1 2.86Å; K560-D562 PolarHBondContact NZ-OD1 3.03Å; K560-D562 IonicContact NZ-OD2 2.77Å; K560-D562 PolarHBondContact NZ-OD2 2.79Å | ||
| 561 | G | 36.3 | Very low | 43.2 | Very low | 60 Ų | 60 | 127.6 Ų | 127.6 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | 178.1 | 104.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 562 | D | 33.2 | Very low | 42.3 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | 70.7 | 142.3 | 78.1 | -60.7 | -41.1 | 0 | 0 | 0 | 112 | K560 | K560-D562 IonicContact NZ-OD1 2.86Å; K560-D562 PolarHBondContact NZ-OD1 3.03Å; K560-D562 IonicContact NZ-OD2 2.77Å; K560-D562 PolarHBondContact NZ-OD2 2.79Å | |||
| 563 | P | 45.9 | Very low | 42.5 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | cis | -111.6 | -179.5 | 5.1 | 41.7 | -31.3 | 0 | 0 | 0 | 113.7 | ||||
| 564 | G | 37.9 | Very low | 43 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -96.7 | 168.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 565 | G | 54.3 | Low | 42.9 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 95.3 | 62.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 566 | I | 35.7 | Very low | 42.9 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -128.8 | 139.6 | 157.4 | 47.2 | 174.6 | 0 | 0 | 0 | 111.3 | ||||
| 567 | I | 50 | Low | 43.5 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -76.7 | 146 | -176.1 | -65.8 | 164.3 | 0 | 0 | 0 | 109.8 | P569 | I567-P569 WeakPolarHBondContact O-CD 3.04Š| ||
| 568 | G | 39.4 | Very low | 42.9 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -90.4 | 98.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 569 | P | 42.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 162.4 | 175 | 29.6 | -36.6 | 0 | 0 | 0 | 112.4 | I567 G571 | I567-P569 WeakPolarHBondContact O-CD 3.04Å; P569-G571 PolarHBondContact O-N 2.93Å; P569-G571 VanDerWaalsContact O-N 3.08Å | ||
| 570 | P | 50.3 | Low | 43.7 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -75.2 | 100.9 | -167.4 | 29 | -36.3 | 0 | 0 | 0 | 114.6 | ||||
| 571 | G | 46 | Very low | 43.3 | Very low | 67 Ų | 67 | 116 Ų | 116 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 68.7 | 172.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | P569 | P569-G571 PolarHBondContact O-N 2.93Å; P569-G571 VanDerWaalsContact O-N 3.08Å | ||
| 572 | L | 31.8 | Very low | 43.7 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -146.1 | 154.2 | 144.9 | -85.8 | -174.2 | 0 | 0 | 0 | 109.1 | ||||
| 573 | P | 44.9 | Very low | 44.2 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -81.3 | 156.8 | -166.1 | -13 | 30.9 | 0 | 0 | 0 | 114.2 | ||||
| 574 | G | 50.8 | Low | 43.8 | Very low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | -77 | 173.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | K576 | G574-K576 PolarHBondContact O-N 3.26Š| ||
| 575 | P | 39.3 | Very low | 43.9 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 102.3 | 178.1 | 29.5 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 576 | K | 41.5 | Very low | 43.2 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -41.8 | 135.5 | 142.4 | 172.8 | -173.7 | 179.6 | -172.6 | 0 | 109.1 | G574 | G574-K576 PolarHBondContact O-N 3.26Š| ||
| 577 | G | 55.3 | Low | 43.7 | Very low | 57 Ų | 57 | 122.2 Ų | 122.2 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | cis | 115.1 | 102.8 | 15.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 578 | E | 32.5 | Very low | 43.7 | Very low | 205 Ų | 205 | 118.2 Ų | 118.2 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 145.1 | 172.3 | -66.8 | -165 | 150.6 | 0 | 0 | 110.6 | ||||
| 579 | A | 41 | Very low | 43.7 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -106.8 | 133.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 580 | G | 58.5 | Low | 44.1 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -86.7 | 150.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 581 | P | 42.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -137.2 | 170 | 156.7 | 38.8 | -26 | 0 | 0 | 0 | 113 | ||||
| 582 | P | 43.8 | Very low | 44.3 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -126.9 | 162.6 | -31.4 | 37 | -23 | 0 | 0 | 0 | 112.6 | ||||
| 583 | G | 43.1 | Very low | 44.7 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -106.2 | 168.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 584 | K | 38.8 | Very low | 45 | Very low | 207 Ų | 207 | 121.5 Ų | 121.5 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | trans | -178.9 | 153.5 | 164.1 | -100 | 153.6 | -174.7 | -178.4 | 0 | 108.6 | ||||
| 585 | S | 38.6 | Very low | 44.3 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | cis | -166.2 | 139.1 | 5.2 | 35.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 586 | L | 40.2 | Very low | 44.8 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 68.4 | 175 | 143.1 | -58.2 | 168.6 | 0 | 0 | 0 | 116.7 | ||||
| 587 | P | 47.4 | Very low | 45 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | -127.5 | -176.9 | -84.2 | 37.2 | -18.8 | 0 | 0 | 0 | 112.8 | |||||
| 588 | G | 49.8 | Very low | 44.3 | Very low | 74 Ų | 74 | 121.4 Ų | 121.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -113.1 | 144.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 589 | E | 39.9 | Very low | 45.5 | Very low | 186 Ų | 186 | 117.9 Ų | 117.9 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -172.3 | 167.4 | 165.2 | -120.7 | -177.2 | -163.4 | 0 | 0 | 108.2 | ||||
| 590 | P | 49.5 | Very low | 46 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -110.8 | -168 | -54.3 | 16 | 6.6 | 0 | 0 | 0 | 111 | |||||
| 591 | G | 55.4 | Low | 45.6 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -100.5 | -165.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 592 | L | 44.6 | Very low | 46.2 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 78.4 | 139.7 | -169 | -49.7 | 179 | 0 | 0 | 0 | 113.8 | ||||
| 593 | D | 41.7 | Very low | 46.8 | Very low | 151 Ų | 151 | 121.3 Ų | 121.3 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | cis | -147.4 | 166.7 | -6.7 | -131.5 | -32.4 | 0 | 0 | 0 | 112.5 | ||||
| 594 | G | 51.3 | Low | 46.9 | Very low | 59 Ų | 59 | 124.3 Ų | 124.3 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -81.2 | 158 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 595 | N | 34.8 | Very low | 47.4 | Very low | 159 Ų | 159 | 124 Ų | 124 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -150.8 | 163.1 | 165.4 | -99.1 | -61.7 | 0 | 0 | 0 | 110.6 | ||||
| 596 | P | 49.7 | Very low | 48 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 155.2 | -137.9 | -20.2 | 35 | 0 | 0 | 0 | 117.5 | ||
| 597 | G | 46.6 | Very low | 48.1 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 142.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 598 | A | 40.9 | Very low | 48 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69 | 152.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 599 | P | 56.7 | Low | 47.8 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 137.8 | -169.3 | -23.3 | 35 | 0 | 0 | 0 | 114.6 | ||
| 600 | G | 52.1 | Low | 47.9 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 152.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 601 | P | 49.1 | Very low | 48 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.9 | -179.7 | 26.4 | -34.5 | 0 | 0 | 0 | 111.7 | G603 | P601-G603 PolarHBondContact O-N 2.73Å; P601-G603 VanDerWaalsContact O-N 3.14Å |
| 602 | R | 56.3 | Low | 47.4 | Very low | 241 Ų | 241 | 128.2 Ų | 128.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -64.6 | 112.1 | -174.9 | -175.7 | 178.9 | -176.3 | 170.9 | 3.6 | 111.3 | ||||
| 603 | G | 55.4 | Low | 47.3 | Very low | 51 Ų | 51 | 127.1 Ų | 127.1 | 53% | 0.526 | 79% | 0.787 | S | S | . | * | trans | -61.7 | 166.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P601 | P601-G603 PolarHBondContact O-N 2.73Å; P601-G603 VanDerWaalsContact O-N 3.14Å | ||
| 604 | P | 46.2 | Very low | 47.3 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | trans | -57.3 | 147.4 | 178.5 | 26.1 | -34.9 | 0 | 0 | 0 | 110.9 | G606 | P604-G606 PolarHBondContact O-N 2.7Š| ||
| 605 | K | 48.4 | Very low | 46.6 | Very low | 201 Ų | 201 | 128.5 Ų | 128.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -68.5 | 96.2 | 176.9 | -176.4 | -172.9 | 175.5 | -172.3 | 0 | 109 | ||||
| 606 | G | 51 | Low | 47.2 | Very low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 150 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P604 | P604-G606 PolarHBondContact O-N 2.7Š|
| 607 | E | 44.2 | Very low | 46.8 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 152 | 176.9 | -60.6 | -178.7 | 139.5 | 0 | 0 | 110.5 | G609 | E607-G609 PolarHBondContact O-N 3.37Å; E607-G609 VanDerWaalsContact O-N 3.14Å |
| 608 | R | 44.8 | Very low | 46.3 | Very low | 239 Ų | 239 | 125.7 Ų | 125.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119 | 176.8 | 178.5 | -175.4 | -72.5 | 164.2 | -4 | 108 | ||
| 609 | G | 45 | Very low | 46.8 | Very low | 61 Ų | 61 | 129.2 Ų | 129.2 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 142 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E607 | E607-G609 PolarHBondContact O-N 3.37Å; E607-G609 VanDerWaalsContact O-N 3.14Å |
| 610 | L | 42.7 | Very low | 46.1 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.8 | -179.4 | -66.9 | 167 | 0 | 0 | 0 | 110.8 | ||
| 611 | P | 51.8 | Low | 45.5 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 144.2 | 166.8 | -24 | 34.6 | 0 | 0 | 0 | 111.1 | V613 | P611-V613 PolarHBondContact O-N 3.02Š|
| 612 | G | 41.3 | Very low | 45.7 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | H614 | G612-H614 PolarHBondContact O-N 3.09Š|
| 613 | V | 44.4 | Very low | 45.4 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.3 | -177.4 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | P611 | P611-V613 PolarHBondContact O-N 3.02Š|
| 614 | H | 39.7 | Very low | 44.7 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.4 | 167.6 | -171.9 | 75.5 | 0 | 0 | 0 | 109.6 | G612 | G612-H614 PolarHBondContact O-N 3.09Š|
| 615 | G | 38.5 | Very low | 44.2 | Very low | 58 Ų | 58 | 127.6 Ų | 127.6 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 616 | S | 46.3 | Very low | 43.5 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 141 | 164.4 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | G618 | S616-G618 PolarHBondContact O-N 2.84Å; S616-G618 VanDerWaalsContact O-N 3.15Å |
| 617 | P | 41.6 | Very low | 43 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -54.7 | 114 | 145.3 | -17.6 | 32.1 | 0 | 0 | 0 | 106.8 | ||||
| 618 | G | 35.2 | Very low | 43.3 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -99 | 175.5 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S616 | S616-G618 PolarHBondContact O-N 2.84Å; S616-G618 VanDerWaalsContact O-N 3.15Å | ||
| 619 | D | 53.2 | Low | 42.8 | Very low | 170 Ų | 170 | 114.8 Ų | 114.8 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -112.7 | 154.2 | 171.9 | -74 | -60.3 | 0 | 0 | 0 | 111.2 | ||||
| 620 | I | 40.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 123 Ų | 123 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -87.4 | 122.6 | -179 | -60.9 | 174.7 | 0 | 0 | 0 | 110.5 | ||||
| 621 | G | 39.5 | Very low | 42.8 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -179.7 | 88.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 622 | P | 53.3 | Low | 42.2 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -101.8 | -178.3 | -178.5 | 42 | -36.5 | 0 | 0 | 0 | 112.2 | ||||
| 623 | P | 51.4 | Low | 42.3 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -127.5 | 170.9 | -62.1 | 38.3 | -24.3 | 0 | 0 | 0 | 111.6 | |||||
| 624 | G | 41.1 | Very low | 42.4 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -167.5 | 74.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 625 | V | 34.9 | Very low | 42.8 | Very low | 145 Ų | 145 | 117.6 Ų | 117.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -82.4 | 125.5 | 172.9 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 626 | G | 34 | Very low | 43.3 | Very low | 61 Ų | 61 | 121 Ų | 121 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -84.9 | -173.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 627 | I | 39.7 | Very low | 43.6 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -156.6 | 148.7 | 160.1 | -107.2 | 149.3 | 0 | 0 | 0 | 109.8 | ||||
| 628 | P | 51 | Low | 44.1 | Very low | 127 Ų | 127 | 120 Ų | 120 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 170 | -172.3 | 25.1 | -6.6 | 0 | 0 | 0 | 114 | ||||
| 629 | G | 34.9 | Very low | 44.6 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -172.1 | 167.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 630 | R | 46.9 | Very low | 44.6 | Very low | 232 Ų | 232 | 124 Ų | 124 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | cis | -175.1 | 146 | -27.4 | -147.5 | -175.5 | -173.9 | -155.5 | 2.2 | 105.7 | ||||
| 631 | T | 39.5 | Very low | 45 | Very low | 133 Ų | 133 | 119 Ų | 119 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 70.9 | 145.8 | 165.4 | -43.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 632 | G | 39.9 | Very low | 45.4 | Very low | 61 Ų | 61 | 123.7 Ų | 123.7 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | cis | 171.3 | -168.9 | -10 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 633 | S | 43.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 47.4 | 91.6 | 162.9 | 57.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 634 | Q | 46.1 | Very low | 45.3 | Very low | 198 Ų | 198 | 122.6 Ų | 122.6 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | 42.5 | 126 | 121.7 | -168.6 | 176.1 | 9 | 0 | 0 | 121 | |||||
| 635 | G | 49 | Very low | 45.6 | Very low | 63 Ų | 63 | 125.2 Ų | 125.2 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -130.4 | 155.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 636 | P | 48.3 | Very low | 46.4 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 164.7 | -172.2 | 31.8 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 637 | V | 53.2 | Low | 47.3 | Very low | 151 Ų | 151 | 128 Ų | 128 | 92% | 0.915 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.7 | -175.6 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 638 | G | 50.9 | Low | 47.9 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86 | 153.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 639 | E | 45.5 | Very low | 48 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 155.2 | -174.9 | -62.9 | -175.4 | 125.8 | 0 | 0 | 113.3 | G641 | E639-G641 PolarHBondContact O-N 3.26Å; E639-G641 VanDerWaalsContact O-N 3.12Å |
| 640 | P | 53.8 | Low | 48.8 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -62.2 | 115.5 | -175.1 | -23.1 | 34.5 | 0 | 0 | 0 | 113 | ||||
| 641 | G | 48.8 | Very low | 49.1 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -57 | 138.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E639 Q643 | E639-G641 PolarHBondContact O-N 3.26Å; E639-G641 VanDerWaalsContact O-N 3.12Å; G641-Q643 PolarHBondContact O-N 2.97Å | ||
| 642 | I | 48.9 | Very low | 49.8 | Very low | 173 Ų | 173 | 122.3 Ų | 122.3 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | -48.2 | 123.7 | -175 | 49.6 | 173.9 | 0 | 0 | 0 | 112.2 | G644 | I642-G644 PolarHBondContact O-N 2.92Š| ||
| 643 | Q | 45.8 | Very low | 50.3 | Low | 165 Ų | 165 | 122.8 Ų | 122.8 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | -64.1 | 108.7 | 177.7 | 179.7 | 168 | 100.6 | 0 | 0 | 108.9 | G641 | G641-Q643 PolarHBondContact O-N 2.97Š| ||
| 644 | G | 55.9 | Low | 50.8 | Low | 53 Ų | 53 | 123.5 Ų | 123.5 | 55% | 0.546 | 77% | 0.774 | S | S | . | * | trans | -52.4 | 148.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I642 R646 | I642-G644 PolarHBondContact O-N 2.92Å; G644-R646 PolarHBondContact O-N 3.34Å | ||
| 645 | P | 47.3 | Very low | 51.7 | Low | 134 Ų | 134 | 119.8 Ų | 119.8 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -51.3 | 115 | -165.7 | 20 | -33.2 | 0 | 0 | 0 | 110.7 | G647 | P645-G647 PolarHBondContact O-N 2.95Š| ||
| 646 | R | 50.8 | Low | 51.8 | Low | 202 Ų | 202 | 120.1 Ų | 120.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -50.3 | 111.4 | -174.9 | -179 | 177.9 | -177.7 | 173.1 | 1.7 | 109 | G644 L648 | G644-R646 PolarHBondContact O-N 3.34Å; R646-L648 PolarHBondContact O-N 3.18Å | ||
| 647 | G | 54.5 | Low | 51.9 | Low | 61 Ų | 61 | 120.1 Ų | 120.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -49.9 | 136.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P645 | P645-G647 PolarHBondContact O-N 2.95Š| ||
| 648 | L | 51.4 | Low | 52.5 | Low | 167 Ų | 167 | 118.2 Ų | 118.2 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -45.4 | 129.9 | -178 | -78.2 | 168.1 | 0 | 0 | 0 | 109.2 | R646 G650 | R646-L648 PolarHBondContact O-N 3.18Å; L648-G650 PolarHBondContact O-N 3.44Å; L648-G650 VanDerWaalsContact O-N 3.07Å | ||
| 649 | P | 52.3 | Low | 52.7 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 123.2 | 178.8 | -27.5 | 34.6 | 0 | 0 | 0 | 109.5 | L651 | P649-L651 PolarHBondContact O-N 2.98Å; P649-L651 VanDerWaalsContact O-N 3.16Å |
| 650 | G | 51.7 | Low | 53 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108 | L648 | L648-G650 PolarHBondContact O-N 3.44Å; L648-G650 VanDerWaalsContact O-N 3.07Å |
| 651 | L | 53.6 | Low | 53.1 | Low | 164 Ų | 164 | 119.1 Ų | 119.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 131.2 | -178.5 | -75.3 | 167.9 | 0 | 0 | 0 | 108.6 | P649 G653 | P649-L651 PolarHBondContact O-N 2.98Å; P649-L651 VanDerWaalsContact O-N 3.16Å; L651-G653 PolarHBondContact O-N 3.44Å; L651-G653 VanDerWaalsContact O-N 3.09Å |
| 652 | P | 54.7 | Low | 53 | Low | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 123.3 | 178.6 | -28 | 34.9 | 0 | 0 | 0 | 109.7 | T654 | P652-T654 PolarHBondContact O-N 2.79Å; P652-T654 VanDerWaalsContact O-N 3.07Å |
| 653 | G | 51.3 | Low | 53.1 | Low | 71 Ų | 71 | 117.7 Ų | 117.7 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 120.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L651 P655 | L651-G653 PolarHBondContact O-N 3.44Å; L651-G653 VanDerWaalsContact O-N 3.09Å; G653-P655 WeakPolarHBondContact O-CD 3.32Å |
| 654 | T | 53.2 | Low | 53.8 | Low | 128 Ų | 128 | 115.3 Ų | 115.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 123.9 | -175.6 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | P652 G656 | P652-T654 PolarHBondContact O-N 2.79Å; P652-T654 VanDerWaalsContact O-N 3.07Å; T654-G656 PolarHBondContact O-N 2.79Å |
| 655 | P | 63.8 | Low | 53.8 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 131 | 174.2 | -27.6 | 35.4 | 0 | 0 | 0 | 109.9 | G653 T657 | G653-P655 WeakPolarHBondContact O-CD 3.32Å; P655-T657 PolarHBondContact O-N 2.94Å |
| 656 | G | 52.3 | Low | 54 | Low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128 | -180 | 0 | 0 | 0 | 0 | 0 | 110 | T654 P658 | T654-G656 PolarHBondContact O-N 2.79Å; G656-P658 WeakPolarHBondContact O-CD 3.01Å |
| 657 | T | 50 | Low | 54.1 | Low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 123.1 | -176.1 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | P655 | P655-T657 PolarHBondContact O-N 2.94Š|
| 658 | P | 66.4 | Low | 54 | Low | 111 Ų | 111 | 120.5 Ų | 120.5 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56 | 152.1 | 163.6 | -22.6 | 34.7 | 0 | 0 | 0 | 110.7 | G656 | G656-P658 WeakPolarHBondContact O-CD 3.01Š|
| 659 | G | 55.1 | Low | 53.9 | Low | 78 Ų | 78 | 122.3 Ų | 122.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 660 | N | 51.6 | Low | 54.1 | Low | 162 Ų | 162 | 123.8 Ų | 123.8 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -90.8 | 112.5 | 178.2 | -60.8 | -63.5 | 0 | 0 | 0 | 110.5 | ||||
| 661 | D | 56 | Low | 53.9 | Low | 162 Ų | 162 | 123.8 Ų | 123.8 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 153.1 | 157.2 | -78.4 | -45.9 | 0 | 0 | 0 | 110.6 | ||
| 662 | G | 47 | Very low | 53.6 | Low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 139.4 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 663 | V | 50.7 | Low | 53.9 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88 | 126.3 | 177.1 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 664 | P | 59.6 | Low | 53.8 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.4 | 170.9 | -26.2 | 36 | 0 | 0 | 0 | 112.8 | ||
| 665 | G | 55.7 | Low | 53.5 | Low | 79 Ų | 79 | 123.9 Ų | 123.9 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 150.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 666 | R | 51.4 | Low | 52.6 | Low | 248 Ų | 248 | 124.2 Ų | 124.2 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 140.9 | 170.9 | -75.9 | -178.5 | 165.3 | -173.6 | -5.7 | 110.7 | ||
| 667 | D | 53.1 | Low | 51.9 | Low | 162 Ų | 162 | 124.2 Ų | 124.2 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 142.2 | 177.3 | -61.3 | -68.5 | 0 | 0 | 0 | 113.2 | ||
| 668 | G | 53 | Low | 51.4 | Low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 669 | K | 50 | Low | 50.2 | Low | 204 Ų | 204 | 126.3 Ų | 126.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 139.3 | 169.3 | -64.9 | -174.2 | 179.1 | -173 | 0 | 109.6 | G671 | K669-G671 PolarHBondContact O-N 3.13Š|
| 670 | P | 55.3 | Low | 49.2 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138.4 | 176.8 | -28.2 | 35.6 | 0 | 0 | 0 | 113 | ||
| 671 | G | 48.3 | Very low | 48.3 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 149.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K669 | K669-G671 PolarHBondContact O-N 3.13Š|
| 672 | L | 47.8 | Very low | 47.2 | Very low | 169 Ų | 169 | 128 Ų | 128 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.1 | 174.4 | -67.9 | 167.9 | 0 | 0 | 0 | 110.4 | ||
| 673 | P | 59.9 | Low | 46.9 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 139.4 | 169.1 | -24.4 | 34.5 | 0 | 0 | 0 | 111.7 | ||
| 674 | G | 49.7 | Very low | 45.9 | Very low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 151.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 675 | P | 46.1 | Very low | 44.4 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.4 | 179 | 27.6 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 676 | P | 45.9 | Very low | 43.2 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.3 | 160.8 | -20.7 | 33.5 | 0 | 0 | 0 | 110.4 | ||
| 677 | G | 38 | Very low | 42.4 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 140.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P679 | G677-P679 WeakPolarHBondContact O-CD 3.3Š|
| 678 | D | 38.6 | Very low | 41.5 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 126.7 | 178.2 | -64 | -56.7 | 0 | 0 | 0 | 112.9 | ||
| 679 | P | 41.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 136.8 | 159.9 | 33 | -30.8 | 0 | 0 | 0 | 110.9 | G677 | G677-P679 WeakPolarHBondContact O-CD 3.3Š|
| 680 | I | 35 | Very low | 39.7 | Very low | 175 Ų | 175 | 118.5 Ų | 118.5 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 120 | -175.2 | -60.3 | 168.1 | 0 | 0 | 0 | 111.4 | ||
| 681 | A | 32.5 | Very low | 38.6 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | -155.6 | 127.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 682 | L | 33.4 | Very low | 37.7 | Very low | 168 Ų | 168 | 117.8 Ų | 117.8 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | trans | -106.1 | 173.8 | 156.4 | -76.8 | 168.6 | 0 | 0 | 0 | 107.2 | ||||
| 683 | P | 40.4 | Very low | 36.9 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | cis | -138.2 | 174.9 | 0.5 | 28.6 | -4.9 | 0 | 0 | 0 | 116.9 | ||||
| 684 | L | 28.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | 68.8 | 147.4 | 139.9 | -78.8 | 163.8 | 0 | 0 | 0 | 124.3 | ||||
| 685 | L | 28.8 | Very low | 34.7 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | trans | 79.5 | 139 | 150.4 | -120.2 | 70.9 | 0 | 0 | 0 | 120.7 | ||||
| 686 | G | 30.5 | Very low | 33.7 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | 139.3 | 105.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 687 | D | 34.1 | Very low | 32.9 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -93.6 | 151.9 | 179.4 | -88.4 | -61 | 0 | 0 | 0 | 114.3 | ||||
| 688 | I | 35.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | 36.6 | 117.7 | 145 | -54.4 | 171.5 | 0 | 0 | 0 | 118.4 | ||||
| 689 | G | 30.7 | Very low | 32.2 | Very low | 27 Ų | 27 | 125.2 Ų | 125.2 | 28% | 0.278 | 74% | 0.737 | S | S | . | * | trans | -142.6 | 1.7 | -179 | 0 | 0 | 0 | 0 | 0 | 120.2 | P1119 | G689-P1119 CarbonylContact C-O 3.35Å; G689-P1119 WeakPolarHBondContact CA-O 3.05Å; G689-P1119 CarbonylContact O-C 3.51Å; G689-P1119 WeakPolarHBondContact O-CA 3.26Å; G689-P1119 WeakPolarHBondContact O-CB 3.14Å; G689-P1119 VanDerWaalsContact O-CG 3.22Å; G689-P1119 WeakPolarHBondContact O-CG 3.35Å | ||
| 690 | A | 33.9 | Very low | 32.2 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 54% | 0.537 | 74% | 0.741 | S | S | . | * | trans | 57.3 | 176.5 | 154 | 0 | 0 | 0 | 0 | 0 | 122.5 | G1121 | A690-G1121 VanDerWaalsContact CB-N 3.31Š| ||
| 691 | L | 33.1 | Very low | 31.8 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 52% | 0.524 | 73% | 0.733 | S | S | . | * | trans | -77.9 | 176.1 | -161.6 | -52.6 | -44.4 | 0 | 0 | 0 | 117.4 | G1121 | L691-G1121 VanDerWaalsContact N-CA 3.35Å; L691-G1121 WeakPolarHBondContact O-CA 3.06Å | ||
| 692 | L | 28.2 | Very low | 31.7 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 43% | 0.429 | 74% | 0.735 | S | S | . | * | trans | 99.6 | 144.1 | 163.6 | -59.1 | 152.6 | 0 | 0 | 0 | 115.8 | R1122 | L692-R1122 HydrophobicContact CD1-CB 4Å; L692-R1122 HydrophobicContact CD1-CG 3.79Å; L692-R1122 VanDerWaalsContact CD1-CZ 3.47Å; L692-R1122 HydrophobicContact CD2-CB 4.16Å; L692-R1122 HydrophobicContact CD2-CG 4.47Å; L692-R1122 HydrophobicContact CG-CB 4.32Å | ||
| 693 | K | 31.8 | Very low | 31.7 | Very low | 168 Ų | 168 | 123.6 Ų | 123.6 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | cis | -142.7 | 140.8 | 26.4 | -161.6 | -179.3 | -179 | -173.6 | 0 | 112.1 | ||||
| 694 | N | 33 | Very low | 31.8 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | trans | 19.4 | 121.4 | 162.8 | -59.1 | 19.5 | 0 | 0 | 0 | 120.6 | ||||
| 695 | F | 29.1 | Very low | 32 | Very low | 208 Ų | 208 | 120.7 Ų | 120.7 | 91% | 0.912 | 73% | 0.734 | S | S | * | * | 26 | 109.3 | 122.1 | -87.2 | -96.8 | 0 | 0 | 0 | 118.8 | |||||
| 696 | C | 25.8 | Very low | 32 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | -152.4 | 154.2 | 114.2 | -107.6 | 0 | 0 | 0 | 0 | 108 | |||||
| 697 | G | 29 | Very low | 32 | Very low | 63 Ų | 63 | 125.3 Ų | 125.3 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | cis | 105.7 | 112.2 | 15.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 698 | N | 36.9 | Very low | 32 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -52.1 | 139.1 | -171.8 | -62.7 | -10 | 0 | 0 | 0 | 113.3 | ||||
| 699 | C | 25.6 | Very low | 32.1 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 94% | 0.939 | 73% | 0.726 | S | S | * | * | -164.1 | 162.8 | 120.6 | -115.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 700 | Q | 40.3 | Very low | 32.2 | Very low | 188 Ų | 188 | 129.2 Ų | 129.2 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -122.7 | 123.7 | -174.7 | 168.6 | -176.1 | -8.7 | 0 | 0 | 108.5 | ||||
| 701 | A | 27.2 | Very low | 32.3 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 180 | 133.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 702 | S | 29.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 36.7 | 127 | 143 | 60.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 703 | V | 34.1 | Very low | 32.8 | Very low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -75.4 | 167.3 | 156.8 | -144.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 704 | P | 41.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | -155.2 | 158.6 | 97.7 | 39 | -20.5 | 0 | 0 | 0 | 118.6 | |||||
| 705 | G | 32.8 | Very low | 32.8 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 100.5 | 144 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 706 | L | 30.2 | Very low | 32.9 | Very low | 159 Ų | 159 | 125 Ų | 125 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | cis | -160.1 | 145.4 | -1.1 | -116.8 | 171.7 | 0 | 0 | 0 | 111.7 | ||||
| 707 | K | 30.8 | Very low | 33.3 | Very low | 186 Ų | 186 | 122.2 Ų | 122.2 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | 68.4 | 149.4 | 167.6 | -62.1 | -173.5 | 179.3 | 179 | 0 | 117.5 | ||||
| 708 | S | 33 | Very low | 33.9 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | cis | -178.8 | 151.4 | -16.2 | -95.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 709 | N | 36.4 | Very low | 34.3 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | cis | -152.3 | 168.1 | -12.6 | -75.2 | -24.8 | 0 | 0 | 0 | 105.2 | ||||
| 710 | K | 33.4 | Very low | 34.6 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -127.2 | -150.6 | 5.1 | -135.7 | -165.9 | 176.8 | -165 | 0 | 107 | E712 | K710-E712 VanDerWaalsContact CE-CD 3.4Å; K710-E712 WeakPolarHBondContact CE-OE1 3.17Å; K710-E712 WeakPolarHBondContact CE-OE2 3.48Å; K710-E712 IonicContact NZ-OE1 2.64Å; K710-E712 PolarHBondContact NZ-OE1 2.77Å; K710-E712 IonicContact NZ-OE2 2.66Å; K710-E712 PolarHBondContact NZ-OE2 3.32Å | ||
| 711 | G | 37 | Very low | 34.5 | Very low | 62 Ų | 62 | 122.5 Ų | 122.5 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 146.2 | 139.3 | -11.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 712 | E | 36 | Very low | 34.8 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | cis | -145.2 | 158.5 | -1.6 | -90.5 | 150.4 | 152.4 | 0 | 0 | 110.1 | K710 | K710-E712 VanDerWaalsContact CE-CD 3.4Å; K710-E712 WeakPolarHBondContact CE-OE1 3.17Å; K710-E712 WeakPolarHBondContact CE-OE2 3.48Å; K710-E712 IonicContact NZ-OE1 2.64Å; K710-E712 PolarHBondContact NZ-OE1 2.77Å; K710-E712 IonicContact NZ-OE2 2.66Å; K710-E712 PolarHBondContact NZ-OE2 3.32Å | ||
| 713 | E | 34.3 | Very low | 35.1 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | 25.6 | 154.6 | 144.7 | -54.3 | 176.1 | 156.9 | 0 | 0 | 121.6 | ||||
| 714 | G | 33.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | cis | 144 | 149 | 4.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 715 | G | 32.8 | Very low | 35.4 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -177.9 | 154.1 | -8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 716 | A | 30.8 | Very low | 36 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | 32.4 | 114.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 717 | G | 32.7 | Very low | 36.5 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 72.4 | 106.7 | 112.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 718 | E | 43 | Very low | 36.9 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | 61.6 | 170.7 | 149.6 | -68.1 | -145.9 | 121 | 0 | 0 | 119 | ||||
| 719 | P | 44.6 | Very low | 37.5 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -131 | -174.4 | 0.1 | 43.1 | -27.6 | 0 | 0 | 0 | 115.4 | ||||
| 720 | G | 32.5 | Very low | 37.7 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 143.6 | 127.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 721 | K | 37.7 | Very low | 38.2 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.726 | 80% | 0.796 | S | S | * | * | trans | -83.5 | 158.9 | 173 | -62 | 176.2 | 176 | 179.6 | 0 | 112.8 | ||||
| 722 | Y | 34 | Very low | 38.9 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | 170 | 126.8 | 102.9 | -90 | -66.3 | 0 | 0 | 0 | 115.3 | |||||
| 723 | D | 35.7 | Very low | 39.4 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 36.4 | 117.1 | 140.8 | -54.7 | -3.7 | 0 | 0 | 0 | 125.1 | ||||
| 724 | S | 42.4 | Very low | 40.6 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | 38 | 128.4 | 134.9 | 69.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 725 | M | 38.7 | Very low | 41.7 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | -175.4 | 168 | 95.8 | -93.8 | -156.3 | -177.2 | 0 | 0 | 113.3 | |||||
| 726 | A | 46.3 | Very low | 42.4 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -87.6 | 154.9 | -158.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 727 | R | 41.3 | Very low | 43.6 | Very low | 259 Ų | 259 | 140.1 Ų | 140.1 | 98% | 0.977 | 79% | 0.794 | S | S | * | * | trans | -151.8 | 176.7 | 145.5 | -109.4 | 170.7 | -166.1 | -149.9 | 1.9 | 111.2 | ||||
| 728 | K | 37.7 | Very low | 44.5 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -122.2 | 137.3 | -147.6 | 172.4 | -165 | 172.6 | -170 | 0 | 114.7 | ||||
| 729 | G | 46.3 | Very low | 44.7 | Very low | 55 Ų | 55 | 138.6 Ų | 138.6 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | trans | 100.9 | 124 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 730 | D | 40.7 | Very low | 45.2 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 52.3 | 139.7 | 147.1 | -43.2 | -38.6 | 0 | 0 | 0 | 118.9 | ||||
| 731 | I | 44.1 | Very low | 46.2 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | cis | -139.7 | 145.8 | 38.8 | -68.4 | 161.7 | 0 | 0 | 0 | 110.5 | ||||
| 732 | G | 51.2 | Low | 46.9 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 733 | P | 47.1 | Very low | 47.9 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 140.3 | -177 | 27.4 | -34.4 | 0 | 0 | 0 | 112.8 | G735 | P733-G735 PolarHBondContact O-N 3.34Š|
| 734 | R | 58.9 | Low | 48.7 | Very low | 247 Ų | 247 | 138.7 Ų | 138.7 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 126.8 | 179.8 | -176.6 | 178.2 | -178.1 | 171.7 | 0.8 | 111 | ||
| 735 | G | 56.7 | Low | 49.1 | Very low | 56 Ų | 56 | 140 Ų | 140 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 149.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | P733 | P733-G735 PolarHBondContact O-N 3.34Š|
| 736 | P | 48.2 | Very low | 50.1 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 155.1 | -176.5 | 27.4 | -35 | 0 | 0 | 0 | 112.4 | ||
| 737 | P | 55.2 | Low | 50.4 | Low | 127 Ų | 127 | 139.8 Ų | 139.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.9 | -177 | -23.2 | 34.4 | 0 | 0 | 0 | 113.6 | ||
| 738 | G | 52.3 | Low | 50.7 | Low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 137 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 739 | I | 47 | Very low | 51.6 | Low | 161 Ų | 161 | 133 Ų | 133 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 131.5 | 179.6 | -54.9 | 173.7 | 0 | 0 | 0 | 109 | G741 | I739-G741 PolarHBondContact O-N 2.71Š|
| 740 | P | 56.1 | Low | 51.9 | Low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.4 | 177.2 | -27.3 | 35.6 | 0 | 0 | 0 | 112.8 | R742 | P740-R742 PolarHBondContact O-N 3.08Š|
| 741 | G | 53.7 | Low | 52.2 | Low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I739 | I739-G741 PolarHBondContact O-N 2.71Š|
| 742 | R | 52.1 | Low | 52.7 | Low | 245 Ų | 245 | 139 Ų | 139 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 141.9 | 171.5 | -69.6 | -176.1 | 172.1 | -165.7 | -3.4 | 109.8 | P740 | P740-R742 PolarHBondContact O-N 3.08Š|
| 743 | E | 54.8 | Low | 52.8 | Low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 141.7 | 174.3 | -65.4 | -174.3 | 119.3 | 0 | 0 | 111.3 | ||
| 744 | G | 53.1 | Low | 52.7 | Low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K746 | G744-K746 PolarHBondContact O-N 2.78Š|
| 745 | P | 49.3 | Very low | 52.6 | Low | 127 Ų | 127 | 137.4 Ų | 137.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.4 | 177.3 | 26.4 | -33.7 | 0 | 0 | 0 | 110.4 | G747 | P745-G747 PolarHBondContact O-N 3.19Å; P745-G747 VanDerWaalsContact O-N 3.15Å |
| 746 | K | 59.5 | Low | 52.2 | Low | 209 Ų | 209 | 137.9 Ų | 137.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 118 | 176.1 | -174.6 | 175.2 | -176.9 | 175.7 | 0 | 109.5 | G744 S748 | G744-K746 PolarHBondContact O-N 2.78Å; K746-S748 PolarHBondContact O-N 3.23Å |
| 747 | G | 53 | Low | 52.2 | Low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114 | P745 | P745-G747 PolarHBondContact O-N 3.19Å; P745-G747 VanDerWaalsContact O-N 3.15Å |
| 748 | S | 48.8 | Very low | 51.9 | Low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.6 | 171.4 | 43 | 0 | 0 | 0 | 0 | 110.5 | K746 G750 | K746-S748 PolarHBondContact O-N 3.23Å; S748-G750 PolarHBondContact O-N 2.94Å |
| 749 | K | 56.8 | Low | 51.7 | Low | 205 Ų | 205 | 139.2 Ų | 139.2 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.5 | 172.3 | -177 | 177.3 | -179.3 | 177.6 | 0 | 108.2 | E751 | K749-E751 PolarHBondContact O-N 2.81Š|
| 750 | G | 51.8 | Low | 51.5 | Low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53 | 136.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S748 | S748-G750 PolarHBondContact O-N 2.94Š|
| 751 | E | 47.6 | Very low | 51.1 | Low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 144.6 | 177.8 | -62.2 | -175 | 144.3 | 0 | 0 | 110.7 | K749 G753 | K749-E751 PolarHBondContact O-N 2.81Å; E751-G753 PolarHBondContact O-N 2.74Å |
| 752 | R | 54.7 | Low | 50.9 | Low | 242 Ų | 242 | 142.9 Ų | 142.9 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 117.3 | 174.9 | -180 | -178.4 | -68.2 | 173.3 | -2.2 | 108.2 | ||
| 753 | G | 51.8 | Low | 50.5 | Low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 147.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E751 | E751-G753 PolarHBondContact O-N 2.74Š|
| 754 | Y | 45.4 | Very low | 50.4 | Low | 226 Ų | 226 | 138 Ų | 138 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 145.5 | 176.6 | -64.7 | -89.4 | 0 | 0 | 0 | 111.5 | G756 | Y754-G756 PolarHBondContact O-N 2.76Š|
| 755 | P | 56.9 | Low | 50 | Low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.4 | 163.5 | -21.5 | 33.1 | 0 | 0 | 0 | 109.2 | ||
| 756 | G | 48.5 | Very low | 49.7 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 145.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y754 | Y754-G756 PolarHBondContact O-N 2.76Š|
| 757 | I | 47.6 | Very low | 49.2 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 129.4 | 163.5 | 2.2 | 174.7 | 0 | 0 | 0 | 107.8 | G759 | I757-G759 PolarHBondContact O-N 2.84Š|
| 758 | P | 48.9 | Very low | 48.8 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 116.7 | 164.3 | -22.8 | 33.8 | 0 | 0 | 0 | 107.1 | E760 | P758-E760 PolarHBondContact O-N 3.09Š|
| 759 | G | 47.8 | Very low | 48.6 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 142.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I757 K761 | I757-G759 PolarHBondContact O-N 2.84Å; G759-K761 PolarHBondContact O-N 3.04Å |
| 760 | E | 43.8 | Very low | 48.5 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 128.3 | 165.9 | -65.4 | 177.9 | 133.9 | 0 | 0 | 107.5 | P758 G762 | P758-E760 PolarHBondContact O-N 3.09Å; E760-G762 VanDerWaalsContact C-N 3.33Å; E760-G762 PolarHBondContact O-N 2.91Å |
| 761 | K | 47.3 | Very low | 48.1 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 105.5 | 173.3 | -177.9 | -156.7 | 171.9 | -163.8 | 0 | 105.4 | G759 D763 | G759-K761 PolarHBondContact O-N 3.04Å; K761-D763 PolarHBondContact O-N 2.87Å | ||
| 762 | G | 49 | Very low | 48.1 | Very low | 56 Ų | 56 | 135 Ų | 135 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | trans | -51.5 | 142.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111 | E760 | E760-G762 VanDerWaalsContact C-N 3.33Å; E760-G762 PolarHBondContact O-N 2.91Å | ||
| 763 | D | 45.2 | Very low | 48 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -48.5 | 145 | 170 | -58.8 | -60.2 | 0 | 0 | 0 | 109.6 | K761 G765 | K761-D763 PolarHBondContact O-N 2.87Å; D763-G765 PolarHBondContact O-N 2.9Å | ||
| 764 | E | 51 | Low | 47.9 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -59.3 | 114.5 | 172.3 | -70.3 | -176.9 | 166 | 0 | 0 | 108.1 | L766 | E764-L766 PolarHBondContact O-N 2.82Š| ||
| 765 | G | 45 | Very low | 47.9 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -55 | 129.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111 | D763 Q767 | D763-G765 PolarHBondContact O-N 2.9Å; G765-Q767 PolarHBondContact O-N 2.67Å | ||
| 766 | L | 43.4 | Very low | 48 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -43.5 | 118.4 | 179.7 | -72 | 170.8 | 0 | 0 | 0 | 110.1 | E764 G768 | E764-L766 PolarHBondContact O-N 2.82Å; L766-G768 PolarHBondContact O-N 2.96Å; L766-G768 VanDerWaalsContact O-N 3.14Å | ||
| 767 | Q | 48.7 | Very low | 48.2 | Very low | 191 Ų | 191 | 123 Ų | 123 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53 | 123.5 | -178.9 | -171.4 | 177.9 | 29.1 | 0 | 0 | 109.1 | G765 I769 | G765-Q767 PolarHBondContact O-N 2.67Å; Q767-I769 PolarHBondContact O-N 2.9Å |
| 768 | G | 43.8 | Very low | 48.2 | Very low | 65 Ų | 65 | 121 Ų | 121 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L766 P770 | L766-G768 PolarHBondContact O-N 2.96Å; L766-G768 VanDerWaalsContact O-N 3.14Å; G768-P770 VanDerWaalsContact O-CD 3.3Å; G768-P770 WeakPolarHBondContact O-CD 3.18Å; G768-P770 VanDerWaalsContact O-N 3.17Å |
| 769 | I | 46 | Very low | 48.1 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.5 | -174.3 | -55.4 | 171 | 0 | 0 | 0 | 109.3 | Q767 G771 | Q767-I769 PolarHBondContact O-N 2.9Å; I769-G771 PolarHBondContact O-N 2.74Å |
| 770 | P | 54.7 | Low | 48.3 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127.8 | 172.8 | -24.9 | 35.6 | 0 | 0 | 0 | 110.2 | G768 I772 | G768-P770 VanDerWaalsContact O-CD 3.3Å; G768-P770 WeakPolarHBondContact O-CD 3.18Å; G768-P770 VanDerWaalsContact O-N 3.17Å; P770-I772 PolarHBondContact O-N 2.83Å |
| 771 | G | 43.6 | Very low | 48.6 | Very low | 69 Ų | 69 | 116 Ų | 116 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 130 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I769 P773 | I769-G771 PolarHBondContact O-N 2.74Å; G771-P773 WeakPolarHBondContact O-CD 3.41Å |
| 772 | I | 46.8 | Very low | 48.8 | Very low | 157 Ų | 157 | 113.2 Ų | 113.2 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -60.8 | 115.8 | -170.1 | -54.1 | 170.4 | 0 | 0 | 0 | 111.1 | P770 | P770-I772 PolarHBondContact O-N 2.83Š| ||
| 773 | P | 53.7 | Low | 48.7 | Very low | 114 Ų | 114 | 114 Ų | 114 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 139.9 | 168.2 | -15.9 | 32.7 | 0 | 0 | 0 | 110.3 | G771 | G771-P773 WeakPolarHBondContact O-CD 3.41Š|
| 774 | G | 48.4 | Very low | 48.9 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 141.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | P776 | G774-P776 WeakPolarHBondContact O-CD 3.33Š|
| 775 | A | 46.3 | Very low | 48.6 | Very low | 101 Ų | 101 | 114.8 Ų | 114.8 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 126 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 776 | P | 57.9 | Low | 49.1 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69 | 159 | 166.1 | -19.3 | 34 | 0 | 0 | 0 | 112.8 | G774 | G774-P776 WeakPolarHBondContact O-CD 3.33Š|
| 777 | G | 53.6 | Low | 49 | Very low | 55 Ų | 55 | 116.6 Ų | 116.6 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 158.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | T779 | G777-T779 PolarHBondContact O-N 2.87Š|
| 778 | P | 46.9 | Very low | 49.1 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -85.6 | 96.2 | -166 | 33.4 | -36.2 | 0 | 0 | 0 | 114.1 | ||||
| 779 | T | 48.1 | Very low | 49.3 | Very low | 98 Ų | 98 | 113.3 Ų | 113.3 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 136.2 | 171.7 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | P386 G777 | P386-T779 HydrophobicContact CB-CG2 4.42Å; G777-T779 PolarHBondContact O-N 2.87Å |
| 780 | G | 51.2 | Low | 49 | Very low | 47 Ų | 47 | 112.7 Ų | 112.7 | 49% | 0.485 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 161.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P782 | G780-P782 VanDerWaalsContact O-CD 3.31Å; G780-P782 WeakPolarHBondContact O-CD 3.46Å |
| 781 | P | 49.5 | Very low | 49.3 | Very low | 131 Ų | 131 | 113.2 Ų | 113.2 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 121.1 | -161.8 | 31 | -35.6 | 0 | 0 | 0 | 115 | ||
| 782 | P | 52.3 | Low | 49.7 | Very low | 124 Ų | 124 | 113 Ų | 113 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 162.2 | 159.9 | -9.1 | 29.1 | 0 | 0 | 0 | 111 | G780 | G780-P782 VanDerWaalsContact O-CD 3.31Å; G780-P782 WeakPolarHBondContact O-CD 3.46Å |
| 783 | G | 47.1 | Very low | 49.9 | Very low | 74 Ų | 74 | 111.6 Ų | 111.6 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 156.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | L785 | G783-L785 PolarHBondContact O-N 3.38Š|
| 784 | L | 49.3 | Very low | 50.2 | Low | 185 Ų | 185 | 113 Ų | 113 | 97% | 0.969 | 75% | 0.753 | S | S | * | * | trans | -63.6 | 94.4 | -179.6 | -71.9 | 169.5 | 0 | 0 | 0 | 112.6 | ||||
| 785 | L | 44.7 | Very low | 50.1 | Low | 164 Ų | 164 | 112.6 Ų | 112.6 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | -62.8 | 140.5 | 161.4 | -171.2 | 67.5 | 0 | 0 | 0 | 109.7 | G783 R787 | G783-L785 PolarHBondContact O-N 3.38Å; L785-R787 PolarHBondContact O-N 3.21Å | ||
| 786 | G | 54.8 | Low | 50.3 | Low | 62 Ų | 62 | 112.7 Ų | 112.7 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | trans | -55.8 | 126.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T788 | G786-T788 PolarHBondContact O-N 3.45Š| ||
| 787 | R | 41.3 | Very low | 50.4 | Low | 221 Ų | 221 | 116.5 Ų | 116.5 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 104.8 | -174.2 | -169.6 | -177.3 | -168.2 | -160.7 | 4 | 110.8 | L785 | L785-R787 PolarHBondContact O-N 3.21Š| ||
| 788 | T | 51.8 | Low | 50.1 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 141.3 | 174.7 | -36.9 | 0 | 0 | 0 | 0 | 110.6 | G786 H790 | G786-T788 PolarHBondContact O-N 3.45Å; T788-H790 PolarHBondContact O-N 2.04Å |
| 789 | G | 48.3 | Very low | 50.1 | Low | 62 Ų | 62 | 120.5 Ų | 120.5 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 790 | H | 39.8 | Very low | 50.7 | Low | 141 Ų | 141 | 123.8 Ų | 123.8 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.2 | 173.4 | 4.6 | -67.7 | 0 | 0 | 0 | 108.2 | T788 G792 | T788-H790 PolarHBondContact O-N 2.04Å; H790-G792 PolarHBondContact O-N 3.37Å |
| 791 | P | 59.9 | Low | 50.7 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.4 | 172.4 | -26.5 | 35.2 | 0 | 0 | 0 | 110.4 | ||
| 792 | G | 52.1 | Low | 50.8 | Low | 63 Ų | 63 | 123.8 Ų | 123.8 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 142.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | H790 T794 | H790-G792 PolarHBondContact O-N 3.37Å; G792-T794 PolarHBondContact O-N 3.29Å |
| 793 | P | 50.5 | Low | 50.9 | Low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.2 | 178.6 | 26.2 | -34.2 | 0 | 0 | 0 | 110.2 | G795 | P793-G795 PolarHBondContact O-N 3.35Š|
| 794 | T | 59.4 | Low | 51 | Low | 142 Ų | 142 | 123.5 Ų | 123.5 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122.9 | 178.2 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | G792 A796 | G792-T794 PolarHBondContact O-N 3.29Å; T794-A796 PolarHBondContact O-N 2.97Å |
| 795 | G | 48.2 | Very low | 50.9 | Low | 66 Ų | 66 | 120.5 Ų | 120.5 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P793 K797 | P793-G795 PolarHBondContact O-N 3.35Å; G795-K797 PolarHBondContact O-N 3.29Å |
| 796 | A | 49.5 | Very low | 51.6 | Low | 103 Ų | 103 | 118.6 Ų | 118.6 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T794 G798 | T794-A796 PolarHBondContact O-N 2.97Å; A796-G798 PolarHBondContact O-N 3.2Å |
| 797 | K | 59.8 | Low | 51.4 | Low | 205 Ų | 205 | 119.1 Ų | 119.1 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.1 | 173.7 | -177.8 | -179.8 | 178.7 | -178.9 | 0 | 108.2 | G795 E799 | G795-K797 PolarHBondContact O-N 3.29Å; K797-E799 PolarHBondContact O-N 3.49Å |
| 798 | G | 48.1 | Very low | 51.7 | Low | 68 Ų | 68 | 118 Ų | 118 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A796 | A796-G798 PolarHBondContact O-N 3.2Š|
| 799 | E | 47.3 | Very low | 52 | Low | 193 Ų | 193 | 118 Ų | 118 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 135.2 | 178.3 | -63.5 | -176.1 | 153.5 | 0 | 0 | 110.2 | K797 G801 | K797-E799 PolarHBondContact O-N 3.49Å; E799-G801 PolarHBondContact O-N 3.06Å |
| 800 | K | 59.8 | Low | 52 | Low | 166 Ų | 166 | 118 Ų | 118 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 118.3 | 171.2 | -173.3 | -157.8 | 175.1 | -141.7 | 0 | 107.2 | S802 D803 | K800-S802 PolarHBondContact O-N 2.65Å; K800-D803 IonicContact NZ-OD1 2.87Å; K800-D803 IonicContact NZ-OD2 3.81Å; K800-D803 PolarHBondContact NZ-OD2 2.81Å |
| 801 | G | 50.8 | Low | 52.4 | Low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 133.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E799 D803 | E799-G801 PolarHBondContact O-N 3.06Å; G801-D803 PolarHBondContact O-N 3.17Å |
| 802 | S | 51.4 | Low | 52.5 | Low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.7 | -178.7 | 56.3 | 0 | 0 | 0 | 0 | 111 | K800 G804 | K800-S802 PolarHBondContact O-N 2.65Å; S802-G804 PolarHBondContact O-N 2.68Å |
| 803 | D | 55.9 | Low | 52.4 | Low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 132.4 | 173.4 | -65.7 | -68.3 | 0 | 0 | 0 | 110 | K800 G801 | K800-D803 IonicContact NZ-OD1 2.87Å; K800-D803 IonicContact NZ-OD2 3.81Å; K800-D803 PolarHBondContact NZ-OD2 2.81Å; G801-D803 PolarHBondContact O-N 3.17Å |
| 804 | G | 47.4 | Very low | 52.1 | Low | 62 Ų | 62 | 114.8 Ų | 114.8 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64 | 150.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | S802 | S802-G804 PolarHBondContact O-N 2.68Š|
| 805 | P | 48.6 | Very low | 51.8 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139 | -179.5 | 25.6 | -34.3 | 0 | 0 | 0 | 110.5 | G807 | P805-G807 PolarHBondContact O-N 3.03Š|
| 806 | P | 58.8 | Low | 51.6 | Low | 124 Ų | 124 | 114.1 Ų | 114.1 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 135.3 | 179.7 | -28.8 | 35.6 | 0 | 0 | 0 | 112.5 | K808 | P806-K808 PolarHBondContact O-N 3.09Š|
| 807 | G | 49.9 | Very low | 51.4 | Low | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P805 | P805-G807 PolarHBondContact O-N 3.03Š|
| 808 | K | 48.8 | Very low | 50.6 | Low | 199 Ų | 199 | 112.9 Ų | 112.9 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133 | 179.6 | -65.1 | -175.9 | 179.9 | -178.2 | 0 | 109.5 | P806 G810 | P806-K808 PolarHBondContact O-N 3.09Å; K808-G810 PolarHBondContact O-N 3.24Å |
| 809 | P | 58.3 | Low | 50 | Low | 123 Ų | 123 | 118.4 Ų | 118.4 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 140.8 | 173 | -26.8 | 35.1 | 0 | 0 | 0 | 111.4 | ||
| 810 | G | 48 | Very low | 49.7 | Very low | 62 Ų | 62 | 117 Ų | 117 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K808 | K808-G810 PolarHBondContact O-N 3.24Š|
| 811 | P | 47.1 | Very low | 48.7 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 144.7 | 175.4 | 27.1 | -34.3 | 0 | 0 | 0 | 110.5 | ||
| 812 | P | 62.9 | Low | 47.9 | Very low | 126 Ų | 126 | 118 Ų | 118 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142.3 | 173.8 | -24.7 | 34.6 | 0 | 0 | 0 | 111.8 | ||
| 813 | G | 49.1 | Very low | 47 | Very low | 63 Ų | 63 | 120.8 Ų | 120.8 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62 | 150.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 814 | P | 44.9 | Very low | 46.1 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 54% | 0.539 | 77% | 0.773 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 139.7 | -178.7 | 24.9 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 815 | P | 53.9 | Low | 45.3 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 140.4 | 177.6 | -25 | 34.7 | 0 | 0 | 0 | 112.9 | ||
| 816 | G | 43 | Very low | 45 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | P818 | G816-P818 WeakPolarHBondContact O-CD 3.04Š|
| 817 | I | 44.6 | Very low | 44 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.5 | -176.7 | -49.4 | 173.8 | 0 | 0 | 0 | 109.6 | F819 | I817-F819 PolarHBondContact O-N 2.87Š|
| 818 | P | 43.4 | Very low | 43.3 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 124.3 | 171.7 | -18.6 | 32.7 | 0 | 0 | 0 | 110.8 | G816 | G816-P818 WeakPolarHBondContact O-CD 3.04Š|
| 819 | F | 36.4 | Very low | 42.8 | Very low | 184 Ų | 184 | 126.4 Ų | 126.4 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 130.1 | 171.3 | -159.2 | -91.2 | 0 | 0 | 0 | 108.9 | I817 E821 | I817-F819 PolarHBondContact O-N 2.87Å; F819-E821 HydrophobicContact CD1-CG 4.35Å; F819-E821 HydrophobicContact CE1-CG 4.05Å |
| 820 | N | 40.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -143.4 | 135.9 | 171.5 | -121.8 | 8.5 | 0 | 0 | 0 | 108.8 | ||||
| 821 | E | 37.7 | Very low | 41.1 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 150.8 | -164.5 | -60.6 | 177.7 | 118.2 | 0 | 0 | 113.4 | F819 | F819-E821 HydrophobicContact CD1-CG 4.35Å; F819-E821 HydrophobicContact CE1-CG 4.05Å | ||
| 822 | G | 34.3 | Very low | 40.5 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -179.6 | 82.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 823 | N | 34.1 | Very low | 39.2 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | 59.2 | 117.3 | 159.9 | -61.1 | -20.8 | 0 | 0 | 0 | 119.7 | ||||
| 824 | G | 35.3 | Very low | 38.5 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 172.8 | 84.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 825 | M | 31.2 | Very low | 38 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -62.6 | 151.8 | 164.9 | -85.3 | 176.1 | 175.6 | 0 | 0 | 111.2 | ||||
| 826 | S | 42.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | cis | -159.6 | 148.5 | 13 | -112.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 827 | S | 37.2 | Very low | 37.4 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 38.9 | 121.9 | 140.4 | -55.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 828 | L | 36.7 | Very low | 37.3 | Very low | 147 Ų | 147 | 141 Ų | 141 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | -158.9 | 145.8 | 104 | -130.9 | 64.5 | 0 | 0 | 0 | 113.6 | |||||
| 829 | Y | 36.9 | Very low | 37 | Very low | 211 Ų | 211 | 140.9 Ų | 140.9 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 56.5 | 102.9 | 172.5 | -66.7 | -68 | 0 | 0 | 0 | 121.6 | ||||
| 830 | K | 35.9 | Very low | 37.4 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -65.9 | 167.8 | 154.7 | -68.2 | 172.5 | 170.5 | 168.8 | 0 | 110.9 | ||||
| 831 | I | 36.3 | Very low | 37.9 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | -156.9 | 155.9 | 92 | -89.7 | 156.2 | 0 | 0 | 0 | 112.3 | |||||
| 832 | K | 33.7 | Very low | 38.5 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -50.9 | 155.5 | -178.9 | -49.4 | 164.9 | -177.8 | 176.3 | 0 | 114 | ||||
| 833 | G | 34.7 | Very low | 39 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | 139.5 | 147.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 834 | G | 34.9 | Very low | 40 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 90.1 | 113.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 835 | V | 35.5 | Very low | 40.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -178.2 | 144.6 | 136.8 | 144.5 | 0 | 0 | 0 | 0 | 108 | V837 | V835-V837 HydrophobicContact CG1-CG2 4.37Š| ||
| 836 | N | 44.4 | Very low | 41.5 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -84.2 | 128.9 | 179.1 | -70.9 | -51.7 | 0 | 0 | 0 | 112.1 | ||||
| 837 | V | 38.8 | Very low | 42.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | trans | -142 | 138.8 | 163.1 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | V835 | V835-V837 HydrophobicContact CG1-CG2 4.37Š| ||
| 838 | P | 42.6 | Very low | 43 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 146.4 | -176.2 | -24.8 | 35.5 | 0 | 0 | 0 | 114.6 | Y840 | P838-Y840 PolarHBondContact O-N 2.95Š| ||
| 839 | S | 37.9 | Very low | 43.9 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -73.4 | 109.4 | 170.7 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 840 | Y | 44.3 | Very low | 44.8 | Very low | 201 Ų | 201 | 128.1 Ų | 128.1 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.6 | 173.4 | -73.3 | -94.4 | 0 | 0 | 0 | 111.4 | P838 | P838-Y840 PolarHBondContact O-N 2.95Š|
| 841 | P | 51.8 | Low | 45.5 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 144.4 | 163.9 | -22.3 | 33.7 | 0 | 0 | 0 | 110.8 | ||
| 842 | G | 48.9 | Very low | 46.2 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 145.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 843 | P | 45.1 | Very low | 47.6 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.4 | -178.2 | 25.1 | -34.3 | 0 | 0 | 0 | 110.7 | G845 | P843-G845 PolarHBondContact O-N 2.85Š|
| 844 | P | 55 | Low | 48.5 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 136.3 | 174.9 | -26.6 | 34.8 | 0 | 0 | 0 | 111.2 | ||
| 845 | G | 49.5 | Very low | 49.6 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P843 | P843-G845 PolarHBondContact O-N 2.85Š|
| 846 | P | 50 | Low | 50.7 | Low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.1 | -175.6 | 23.5 | -33.8 | 0 | 0 | 0 | 110.3 | G848 | P846-G848 PolarHBondContact O-N 3.23Š|
| 847 | P | 60.2 | Low | 51.1 | Low | 127 Ų | 127 | 114 Ų | 114 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128.4 | 176.9 | -27.7 | 35.1 | 0 | 0 | 0 | 110.6 | ||
| 848 | G | 49.2 | Very low | 51.6 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 142.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P846 K850 | P846-G848 PolarHBondContact O-N 3.23Å; G848-K850 PolarHBondContact O-N 2.88Å; G848-K850 VanDerWaalsContact O-N 3.11Å |
| 849 | P | 57.3 | Low | 52.8 | Low | 130 Ų | 130 | 118.2 Ų | 118.2 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.9 | -174.7 | 22.1 | -33.3 | 0 | 0 | 0 | 109.6 | G851 | P849-G851 PolarHBondContact O-N 2.97Š|
| 850 | K | 55.7 | Low | 53.5 | Low | 198 Ų | 198 | 116.1 Ų | 116.1 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 117.9 | 177.1 | -180 | -178.8 | 178.3 | -178.7 | 0 | 107.5 | G848 D852 | G848-K850 PolarHBondContact O-N 2.88Å; G848-K850 VanDerWaalsContact O-N 3.11Å; K850-D852 PolarHBondContact O-N 3.43Å |
| 851 | G | 50 | Low | 53.7 | Low | 61 Ų | 61 | 111.4 Ų | 111.4 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P849 | P849-G851 PolarHBondContact O-N 2.97Š|
| 852 | D | 50.7 | Low | 53.6 | Low | 154 Ų | 154 | 114.4 Ų | 114.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 139.3 | -176.3 | -65.7 | -65.1 | 0 | 0 | 0 | 110.8 | K850 G854 | K850-D852 PolarHBondContact O-N 3.43Å; D852-G854 PolarHBondContact O-N 2.9Å; D852-G854 VanDerWaalsContact O-N 3.11Å |
| 853 | P | 63 | Low | 53.6 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -52 | 123.7 | 174.2 | -25.1 | 34.2 | 0 | 0 | 0 | 109.9 | ||
| 854 | G | 53.2 | Low | 53.8 | Low | 59 Ų | 59 | 116.6 Ų | 116.6 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 140.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D852 V856 | D852-G854 PolarHBondContact O-N 2.9Å; D852-G854 VanDerWaalsContact O-N 3.11Å; G854-V856 PolarHBondContact O-N 2.69Å; G854-V856 VanDerWaalsContact O-N 3.17Å |
| 855 | P | 58 | Low | 54.2 | Low | 129 Ų | 129 | 116 Ų | 116 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127 | -174.3 | 22.6 | -33.6 | 0 | 0 | 0 | 109.5 | G857 | P855-G857 PolarHBondContact O-N 3.43Š|
| 856 | V | 59.7 | Low | 54.1 | Low | 140 Ų | 140 | 116.5 Ų | 116.5 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.6 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | G854 E858 | G854-V856 PolarHBondContact O-N 2.69Å; G854-V856 VanDerWaalsContact O-N 3.17Å; V856-E858 PolarHBondContact O-N 2.89Å |
| 857 | G | 51.4 | Low | 53.9 | Low | 62 Ų | 62 | 119.2 Ų | 119.2 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.3 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | P855 | P855-G857 PolarHBondContact O-N 3.43Š|
| 858 | E | 50.7 | Low | 53.5 | Low | 186 Ų | 186 | 122.2 Ų | 122.2 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.4 | -177.3 | -65.6 | -169.3 | 142.5 | 0 | 0 | 109.9 | V856 G860 | V856-E858 PolarHBondContact O-N 2.89Å; E858-G860 PolarHBondContact O-N 3.24Å; E858-G860 VanDerWaalsContact O-N 3.08Å |
| 859 | P | 67.6 | Low | 53.5 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 120.2 | 178.7 | -27.9 | 35.4 | 0 | 0 | 0 | 110.6 | A861 | P859-A861 PolarHBondContact O-N 3.45Š|
| 860 | G | 51.7 | Low | 52.5 | Low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 126.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E858 M862 | E858-G860 PolarHBondContact O-N 3.24Å; E858-G860 VanDerWaalsContact O-N 3.08Å; G860-M862 PolarHBondContact O-N 2.74Å |
| 861 | A | 49 | Very low | 53 | Low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -52.3 | 113.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P859 G863 | P859-A861 PolarHBondContact O-N 3.45Å; A861-G863 PolarHBondContact O-N 3Å | ||
| 862 | M | 50 | Low | 52.9 | Low | 184 Ų | 184 | 123 Ų | 123 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 125 | 179.9 | -171.1 | -179.8 | -65.6 | 0 | 0 | 109.1 | G860 L864 | G860-M862 PolarHBondContact O-N 2.74Å; M862-L864 PolarHBondContact O-N 2.84Å |
| 863 | G | 48.9 | Very low | 52.7 | Low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 131.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A861 P865 | A861-G863 PolarHBondContact O-N 3Å; G863-P865 WeakPolarHBondContact O-CD 3.4Å |
| 864 | L | 49.3 | Very low | 52.3 | Low | 169 Ų | 169 | 127 Ų | 127 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.3 | 179.7 | -74.5 | 168.8 | 0 | 0 | 0 | 109.8 | M862 | M862-L864 PolarHBondContact O-N 2.84Š|
| 865 | P | 63.5 | Low | 52.2 | Low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.1 | 172.9 | -26.1 | 35.3 | 0 | 0 | 0 | 111 | G863 L867 | G863-P865 WeakPolarHBondContact O-CD 3.4Å; P865-L867 PolarHBondContact O-N 3.07Å |
| 866 | G | 46.4 | Very low | 51.2 | Low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | E868 | G866-E868 VanDerWaalsContact C-N 3.34Å; G866-E868 PolarHBondContact O-N 2.75Å |
| 867 | L | 46.5 | Very low | 51.2 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -74.5 | 87.3 | 173.2 | -76 | 167.1 | 0 | 0 | 0 | 109.7 | P865 | P865-L867 PolarHBondContact O-N 3.07Š| ||
| 868 | E | 52.6 | Low | 51.1 | Low | 189 Ų | 189 | 134.7 Ų | 134.7 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 141.9 | 160.1 | -73.7 | -165.2 | 120.9 | 0 | 0 | 110.1 | G866 | G866-E868 VanDerWaalsContact C-N 3.34Å; G866-E868 PolarHBondContact O-N 2.75Å |
| 869 | G | 47.8 | Very low | 50.9 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 138.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P871 | G869-P871 WeakPolarHBondContact O-CD 3.32Š|
| 870 | F | 37.4 | Very low | 50.6 | Low | 206 Ų | 206 | 131.1 Ų | 131.1 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 116.8 | -178.8 | -63.6 | -84.6 | 0 | 0 | 0 | 113.3 | ||
| 871 | P | 64.9 | Low | 50.4 | Low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 142.4 | 159.9 | -14.6 | 31.4 | 0 | 0 | 0 | 109.3 | G869 V873 | G869-P871 WeakPolarHBondContact O-CD 3.32Å; P871-V873 PolarHBondContact O-N 3.22Å |
| 872 | G | 49.4 | Very low | 50.5 | Low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | K874 | G872-K874 PolarHBondContact O-N 2.89Š|
| 873 | V | 44.7 | Very low | 50.6 | Low | 154 Ų | 154 | 128.4 Ų | 128.4 | 93% | 0.933 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117 | 177.2 | -82.5 | 0 | 0 | 0 | 0 | 111.7 | P871 | P871-V873 PolarHBondContact O-N 3.22Š|
| 874 | K | 55.8 | Low | 50.3 | Low | 204 Ų | 204 | 128.9 Ų | 128.9 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 129 | 168.3 | -175 | 175 | -179.7 | 176.6 | 0 | 108.1 | G872 | G872-K874 PolarHBondContact O-N 2.89Š|
| 875 | G | 49.7 | Very low | 50.2 | Low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 157.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 876 | D | 38.8 | Very low | 49.7 | Very low | 172 Ų | 172 | 129 Ų | 129 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146.1 | -166.9 | -56.9 | -71.5 | 0 | 0 | 0 | 115.1 | ||
| 877 | R | 58.3 | Low | 49.8 | Very low | 246 Ų | 246 | 129.1 Ų | 129.1 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -99 | 129.5 | 171.1 | -173.2 | 173.5 | 179.6 | 166.6 | -0.6 | 109.2 | ||
| 878 | G | 50.7 | Low | 49.7 | Very low | 62 Ų | 62 | 129.9 Ų | 129.9 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 156.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 879 | P | 45.8 | Very low | 49.5 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.5 | -169 | 28.2 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 880 | A | 61.5 | Low | 49.8 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 152.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 881 | G | 46.7 | Very low | 50.5 | Low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 165.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P883 | G881-P883 VanDerWaalsContact O-CD 3.29Å; G881-P883 WeakPolarHBondContact O-CD 3.27Å |
| 882 | P | 51.8 | Low | 50.3 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 120.9 | -172.9 | 35.3 | -32 | 0 | 0 | 0 | 115.1 | ||
| 883 | P | 51.3 | Low | 50.5 | Low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -121.8 | 145.7 | 153.4 | 36.9 | -27.3 | 0 | 0 | 0 | 111.1 | G881 | G881-P883 VanDerWaalsContact O-CD 3.29Å; G881-P883 WeakPolarHBondContact O-CD 3.27Å | ||
| 884 | G | 42.6 | Very low | 50.8 | Low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | -157.4 | -177.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 885 | I | 47.3 | Very low | 51.3 | Low | 188 Ų | 188 | 121 Ų | 121 | 96% | 0.964 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 147.5 | -173.5 | -24.3 | 180 | 0 | 0 | 0 | 111.9 | ||
| 886 | A | 52.9 | Low | 51.7 | Low | 95 Ų | 95 | 120.6 Ų | 120.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 151.5 | -165 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 887 | G | 50 | Low | 52.3 | Low | 76 Ų | 76 | 118.4 Ų | 118.4 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 150.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 888 | M | 44.3 | Very low | 52.4 | Low | 194 Ų | 194 | 112.8 Ų | 112.8 | 96% | 0.956 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 142.4 | -173.3 | -62.6 | 167.9 | 67.8 | 0 | 0 | 112.9 | ||
| 889 | S | 47.8 | Very low | 52.8 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.1 | -178.8 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 890 | G | 53.1 | Low | 53.1 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148.3 | 163 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 891 | K | 52.5 | Low | 53.1 | Low | 203 Ų | 203 | 114.7 Ų | 114.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.6 | 178.2 | -63.7 | -178.8 | -179.1 | 179 | 0 | 110.9 | ||
| 892 | P | 61.3 | Low | 53.7 | Low | 131 Ų | 131 | 115.5 Ų | 115.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141.2 | 169.6 | -23.8 | 34.4 | 0 | 0 | 0 | 112.3 | ||
| 893 | G | 54.3 | Low | 53.5 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 154.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 894 | A | 50.8 | Low | 54.1 | Low | 99 Ų | 99 | 119 Ų | 119 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 141.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 895 | P | 65.6 | Low | 54.8 | Low | 129 Ų | 129 | 119.3 Ų | 119.3 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 142.8 | 172.1 | -23.2 | 34.3 | 0 | 0 | 0 | 112.8 | ||
| 896 | G | 58.8 | Low | 54.9 | Low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 159.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 897 | P | 51.8 | Low | 54.9 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.9 | -178.2 | 29.4 | -35.2 | 0 | 0 | 0 | 112.7 | ||
| 898 | P | 60.3 | Low | 55.3 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.5 | 174.1 | -22.3 | 34.1 | 0 | 0 | 0 | 113.5 | ||
| 899 | G | 57.5 | Low | 55.6 | Low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 154.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 900 | V | 52.1 | Low | 55.9 | Low | 141 Ų | 141 | 125 Ų | 125 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 136.9 | -175.6 | -158.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 901 | P | 62.3 | Low | 55.5 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 149.6 | 171.2 | -21.2 | 34 | 0 | 0 | 0 | 113.2 | ||
| 902 | G | 58.7 | Low | 54.8 | Low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 156.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 903 | E | 48 | Very low | 54.2 | Low | 192 Ų | 192 | 124.2 Ų | 124.2 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 153.2 | -171.2 | -62 | -170.6 | 121.4 | 0 | 0 | 114.5 | ||
| 904 | P | 63.1 | Low | 53.4 | Low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.9 | 176.7 | -10.5 | 28.5 | 0 | 0 | 0 | 113.5 | ||
| 905 | G | 58.6 | Low | 52.5 | Low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 153.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 906 | E | 48 | Very low | 52.7 | Low | 205 Ų | 205 | 128.8 Ų | 128.8 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 171.1 | -170.8 | -61 | -167.4 | 122.1 | 0 | 0 | 115.7 | ||
| 907 | R | 53.2 | Low | 51.9 | Low | 241 Ų | 241 | 129.2 Ų | 129.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 131.8 | -171.3 | -176.1 | -166.1 | -64.3 | 179 | 0.4 | 112.7 | ||
| 908 | G | 59 | Low | 51.2 | Low | 59 Ų | 59 | 129.8 Ų | 129.8 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 159.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 909 | P | 51.2 | Low | 50.7 | Low | 136 Ų | 136 | 132.9 Ų | 132.9 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -83.9 | -178.3 | -173.3 | 35.2 | -37.6 | 0 | 0 | 0 | 115.1 | ||||
| 910 | V | 53.4 | Low | 50.5 | Low | 154 Ų | 154 | 132.7 Ų | 132.7 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | -127.6 | 144.2 | -170.6 | 175.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 911 | G | 44.7 | Very low | 49.8 | Very low | 58 Ų | 58 | 132.1 Ų | 132.1 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | trans | 143 | 145.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 912 | D | 38.8 | Very low | 49.2 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | cis | -152.3 | -177 | -4.5 | -96.6 | -41.5 | 0 | 0 | 0 | 111.7 | ||||
| 913 | I | 48.2 | Very low | 49.2 | Very low | 162 Ų | 162 | 132 Ų | 132 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 148 | -162.5 | -59.6 | 162.9 | 0 | 0 | 0 | 114.1 | ||||
| 914 | G | 38.1 | Very low | 48.6 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -168.2 | 56.3 | 177 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 915 | F | 32 | Very low | 48.1 | Very low | 207 Ų | 207 | 132.6 Ų | 132.6 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | trans | 58.4 | 161 | 156.5 | -73 | -87.7 | 0 | 0 | 0 | 122.3 | ||||
| 916 | P | 68.3 | Low | 48.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -125.1 | 164.1 | -164.8 | 42.5 | -29.1 | 0 | 0 | 0 | 118.1 | ||||
| 917 | G | 41.9 | Very low | 47.4 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 103.9 | 166.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 918 | P | 37.8 | Very low | 47.2 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | cis | -111.9 | -162 | -2.7 | 41.9 | -30.6 | 0 | 0 | 0 | 113 | ||||
| 919 | E | 50.1 | Low | 46.7 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | -101.2 | 155.3 | -173.2 | -170.4 | 177.5 | -149.5 | 0 | 0 | 114 | ||||
| 920 | G | 53 | Low | 46 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 97.6 | 152 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 921 | P | 38.1 | Very low | 45.6 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | cis | -118.2 | 168.3 | 27.3 | 40.9 | -32.1 | 0 | 0 | 0 | 115.6 | ||||
| 922 | S | 49.7 | Very low | 45.4 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | trans | -76.2 | 135.8 | 167 | -165.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 923 | G | 57.8 | Low | 45.3 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | -86 | -169.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 924 | K | 35 | Very low | 46 | Very low | 209 Ų | 209 | 130.8 Ų | 130.8 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -150.6 | 155.2 | 169.5 | -103.8 | 156.2 | -173.1 | 174.9 | 0 | 111.1 | ||||
| 925 | P | 54.3 | Low | 46.1 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | trans | -110.3 | 148.2 | -155.2 | 9.9 | 12.6 | 0 | 0 | 0 | 115.7 | ||||
| 926 | G | 57.7 | Low | 46.1 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 73.1 | 124.4 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 927 | I | 33.2 | Very low | 45.2 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -153 | 132.1 | 152.6 | 19.7 | 173.3 | 0 | 0 | 0 | 110.9 | ||||
| 928 | N | 48.1 | Very low | 45.2 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -77.6 | 161.7 | 161.4 | -71.2 | -12.5 | 0 | 0 | 0 | 109 | ||||
| 929 | G | 50.2 | Low | 45.1 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | cis | 156.3 | 174.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 930 | K | 35 | Very low | 44.7 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 166 | 161.1 | 154.5 | 58.3 | -167.6 | 178.9 | -178 | 0 | 114.1 | ||||
| 931 | D | 45.3 | Very low | 44 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -106.1 | 175 | -166 | -44.7 | -93.3 | 0 | 0 | 0 | 116 | ||||
| 932 | G | 40.7 | Very low | 44.7 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 125.4 | 149.7 | 162 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 933 | I | 37.2 | Very low | 44.7 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 86% | 0.862 | 82% | 0.824 | S | S | * | * | cis | -149.7 | 151.6 | -2 | -57.9 | -178.2 | 0 | 0 | 0 | 108.5 | ||||
| 934 | P | 62 | Low | 44 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | trans | -103.2 | 169.8 | -172.3 | 8.8 | 13.4 | 0 | 0 | 0 | 116.9 | ||||
| 935 | G | 40.1 | Very low | 44.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 175.1 | 152.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 936 | A | 33.7 | Very low | 44.1 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | cis | -152.3 | 174 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 937 | Q | 47.6 | Very low | 43.7 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | -145 | 143.9 | -174.6 | 178.8 | -173.3 | -2.3 | 0 | 0 | 112.5 | ||||
| 938 | G | 42.5 | Very low | 44.9 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 83% | 0.832 | S | S | * | * | trans | 153 | 161 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 939 | I | 36.3 | Very low | 44.5 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 80% | 0.795 | 83% | 0.833 | S | S | * | * | cis | -166 | 146.9 | -8.2 | 34.6 | 167.8 | 0 | 0 | 0 | 111.4 | ||||
| 940 | M | 41.2 | Very low | 44 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | 51.6 | 149.7 | 138.3 | -156.6 | 154.8 | 56.4 | 0 | 0 | 121.9 | ||||
| 941 | G | 37.5 | Very low | 44.1 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | cis | -167.4 | -143.1 | 13.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 942 | K | 54.1 | Low | 44.6 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -117.8 | -170.6 | -165.2 | -47.8 | -175.7 | -179.3 | -176.6 | 0 | 112.8 | ||||
| 943 | P | 49.3 | Very low | 44.9 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | cis | -141.3 | -168.9 | -2.1 | 45.3 | -26.2 | 0 | 0 | 0 | 117 | ||||
| 944 | G | 43.8 | Very low | 44.9 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | 149.6 | 139.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 945 | D | 51.8 | Low | 44.3 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 92% | 0.92 | 83% | 0.827 | S | S | * | * | trans | -126.8 | 158.2 | -174.7 | -62.5 | -64.3 | 0 | 0 | 0 | 115.2 | ||||
| 946 | R | 39.7 | Very low | 44.8 | Very low | 257 Ų | 257 | 141.6 Ų | 141.6 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | trans | 135.6 | 130.8 | 132.8 | -169.7 | 177.4 | -168.3 | 174.6 | 4.1 | 116.9 | ||||
| 947 | G | 48.9 | Very low | 44.7 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 146.8 | 119.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 948 | P | 57.4 | Low | 45.2 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -99 | 135.6 | -175.7 | 35.2 | -31.7 | 0 | 0 | 0 | 114.6 | ||||
| 949 | K | 39.2 | Very low | 45.4 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | 146.3 | 117.1 | 140 | -176.2 | 175.3 | -178.5 | -179.4 | 0 | 113.3 | ||||
| 950 | G | 41 | Very low | 45.4 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | 173.7 | 131.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 951 | E | 37 | Very low | 45.1 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -91.1 | 151.5 | -169.7 | -60.7 | -164.5 | 163.7 | 0 | 0 | 112.5 | ||||
| 952 | R | 56 | Low | 45.6 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | cis | 178.9 | 120.4 | -16.1 | 168.8 | -168.8 | -69.4 | 116.3 | 5.1 | 106.6 | ||||
| 953 | G | 46.6 | Very low | 45 | Very low | 63 Ų | 63 | 139.5 Ų | 139.5 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | cis | -178.6 | 108.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 954 | D | 36.3 | Very low | 44.6 | Very low | 169 Ų | 169 | 142 Ų | 142 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | 53.2 | 147.2 | 147.6 | -47.6 | -31 | 0 | 0 | 0 | 124.5 | ||||
| 955 | Q | 49.9 | Very low | 44.9 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -100.7 | 83.8 | 177.5 | -174 | -175.3 | -3.7 | 0 | 0 | 112.3 | ||||
| 956 | G | 51.2 | Low | 44.3 | Very low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 63.9 | 137.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 957 | I | 30.5 | Very low | 44.6 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -122.3 | 118.6 | 163.6 | -60.5 | -178.2 | 0 | 0 | 0 | 108.5 | ||||
| 958 | P | 59.4 | Low | 44.5 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 162.8 | 177.5 | -14 | 29.7 | 0 | 0 | 0 | 113.5 | ||||
| 959 | G | 46.3 | Very low | 44.1 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | 130 | 98.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 960 | D | 35.8 | Very low | 44.7 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 61.5 | 149.9 | 157.5 | -50.7 | -27.3 | 0 | 0 | 0 | 116.8 | ||||
| 961 | R | 35.6 | Very low | 45 | Very low | 229 Ų | 229 | 137.2 Ų | 137.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | cis | -163.2 | 144.8 | 37.9 | -163.4 | 175 | 178.5 | 160.2 | -2.8 | 109.3 | ||||
| 962 | G | 48.7 | Very low | 45.2 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -60.3 | 132.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 963 | P | 41.3 | Very low | 45 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -147.8 | 122.1 | 98.2 | 34.8 | -17.4 | 0 | 0 | 0 | 114.1 | |||||
| 964 | Q | 40.3 | Very low | 44.7 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -144.8 | 55.2 | 138.5 | -153.1 | 162.1 | 5.7 | 0 | 0 | 112.2 | ||||
| 965 | G | 49.3 | Very low | 45.4 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -66.5 | 134 | 145.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 966 | E | 40.8 | Very low | 45 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | 82.2 | 135.1 | 164.7 | -57.4 | -143.1 | 179.1 | 0 | 0 | 121.7 | ||||
| 967 | R | 44.6 | Very low | 44.6 | Very low | 220 Ų | 220 | 137.1 Ų | 137.1 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 59.9 | 109.5 | 133.5 | -162.3 | -175.5 | -51.8 | -160.4 | 3.2 | 118.3 | ||||
| 968 | G | 47.8 | Very low | 45.5 | Very low | 63 Ų | 63 | 133.4 Ų | 133.4 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | cis | 132.8 | 129.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 969 | K | 49.3 | Very low | 44.3 | Very low | 209 Ų | 209 | 135.9 Ų | 135.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 164.4 | -171.2 | -50.2 | 177.2 | -175.8 | 177.6 | 0 | 111.8 | ||||
| 970 | P | 50.2 | Low | 44.1 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -129.8 | -173.5 | 5.1 | 43.3 | -27.5 | 0 | 0 | 0 | 115 | ||||
| 971 | G | 48 | Very low | 45 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | 96.5 | 86.2 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 972 | L | 40.7 | Very low | 45.4 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | 63.3 | 144.9 | 142.4 | -67.5 | 172.1 | 0 | 0 | 0 | 122.3 | ||||
| 973 | T | 51.7 | Low | 45 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 123 | 171.3 | -39.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 974 | G | 40.4 | Very low | 45.4 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 120.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 975 | M | 51.3 | Low | 46.2 | Very low | 178 Ų | 178 | 127.7 Ų | 127.7 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 145.1 | -174.6 | -62 | 168 | 66.9 | 0 | 0 | 112.9 | ||
| 976 | K | 41.5 | Very low | 46 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -126.3 | 103 | 161.5 | -170.2 | 174.2 | -176.6 | 177.4 | 0 | 112.1 | ||||
| 977 | G | 42.6 | Very low | 46.5 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 66.7 | 97.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 978 | A | 49.5 | Very low | 46.6 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -95.5 | 128 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 979 | I | 35.3 | Very low | 46.7 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -176 | 133.3 | 162.2 | -92.9 | 144 | 0 | 0 | 0 | 104.8 | ||||
| 980 | G | 40.6 | Very low | 46.6 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | cis | -147.7 | 173.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 981 | P | 56.2 | Low | 46.6 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -95.7 | 177.4 | -166.5 | 38.5 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 982 | I | 44 | Very low | 46.6 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 83 | 140.9 | 169.2 | -59.7 | 173.8 | 0 | 0 | 0 | 113.9 | ||||
| 983 | G | 40 | Very low | 47.1 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | cis | -141.7 | -178.1 | 15.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 984 | P | 48.6 | Very low | 47.7 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 167.9 | -169.7 | 31.6 | -36.4 | 0 | 0 | 0 | 114.7 | ||
| 985 | P | 58.7 | Low | 48.2 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 149.6 | -164.3 | -16.9 | 32.3 | 0 | 0 | 0 | 115.6 | ||
| 986 | G | 44.4 | Very low | 48.1 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 119.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 987 | N | 51.8 | Low | 48.8 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 128.6 | 175.3 | -66.9 | -31.9 | 0 | 0 | 0 | 110.6 | ||
| 988 | K | 47.1 | Very low | 49.5 | Very low | 211 Ų | 211 | 122.2 Ų | 122.2 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 126.1 | 175.7 | -159.3 | 168.8 | -172.9 | 175.3 | 0 | 110.3 | ||
| 989 | G | 48.6 | Very low | 50 | Low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 169.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 990 | S | 46.8 | Very low | 51.3 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 149.3 | 178.5 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 991 | M | 51.2 | Low | 52 | Low | 186 Ų | 186 | 121.5 Ų | 121.5 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.6 | 177 | -172.4 | 152.3 | 61.5 | 0 | 0 | 111.6 | ||
| 992 | G | 48.2 | Very low | 51.9 | Low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 151 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 993 | S | 50.7 | Low | 52.6 | Low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 151.1 | 178.8 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 994 | P | 64.4 | Low | 52.9 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 147.3 | 172 | -25.6 | 35.2 | 0 | 0 | 0 | 112.8 | ||
| 995 | G | 51.3 | Low | 53.1 | Low | 77 Ų | 77 | 121.4 Ų | 121.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 996 | H | 48.2 | Very low | 52.6 | Low | 183 Ų | 183 | 121.2 Ų | 121.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 142 | -179.6 | -65.8 | -84.9 | 0 | 0 | 0 | 112.2 | ||
| 997 | Q | 55.8 | Low | 52.3 | Low | 189 Ų | 189 | 121 Ų | 121 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.8 | 168.9 | -170 | 172.3 | 10.6 | 0 | 0 | 109.7 | ||
| 998 | G | 58.6 | Low | 52.1 | Low | 58 Ų | 58 | 120.4 Ų | 120.4 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 149.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 999 | P | 60.3 | Low | 52.1 | Low | 124 Ų | 124 | 116.4 Ų | 116.4 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 146.7 | -179 | 26.2 | -34.7 | 0 | 0 | 0 | 111.1 | G1001 | P999-G1001 PolarHBondContact O-N 2.83Š|
| 1000 | P | 61.7 | Low | 51.7 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 139.5 | 173.4 | -25.2 | 34.6 | 0 | 0 | 0 | 111.6 | ||
| 1001 | G | 56.2 | Low | 51.8 | Low | 72 Ų | 72 | 118.3 Ų | 118.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 139.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | P999 | P999-G1001 PolarHBondContact O-N 2.83Š|
| 1002 | S | 52.8 | Low | 51.7 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 138.7 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | G1004 | S1002-G1004 PolarHBondContact O-N 3.33Š|
| 1003 | P | 59.3 | Low | 52.2 | Low | 126 Ų | 126 | 115.9 Ų | 115.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 133.5 | 174.5 | -27.4 | 35.2 | 0 | 0 | 0 | 111.8 | ||
| 1004 | G | 45.8 | Very low | 52.8 | Low | 70 Ų | 70 | 113.6 Ų | 113.6 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 145.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1002 | S1002-G1004 PolarHBondContact O-N 3.33Š|
| 1005 | I | 53.8 | Low | 52.7 | Low | 164 Ų | 164 | 115.2 Ų | 115.2 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 132.1 | 173.2 | -59.3 | 172.2 | 0 | 0 | 0 | 108.1 | G1007 | I1005-G1007 PolarHBondContact O-N 2.82Å; I1005-G1007 VanDerWaalsContact O-N 3.13Å |
| 1006 | P | 48.4 | Very low | 53.5 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 121 | 178 | -27.8 | 35.7 | 0 | 0 | 0 | 111.5 | I1008 | P1006-I1008 PolarHBondContact O-N 3.32Š|
| 1007 | G | 38.2 | Very low | 54.4 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 129.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1005 | I1005-G1007 PolarHBondContact O-N 2.82Å; I1005-G1007 VanDerWaalsContact O-N 3.13Å |
| 1008 | I | 47.3 | Very low | 55.2 | Low | 155 Ų | 155 | 108.1 Ų | 108.1 | 80% | 0.795 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 136.6 | 167 | -54.8 | 171.6 | 0 | 0 | 0 | 107.1 | P1006 A1010 | P1006-I1008 PolarHBondContact O-N 3.32Å; I1008-A1010 PolarHBondContact O-N 3.02Å |
| 1009 | P | 46.1 | Very low | 55.6 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -69 | 84 | 177.4 | 28.7 | -35.3 | 0 | 0 | 0 | 110.4 | D1011 | P1009-D1011 PolarHBondContact O-N 3.42Š| ||
| 1010 | A | 40.4 | Very low | 56.2 | Low | 89 Ų | 89 | 110.8 Ų | 110.8 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | trans | -72.1 | 122.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | I1008 | I1008-A1010 PolarHBondContact O-N 3.02Š| ||
| 1011 | D | 49.6 | Very low | 57.1 | Low | 147 Ų | 147 | 112 Ų | 112 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | trans | -0.3 | 125.5 | 173.9 | -55.6 | -49.3 | 0 | 0 | 0 | 118.1 | P1009 V1013 | P1009-D1011 PolarHBondContact O-N 3.42Å; D1011-V1013 PolarHBondContact O-N 2.78Å | ||
| 1012 | A | 48.6 | Very low | 58.1 | Low | 108 Ų | 108 | 113 Ų | 113 | 89% | 0.893 | 66% | 0.661 | S | S | * | * | trans | -66 | 89.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1014 | A1012-S1014 PolarHBondContact O-N 2.92Š| ||
| 1013 | V | 58 | Low | 59.1 | Low | 96 Ų | 96 | 112.3 Ų | 112.3 | 58% | 0.582 | 65% | 0.648 | S | S | * | * | trans | -50 | 123.1 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | D1011 E1017 I1018 | D1011-V1013 PolarHBondContact O-N 2.78Å; V1013-E1017 HydrophobicContact CG1-CB 3.86Å; V1013-I1018 HydrophobicContact CG1-CG1 4.03Å | ||
| 1014 | S | 64.6 | Low | 59.9 | Low | 54 Ų | 54 | 111.8 Ų | 111.8 | 38% | 0.378 | 64% | 0.635 | S | S | . | * | trans | -67.3 | 148.9 | -171.2 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | A1012 E1016 E1017 I1018 | A1012-S1014 PolarHBondContact O-N 2.92Å; S1014-E1016 PolarHBondContact O-N 2.88Å; S1014-E1016 PolarHBondContact OG-N 3.16Å; S1014-E1017 PolarHBondContact N-OE2 2.94Å; S1014-E1017 WeakPolarHBondContact O-CA 2.98Å; S1014-E1017 WeakPolarHBondContact O-CB 3.48Å; S1014-E1017 PolarHBondContact O-N 2.87Å; S1014-I1018 PolarHBondContact O-N 3.45Å | ||
| 1015 | F | 62.4 | Low | 61.7 | Low | 155 Ų | 155 | 111 Ų | 111 | 68% | 0.68 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.5 | -32.9 | 172.3 | -166.3 | -101 | 0 | 0 | 0 | 111.3 | K1019 | F1015-K1019 WeakPolarHBondContact O-CB 3.3Å; F1015-K1019 PolarHBondContact O-N 3.19Å |
| 1016 | E | 67.8 | Low | 63 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 50% | 0.5 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -31.5 | 171.4 | -101.6 | 50.1 | -124.5 | 0 | 0 | 113.5 | S1014 K1019 K1020 | S1014-E1016 PolarHBondContact O-N 2.88Å; S1014-E1016 PolarHBondContact OG-N 3.16Å; E1016-K1019 IonicContact OE1-NZ 3.23Å; E1016-K1019 PolarHBondContact OE1-NZ 3.24Å; E1016-K1020 WeakPolarHBondContact O-CB 3.35Å; E1016-K1020 PolarHBondContact O-N 3.28Å |
| 1017 | E | 67.1 | Low | 64.3 | Low | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76 | -41.5 | 175.5 | -71.1 | 178.3 | 120 | 0 | 0 | 111.7 | V1013 S1014 K1019 K1020 Y1021 | V1013-E1017 HydrophobicContact CG1-CB 3.86Å; S1014-E1017 PolarHBondContact N-OE2 2.94Å; S1014-E1017 WeakPolarHBondContact O-CA 2.98Å; S1014-E1017 WeakPolarHBondContact O-CB 3.48Å; S1014-E1017 PolarHBondContact O-N 2.87Å; E1017-K1019 VanDerWaalsContact C-N 3.33Å; E1017-K1019 PolarHBondContact O-N 3.37Å; E1017-K1020 PolarHBondContact O-N 2.82Å; E1017-Y1021 WeakPolarHBondContact O-CB 3.26Å; E1017-Y1021 PolarHBondContact O-N 2.71Å |
| 1018 | I | 72.9 | Confident | 66.4 | Low | 81 Ų | 81 | 108.5 Ų | 108.5 | 42% | 0.415 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -45.6 | 172.9 | -63.1 | 174.5 | 0 | 0 | 0 | 110 | V1013 S1014 K1020 Y1021 I1022 | V1013-I1018 HydrophobicContact CG1-CG1 4.03Å; S1014-I1018 PolarHBondContact O-N 3.45Å; I1018-K1020 PolarHBondContact O-N 3.01Å; I1018-Y1021 PolarHBondContact O-N 3.31Å; I1018-I1022 HydrophobicContact CG2-CD1 3.84Å; I1018-I1022 WeakPolarHBondContact O-CB 3.28Å; I1018-I1022 VanDerWaalsContact O-CG1 3.29Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.39Å; I1018-I1022 PolarHBondContact O-N 2.83Å |
| 1019 | K | 66 | Low | 67.9 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 45% | 0.448 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 176.6 | -177.5 | 174.6 | 168.3 | -167.4 | 0 | 112.6 | F1015 E1016 E1017 N1023 | F1015-K1019 WeakPolarHBondContact O-CB 3.3Å; F1015-K1019 PolarHBondContact O-N 3.19Å; E1016-K1019 IonicContact OE1-NZ 3.23Å; E1016-K1019 PolarHBondContact OE1-NZ 3.24Å; E1017-K1019 VanDerWaalsContact C-N 3.33Å; E1017-K1019 PolarHBondContact O-N 3.37Å; K1019-N1023 WeakPolarHBondContact O-CB 3.37Å; K1019-N1023 VanDerWaalsContact O-CG 3.25Å; K1019-N1023 PolarHBondContact O-N 3.29Å; K1019-N1023 PolarHBondContact O-ND2 3.35Å |
| 1020 | K | 74.1 | Confident | 69.5 | Low | 134 Ų | 134 | 104 Ų | 104 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.9 | -43.6 | 173 | -176 | -178.8 | 177.2 | -172.4 | 0 | 111.4 | E1016 E1017 I1018 N1023 Q1024 | E1016-K1020 WeakPolarHBondContact O-CB 3.35Å; E1016-K1020 PolarHBondContact O-N 3.28Å; E1017-K1020 PolarHBondContact O-N 2.82Å; I1018-K1020 PolarHBondContact O-N 3.01Å; K1020-N1023 PolarHBondContact O-N 2.76Å; K1020-Q1024 WeakPolarHBondContact O-CB 3.48Å; K1020-Q1024 WeakPolarHBondContact O-CG 3.22Å; K1020-Q1024 PolarHBondContact O-N 2.72Å |
| 1021 | Y | 78.9 | Confident | 71.1 | Confident | 155 Ų | 155 | 105.8 Ų | 105.8 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 175.8 | -176.1 | -99.4 | 0 | 0 | 0 | 111.6 | E1017 I1018 N1023 Q1024 E1025 | E1017-Y1021 WeakPolarHBondContact O-CB 3.26Å; E1017-Y1021 PolarHBondContact O-N 2.71Å; I1018-Y1021 PolarHBondContact O-N 3.31Å; Y1021-N1023 PolarHBondContact O-N 2.78Å; Y1021-Q1024 PolarHBondContact O-N 2.85Å; Y1021-E1025 WeakPolarHBondContact O-CB 3.29Å; Y1021-E1025 PolarHBondContact O-N 2.77Å |
| 1022 | I | 77.9 | Confident | 72.3 | Confident | 93 Ų | 93 | 103.4 Ų | 103.4 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 175.2 | -69.3 | 167 | 0 | 0 | 0 | 111 | I1018 E1025 V1026 | I1018-I1022 HydrophobicContact CG2-CD1 3.84Å; I1018-I1022 WeakPolarHBondContact O-CB 3.28Å; I1018-I1022 VanDerWaalsContact O-CG1 3.29Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.39Å; I1018-I1022 PolarHBondContact O-N 2.83Å; I1022-E1025 PolarHBondContact O-N 3.46Å; I1022-V1026 HydrophobicContact CG2-CG2 4.38Å; I1022-V1026 WeakPolarHBondContact O-CB 3.41Å; I1022-V1026 VanDerWaalsContact O-CG2 3.28Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; I1022-V1026 PolarHBondContact O-N 2.9Å |
| 1023 | N | 73.6 | Confident | 73.5 | Confident | 93 Ų | 93 | 107.3 Ų | 107.3 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.8 | -76.2 | -28.1 | 0 | 0 | 0 | 112.6 | K1019 K1020 Y1021 L1027 | K1019-N1023 WeakPolarHBondContact O-CB 3.37Å; K1019-N1023 VanDerWaalsContact O-CG 3.25Å; K1019-N1023 PolarHBondContact O-N 3.29Å; K1019-N1023 PolarHBondContact O-ND2 3.35Å; K1020-N1023 PolarHBondContact O-N 2.76Å; Y1021-N1023 PolarHBondContact O-N 2.78Å; N1023-L1027 WeakPolarHBondContact O-CB 3.43Å; N1023-L1027 WeakPolarHBondContact O-CG 3.37Å; N1023-L1027 PolarHBondContact O-N 2.85Å |
| 1024 | Q | 75.9 | Confident | 74.1 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 174.8 | -75.7 | -174 | -100.5 | 0 | 0 | 111.6 | K1020 Y1021 L1027 R1028 | K1020-Q1024 WeakPolarHBondContact O-CB 3.48Å; K1020-Q1024 WeakPolarHBondContact O-CG 3.22Å; K1020-Q1024 PolarHBondContact O-N 2.72Å; Y1021-Q1024 PolarHBondContact O-N 2.85Å; Q1024-L1027 PolarHBondContact O-N 2.76Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.17Å; Q1024-R1028 PolarHBondContact O-N 2.74Å |
| 1025 | E | 83.3 | Confident | 74.3 | Confident | 55 Ų | 55 | 106.8 Ų | 106.8 | 26% | 0.257 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.5 | -34.7 | -179.2 | -167.8 | 61.7 | -168.8 | 0 | 0 | 112.1 | Y1021 I1022 R1028 I1029 | Y1021-E1025 WeakPolarHBondContact O-CB 3.29Å; Y1021-E1025 PolarHBondContact O-N 2.77Å; I1022-E1025 PolarHBondContact O-N 3.46Å; E1025-R1028 VanDerWaalsContact CD-NE 3.3Å; E1025-R1028 PolarHBondContact O-N 3.48Å; E1025-R1028 IonicContact OE1-CZ 3.76Å; E1025-R1028 VanDerWaalsContact OE1-CZ 3.31Å; E1025-R1028 IonicContact OE1-NE 3.92Å; E1025-R1028 PolarHBondContact OE1-NE 3.25Å; E1025-R1028 VanDerWaalsContact OE1-NE 3.11Å; E1025-R1028 IonicContact OE1-NH2 3.73Å; E1025-R1028 PolarHBondContact OE1-NH2 2.72Å; E1025-R1028 WeakPolarHBondContact OE2-CD 3.19Å; E1025-R1028 IonicContact OE2-CZ 2.74Å; E1025-R1028 IonicContact OE2-NE 3.63Å; E1025-R1028 PolarHBondContact OE2-NE 3.29Å; E1025-R1028 IonicContact OE2-NH2 3.02Å; E1025-I1029 HydrophobicContact CG-CD1 4.14Å; E1025-I1029 WeakPolarHBondContact O-CB 3.43Å; E1025-I1029 VanDerWaalsContact O-CG1 3.25Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.16Å; E1025-I1029 PolarHBondContact O-N 2.81Å |
| 1026 | V | 81.9 | Confident | 74.6 | Confident | 91 Ų | 91 | 103.2 Ų | 103.2 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 169 | 168 | 0 | 0 | 0 | 0 | 111 | I1022 F1030 | I1022-V1026 HydrophobicContact CG2-CG2 4.38Å; I1022-V1026 WeakPolarHBondContact O-CB 3.41Å; I1022-V1026 VanDerWaalsContact O-CG2 3.28Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; I1022-V1026 PolarHBondContact O-N 2.9Å; V1026-F1030 VanDerWaalsContact O-CB 3.28Å; V1026-F1030 WeakPolarHBondContact O-CB 3.45Å; V1026-F1030 PolarHBondContact O-N 2.83Å |
| 1027 | L | 75.4 | Confident | 74.5 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 172.8 | -82.9 | 163.9 | 0 | 0 | 0 | 111.8 | N1023 Q1024 I1029 F1030 E1031 | N1023-L1027 WeakPolarHBondContact O-CB 3.43Å; N1023-L1027 WeakPolarHBondContact O-CG 3.37Å; N1023-L1027 PolarHBondContact O-N 2.85Å; Q1024-L1027 PolarHBondContact O-N 2.76Å; L1027-I1029 PolarHBondContact O-N 2.76Å; L1027-F1030 CarbonylContact O-C 3.51Å; L1027-F1030 WeakPolarHBondContact O-CB 3.46Å; L1027-F1030 PolarHBondContact O-N 2.92Å; L1027-F1030 VanDerWaalsContact O-N 3.13Å; L1027-E1031 WeakPolarHBondContact O-CG 3.32Å; L1027-E1031 PolarHBondContact O-N 3.11Å |
| 1028 | R | 82.4 | Confident | 74.1 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 39% | 0.389 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 178.2 | -161.4 | -173.9 | 74 | 67.4 | 10.6 | 111.8 | Q1024 E1025 F1030 E1031 E1032 | Q1024-R1028 WeakPolarHBondContact O-CB 3.17Å; Q1024-R1028 PolarHBondContact O-N 2.74Å; E1025-R1028 VanDerWaalsContact CD-NE 3.3Å; E1025-R1028 PolarHBondContact O-N 3.48Å; E1025-R1028 IonicContact OE1-CZ 3.76Å; E1025-R1028 VanDerWaalsContact OE1-CZ 3.31Å; E1025-R1028 IonicContact OE1-NE 3.92Å; E1025-R1028 PolarHBondContact OE1-NE 3.25Å; E1025-R1028 VanDerWaalsContact OE1-NE 3.11Å; E1025-R1028 IonicContact OE1-NH2 3.73Å; E1025-R1028 PolarHBondContact OE1-NH2 2.72Å; E1025-R1028 WeakPolarHBondContact OE2-CD 3.19Å; E1025-R1028 IonicContact OE2-CZ 2.74Å; E1025-R1028 IonicContact OE2-NE 3.63Å; E1025-R1028 PolarHBondContact OE2-NE 3.29Å; E1025-R1028 IonicContact OE2-NH2 3.02Å; R1028-F1030 VanDerWaalsContact C-N 3.33Å; R1028-E1031 PolarHBondContact O-N 2.03Å; R1028-E1032 IonicContact CZ-OE1 2.68Å; R1028-E1032 IonicContact CZ-OE2 2.74Å; R1028-E1032 IonicContact NH1-OE1 3.75Å; R1028-E1032 PolarHBondContact NH1-OE1 3.04Å; R1028-E1032 IonicContact NH1-OE2 4Å; R1028-E1032 PolarHBondContact NH1-OE2 3.43Å; R1028-E1032 IonicContact NH2-OE2 2.65Å; R1028-E1032 WeakPolarHBondContact O-CB 3.37Å; R1028-E1032 WeakPolarHBondContact O-CG 3Å; R1028-E1032 PolarHBondContact O-N 2.99Å |
| 1029 | I | 79.4 | Confident | 73.5 | Confident | 64 Ų | 64 | 104 Ų | 104 | 33% | 0.328 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -34 | 175.5 | -68.6 | 165.9 | 0 | 0 | 0 | 111.2 | E1025 L1027 R1033 | E1025-I1029 HydrophobicContact CG-CD1 4.14Å; E1025-I1029 WeakPolarHBondContact O-CB 3.43Å; E1025-I1029 VanDerWaalsContact O-CG1 3.25Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.16Å; E1025-I1029 PolarHBondContact O-N 2.81Å; L1027-I1029 PolarHBondContact O-N 2.76Å; I1029-R1033 VanDerWaalsContact O-CB 3.3Å; I1029-R1033 WeakPolarHBondContact O-CB 3.03Å; I1029-R1033 VanDerWaalsContact O-CG 3.25Å; I1029-R1033 WeakPolarHBondContact O-CG 3.47Å; I1029-R1033 PolarHBondContact O-N 2.7Å |
| 1030 | F | 79.9 | Confident | 73 | Confident | 121 Ų | 121 | 106.3 Ų | 106.3 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 175 | -168.8 | -99.6 | 0 | 0 | 0 | 111.7 | V1026 L1027 R1028 R1033 M1034 | V1026-F1030 VanDerWaalsContact O-CB 3.28Å; V1026-F1030 WeakPolarHBondContact O-CB 3.45Å; V1026-F1030 PolarHBondContact O-N 2.83Å; L1027-F1030 CarbonylContact O-C 3.51Å; L1027-F1030 WeakPolarHBondContact O-CB 3.46Å; L1027-F1030 PolarHBondContact O-N 2.92Å; L1027-F1030 VanDerWaalsContact O-N 3.13Å; R1028-F1030 VanDerWaalsContact C-N 3.33Å; F1030-R1033 PolarHBondContact O-N 3.09Å; F1030-M1034 HydrophobicContact CD1-CE 3.8Å; F1030-M1034 HydrophobicContact CD1-CG 4.16Å; F1030-M1034 HydrophobicContact CD1-SD 4.15Å; F1030-M1034 HydrophobicContact CE1-CE 3.58Å; F1030-M1034 HydrophobicContact CE1-CG 3.9Å; F1030-M1034 HydrophobicContact CE1-SD 3.48Å; F1030-M1034 WeakPolarHBondContact CE1-SD 3.33Å; F1030-M1034 HydrophobicContact CZ-CG 4.25Å; F1030-M1034 HydrophobicContact CZ-SD 4.04Å; F1030-M1034 WeakPolarHBondContact O-CB 2.95Å; F1030-M1034 WeakPolarHBondContact O-CG 3.37Å; F1030-M1034 PolarHBondContact O-N 3.4Å |
| 1031 | E | 73.6 | Confident | 71.9 | Confident | 128 Ų | 128 | 104.8 Ų | 104.8 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.7 | -43 | 173.8 | -73.3 | -171.8 | 147.5 | 0 | 0 | 112.2 | L1027 R1028 R1033 M1034 A1035 | L1027-E1031 WeakPolarHBondContact O-CG 3.32Å; L1027-E1031 PolarHBondContact O-N 3.11Å; R1028-E1031 PolarHBondContact O-N 2.03Å; E1031-R1033 VanDerWaalsContact C-N 3.34Å; E1031-R1033 PolarHBondContact O-N 3.39Å; E1031-M1034 PolarHBondContact O-N 3.49Å; E1031-A1035 VanDerWaalsContact O-CB 3.27Å; E1031-A1035 WeakPolarHBondContact O-CB 3.22Å; E1031-A1035 PolarHBondContact O-N 3.01Å |
| 1032 | E | 74.9 | Confident | 70 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 171.7 | -80.2 | -177.9 | 152.7 | 0 | 0 | 111.1 | R1028 A1035 V1036 | R1028-E1032 IonicContact CZ-OE1 2.68Å; R1028-E1032 IonicContact CZ-OE2 2.74Å; R1028-E1032 IonicContact NH1-OE1 3.75Å; R1028-E1032 PolarHBondContact NH1-OE1 3.04Å; R1028-E1032 IonicContact NH1-OE2 4Å; R1028-E1032 PolarHBondContact NH1-OE2 3.43Å; R1028-E1032 IonicContact NH2-OE2 2.65Å; R1028-E1032 WeakPolarHBondContact O-CB 3.37Å; R1028-E1032 WeakPolarHBondContact O-CG 3Å; R1028-E1032 PolarHBondContact O-N 2.99Å; E1032-A1035 PolarHBondContact O-N 2.88Å; E1032-V1036 WeakPolarHBondContact O-CG2 3.46Å; E1032-V1036 PolarHBondContact O-N 2.87Å |
| 1033 | R | 73.1 | Confident | 68.3 | Low | 190 Ų | 190 | 107.8 Ų | 107.8 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.4 | -35.6 | 179 | -73.5 | 179.3 | 177.5 | -154.9 | 0 | 112.7 | I1029 F1030 E1031 F1037 | I1029-R1033 VanDerWaalsContact O-CB 3.3Å; I1029-R1033 WeakPolarHBondContact O-CB 3.03Å; I1029-R1033 VanDerWaalsContact O-CG 3.25Å; I1029-R1033 WeakPolarHBondContact O-CG 3.47Å; I1029-R1033 PolarHBondContact O-N 2.7Å; F1030-R1033 PolarHBondContact O-N 3.09Å; E1031-R1033 VanDerWaalsContact C-N 3.34Å; E1031-R1033 PolarHBondContact O-N 3.39Å; R1033-F1037 VanDerWaalsContact O-CB 3.3Å; R1033-F1037 WeakPolarHBondContact O-CB 3.41Å; R1033-F1037 PolarHBondContact O-N 3.33Å |
| 1034 | M | 71.3 | Confident | 66.6 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 40% | 0.404 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 171.8 | -77.9 | -153.4 | -57 | 0 | 0 | 112 | F1030 E1031 F1037 L1038 | F1030-M1034 HydrophobicContact CD1-CE 3.8Å; F1030-M1034 HydrophobicContact CD1-CG 4.16Å; F1030-M1034 HydrophobicContact CD1-SD 4.15Å; F1030-M1034 HydrophobicContact CE1-CE 3.58Å; F1030-M1034 HydrophobicContact CE1-CG 3.9Å; F1030-M1034 HydrophobicContact CE1-SD 3.48Å; F1030-M1034 WeakPolarHBondContact CE1-SD 3.33Å; F1030-M1034 HydrophobicContact CZ-CG 4.25Å; F1030-M1034 HydrophobicContact CZ-SD 4.04Å; F1030-M1034 WeakPolarHBondContact O-CB 2.95Å; F1030-M1034 WeakPolarHBondContact O-CG 3.37Å; F1030-M1034 PolarHBondContact O-N 3.4Å; E1031-M1034 PolarHBondContact O-N 3.49Å; M1034-F1037 PolarHBondContact O-N 2.82Å; M1034-L1038 VanDerWaalsContact O-CB 3.26Å; M1034-L1038 WeakPolarHBondContact O-CB 3.32Å; M1034-L1038 WeakPolarHBondContact O-CG 3.39Å; M1034-L1038 PolarHBondContact O-N 3.3Å |
| 1035 | A | 68.3 | Low | 64.9 | Low | 57 Ų | 57 | 106.8 Ų | 106.8 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1031 E1032 S1039 | E1031-A1035 VanDerWaalsContact O-CB 3.27Å; E1031-A1035 WeakPolarHBondContact O-CB 3.22Å; E1031-A1035 PolarHBondContact O-N 3.01Å; E1032-A1035 PolarHBondContact O-N 2.88Å; A1035-S1039 WeakPolarHBondContact O-CB 3.14Å; A1035-S1039 PolarHBondContact O-N 3.39Å; A1035-S1039 PolarHBondContact O-OG 3.11Å |
| 1036 | V | 68.3 | Low | 62.8 | Low | 79 Ų | 79 | 107.8 Ų | 107.8 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -44.1 | 169.8 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | E1032 S1039 Q1040 | E1032-V1036 WeakPolarHBondContact O-CG2 3.46Å; E1032-V1036 PolarHBondContact O-N 2.87Å; V1036-S1039 WeakPolarHBondContact CA-OG 3.46Å; V1036-S1039 PolarHBondContact O-N 3.45Å; V1036-S1039 PolarHBondContact O-OG 3.25Å; V1036-Q1040 WeakPolarHBondContact O-CG 3.4Å; V1036-Q1040 PolarHBondContact O-N 3.06Å |
| 1037 | F | 66.6 | Low | 60.5 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 57% | 0.566 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -42.7 | 178.4 | -169.8 | -109.9 | 0 | 0 | 0 | 112.6 | R1033 M1034 Q1040 L1041 | R1033-F1037 VanDerWaalsContact O-CB 3.3Å; R1033-F1037 WeakPolarHBondContact O-CB 3.41Å; R1033-F1037 PolarHBondContact O-N 3.33Å; M1034-F1037 PolarHBondContact O-N 2.82Å; F1037-Q1040 PolarHBondContact O-N 3.37Å; F1037-L1041 HydrophobicContact CD1-CD1 3.73Å; F1037-L1041 HydrophobicContact CE1-CD1 3.65Å; F1037-L1041 HydrophobicContact CE1-CG 4.49Å; F1037-L1041 HydrophobicContact CZ-CD1 4.37Å; F1037-L1041 WeakPolarHBondContact O-CG 3.42Å; F1037-L1041 PolarHBondContact O-N 3.22Å |
| 1038 | L | 58.9 | Low | 58.8 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71 | -31 | 177.5 | -70.7 | 167.5 | 0 | 0 | 0 | 112.7 | M1034 L1041 | M1034-L1038 VanDerWaalsContact O-CB 3.26Å; M1034-L1038 WeakPolarHBondContact O-CB 3.32Å; M1034-L1038 WeakPolarHBondContact O-CG 3.39Å; M1034-L1038 PolarHBondContact O-N 3.3Å; L1038-L1041 HydrophobicContact CD2-CD1 4.16Å; L1038-L1041 PolarHBondContact O-N 3.23Å |
| 1039 | S | 58.9 | Low | 56.7 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.6 | -31.2 | 170.4 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | A1035 V1036 K1042 | A1035-S1039 WeakPolarHBondContact O-CB 3.14Å; A1035-S1039 PolarHBondContact O-N 3.39Å; A1035-S1039 PolarHBondContact O-OG 3.11Å; V1036-S1039 WeakPolarHBondContact CA-OG 3.46Å; V1036-S1039 PolarHBondContact O-N 3.45Å; V1036-S1039 PolarHBondContact O-OG 3.25Å; S1039-K1042 WeakPolarHBondContact O-CB 3.37Å; S1039-K1042 PolarHBondContact O-N 3.29Å |
| 1040 | Q | 56.5 | Low | 54.6 | Low | 152 Ų | 152 | 113.2 Ų | 113.2 | 71% | 0.71 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.7 | -29.5 | 169.2 | -72 | 179.9 | 14.6 | 0 | 0 | 113 | V1036 F1037 K1042 | V1036-Q1040 WeakPolarHBondContact O-CG 3.4Å; V1036-Q1040 PolarHBondContact O-N 3.06Å; F1037-Q1040 PolarHBondContact O-N 3.37Å; Q1040-K1042 PolarHBondContact O-N 3.48Å |
| 1041 | L | 50.3 | Low | 52.6 | Low | 101 Ų | 101 | 117.4 Ų | 117.4 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | -1.3 | 170.8 | -75.8 | 166 | 0 | 0 | 0 | 113.7 | F1037 L1038 L1043 | F1037-L1041 HydrophobicContact CD1-CD1 3.73Å; F1037-L1041 HydrophobicContact CE1-CD1 3.65Å; F1037-L1041 HydrophobicContact CE1-CG 4.49Å; F1037-L1041 HydrophobicContact CZ-CD1 4.37Å; F1037-L1041 WeakPolarHBondContact O-CG 3.42Å; F1037-L1041 PolarHBondContact O-N 3.22Å; L1038-L1041 HydrophobicContact CD2-CD1 4.16Å; L1038-L1041 PolarHBondContact O-N 3.23Å; L1041-L1043 VanDerWaalsContact C-N 3.26Å; L1041-L1043 PolarHBondContact O-N 3.13Å |
| 1042 | K | 39.4 | Very low | 51 | Low | 177 Ų | 177 | 115 Ų | 115 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -78.3 | 75.9 | 178.7 | -152 | 163.8 | -168.8 | 169.7 | 0 | 111 | S1039 Q1040 | S1039-K1042 WeakPolarHBondContact O-CB 3.37Å; S1039-K1042 PolarHBondContact O-N 3.29Å; Q1040-K1042 PolarHBondContact O-N 3.48Å | ||
| 1043 | L | 42.9 | Very low | 49 | Very low | 134 Ų | 134 | 119 Ų | 119 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | trans | -40.2 | 126.3 | 174.1 | -75.4 | 162.3 | 0 | 0 | 0 | 112 | L1041 A1045 M1047 | L1041-L1043 VanDerWaalsContact C-N 3.26Å; L1041-L1043 PolarHBondContact O-N 3.13Å; L1043-A1045 PolarHBondContact O-N 3.39Å; L1043-M1047 HydrophobicContact CD2-CE 4.25Å | ||
| 1044 | P | 37.8 | Very low | 47.4 | Very low | 95 Ų | 95 | 113.3 Ų | 113.3 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | trans | -60.8 | 126.8 | 167.5 | -22.1 | 33.4 | 0 | 0 | 0 | 110.1 | A1046 M1047 | P1044-A1046 PolarHBondContact O-N 3.49Å; P1044-M1047 PolarHBondContact O-N 3.43Å | ||
| 1045 | A | 39.1 | Very low | 45.7 | Very low | 92 Ų | 92 | 120.8 Ų | 120.8 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 8.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1043 | L1043-A1045 PolarHBondContact O-N 3.39Š|
| 1046 | A | 39.7 | Very low | 44.5 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -20.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1044 L1048 | P1044-A1046 PolarHBondContact O-N 3.49Å; A1046-L1048 VanDerWaalsContact C-N 3.34Å |
| 1047 | M | 34.6 | Very low | 43.5 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -4.1 | 179.3 | -68.8 | -145.8 | -57.4 | 0 | 0 | 114.9 | L1043 P1044 | L1043-M1047 HydrophobicContact CD2-CE 4.25Å; P1044-M1047 PolarHBondContact O-N 3.43Å |
| 1048 | L | 38 | Very low | 42.5 | Very low | 172 Ų | 172 | 123 Ų | 123 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 4.6 | 174.8 | -73.8 | 170.1 | 0 | 0 | 0 | 113.6 | A1046 | A1046-L1048 VanDerWaalsContact C-N 3.34Š|
| 1049 | A | 39.5 | Very low | 42 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -117.1 | 34.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1050 | A | 35.1 | Very low | 41.8 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | trans | -135.4 | 13.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1052 | A1050-A1052 PolarHBondContact O-N 3.3Å; A1050-A1052 VanDerWaalsContact O-N 3.13Å | ||
| 1051 | Q | 38.6 | Very low | 41.3 | Very low | 210 Ų | 210 | 123.7 Ų | 123.7 | 98% | 0.981 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 69.1 | 156.8 | -80.3 | -165.2 | -11.1 | 0 | 0 | 109.7 | ||
| 1052 | A | 38.9 | Very low | 41.7 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.7 | -15.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1050 | A1050-A1052 PolarHBondContact O-N 3.3Å; A1050-A1052 VanDerWaalsContact O-N 3.13Å |
| 1053 | H | 33.7 | Very low | 42.1 | Very low | 181 Ų | 181 | 118.9 Ų | 118.9 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -121.8 | 112 | 167.3 | -64 | -58.9 | 0 | 0 | 0 | 108.9 | ||
| 1054 | G | 38.4 | Very low | 42.2 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 154.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1055 | R | 36.1 | Very low | 42.8 | Very low | 239 Ų | 239 | 120.9 Ų | 120.9 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 136.7 | 165.2 | -67.2 | -177 | 178.1 | -169.8 | -0.5 | 107.9 | G1057 | R1055-G1057 PolarHBondContact O-N 3.49Š|
| 1056 | P | 43 | Very low | 43.3 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 133.7 | 178.7 | -29.1 | 35.3 | 0 | 0 | 0 | 110.7 | ||
| 1057 | G | 47.3 | Very low | 43.6 | Very low | 60 Ų | 60 | 122 Ų | 122 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 149.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1055 | R1055-G1057 PolarHBondContact O-N 3.49Š|
| 1058 | P | 45.3 | Very low | 44.1 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.7 | 173.5 | 25.1 | -33.9 | 0 | 0 | 0 | 108.6 | G1060 | P1058-G1060 PolarHBondContact O-N 3.27Š|
| 1059 | P | 49.7 | Very low | 44.5 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 143.8 | -176.3 | -29.2 | 35.2 | 0 | 0 | 0 | 112.3 | ||
| 1060 | G | 54.1 | Low | 44.4 | Very low | 47 Ų | 47 | 120 Ų | 120 | 49% | 0.485 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 158.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1058 D1062 G1063 | P1058-G1060 PolarHBondContact O-N 3.27Å; G1060-D1062 PolarHBondContact O-N 3.46Å; G1060-G1063 PolarHBondContact O-N 3.02Å |
| 1061 | K | 46.8 | Very low | 44.8 | Very low | 207 Ų | 207 | 122.4 Ų | 122.4 | 90% | 0.9 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -3 | -171.9 | -65.3 | -177 | 178 | 178.9 | 0 | 114.4 | ||
| 1062 | D | 56.8 | Low | 44.8 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -6.8 | -174.8 | -22.1 | -64.2 | 0 | 0 | 0 | 112.2 | G1060 L1064 | G1060-D1062 PolarHBondContact O-N 3.46Å; D1062-L1064 PolarHBondContact O-N 2.81Å |
| 1063 | G | 49.3 | Very low | 44.8 | Very low | 55 Ų | 55 | 118.5 Ų | 118.5 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | trans | 83.7 | 1.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | G1060 | G1060-G1063 PolarHBondContact O-N 3.02Š| ||
| 1064 | L | 45.2 | Very low | 45 | Very low | 149 Ų | 149 | 118 Ų | 118 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 140.9 | 177.8 | -67.5 | 176.9 | 0 | 0 | 0 | 112.9 | D1062 | D1062-L1064 PolarHBondContact O-N 2.81Š|
| 1065 | P | 49 | Very low | 44.8 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.7 | 169.1 | -17.7 | 31.7 | 0 | 0 | 0 | 112.3 | ||
| 1066 | G | 51 | Low | 44.9 | Very low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 159 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1067 | P | 44.6 | Very low | 44.5 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -68 | 150.1 | -179.2 | 28.7 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 1068 | P | 46.8 | Very low | 43.9 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65 | 151.2 | 172 | -19 | 32.6 | 0 | 0 | 0 | 112.8 | ||
| 1069 | G | 46.2 | Very low | 43.4 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 161.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1070 | D | 36.5 | Very low | 42.6 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 145.1 | -170.4 | -65.2 | -61.2 | 0 | 0 | 0 | 114.9 | ||
| 1071 | P | 42.7 | Very low | 41.5 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76 | 144.1 | 177.9 | -15.8 | 31.4 | 0 | 0 | 0 | 114.7 | ||
| 1072 | G | 40.6 | Very low | 40.9 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 162.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1073 | P | 37.5 | Very low | 39.9 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 158.3 | -171.2 | 31.4 | -36.5 | 0 | 0 | 0 | 115.3 | ||
| 1074 | Q | 38.9 | Very low | 39 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 158.3 | 179.5 | -68 | -177.7 | -36.4 | 0 | 0 | 113.9 | ||
| 1075 | G | 34.6 | Very low | 38.5 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -129.4 | 163.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1076 | Y | 36.5 | Very low | 38.5 | Very low | 206 Ų | 206 | 134.4 Ų | 134.4 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -131.1 | 133.9 | -162.7 | -87.8 | -82.9 | 0 | 0 | 0 | 116.4 | ||||
| 1077 | R | 34.9 | Very low | 37.5 | Very low | 238 Ų | 238 | 135 Ų | 135 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | 71.2 | 136.4 | 133.7 | -159.1 | 178.1 | -161.8 | 167.2 | 5.7 | 122 | ||||
| 1078 | G | 35.6 | Very low | 37.3 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -171.6 | 152.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1079 | Q | 33.5 | Very low | 36.6 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -157.8 | -175.7 | 177.8 | -56.9 | -171.3 | -25.5 | 0 | 0 | 109.6 | ||||
| 1080 | K | 32.8 | Very low | 36 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | cis | -157.2 | 137.5 | 7.1 | 176.5 | -106.8 | 170.6 | -168 | 0 | 111.4 | E1082 | K1080-E1082 IonicContact NZ-OE2 3.14Å; K1080-E1082 PolarHBondContact NZ-OE2 3.49Å | ||
| 1081 | G | 32.3 | Very low | 36.6 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 78.6 | 178.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1082 | E | 33.7 | Very low | 36 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 65% | 0.654 | 80% | 0.802 | S | S | * | * | cis | -159.5 | 145.7 | -20.8 | -148.3 | 172 | 137.2 | 0 | 0 | 111.1 | K1080 | K1080-E1082 IonicContact NZ-OE2 3.14Å; K1080-E1082 PolarHBondContact NZ-OE2 3.49Å | ||
| 1083 | R | 35.9 | Very low | 35.6 | Very low | 231 Ų | 231 | 138 Ų | 138 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 28.7 | 127.9 | 161.5 | -161 | -173.8 | -46.5 | -158.3 | 5.5 | 122.1 | ||||
| 1084 | G | 31.4 | Very low | 36.2 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -172.1 | 137.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1085 | E | 34 | Very low | 35.8 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -152.1 | 167.6 | 174.9 | -107.5 | -165.5 | 158.2 | 0 | 0 | 107.8 | ||||
| 1086 | P | 47.9 | Very low | 35.8 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | cis | -126 | -168.4 | -24.5 | 38.8 | -22.4 | 0 | 0 | 0 | 111.4 | ||||
| 1087 | G | 30.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -167.5 | 140.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1088 | I | 41.3 | Very low | 36.2 | Very low | 179 Ų | 179 | 125.9 Ų | 125.9 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | -115 | 140.6 | -177 | -61.5 | 170.9 | 0 | 0 | 0 | 109.8 | ||||
| 1089 | G | 32 | Very low | 36.1 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -158.8 | 132 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1090 | L | 33.7 | Very low | 36 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -102.3 | 165.1 | 177.7 | -85.9 | 170.5 | 0 | 0 | 0 | 111.2 | ||||
| 1091 | P | 48.7 | Very low | 36 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -87.8 | 162.1 | -156.7 | 34.6 | -37.9 | 0 | 0 | 0 | 115.7 | ||||
| 1092 | G | 30.3 | Very low | 36 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -134.4 | 154 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1093 | S | 32 | Very low | 36 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -129.5 | -164.9 | -171.3 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1094 | P | 50 | Low | 36 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | -107.4 | 174.3 | -102.4 | 39.2 | -27.4 | 0 | 0 | 0 | 114.9 | |||||
| 1095 | G | 29 | Very low | 36.7 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -146 | 148.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1096 | L | 35.2 | Very low | 36.6 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -135.3 | 178.8 | 177 | -68.8 | 168.7 | 0 | 0 | 0 | 108 | ||||
| 1097 | P | 49.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | -121.8 | -178 | -63.5 | 38.2 | -24.4 | 0 | 0 | 0 | 111.2 | |||||
| 1098 | G | 29.7 | Very low | 36.9 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -148.1 | 149.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1099 | T | 35 | Very low | 36.6 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -135.5 | 170 | -169.1 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1100 | S | 31.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 116 Ų | 116 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | 85.2 | 148.9 | 168.5 | -41.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1101 | A | 32.8 | Very low | 37.9 | Very low | 84 Ų | 84 | 114 Ų | 114 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | cis | -167.5 | 150.6 | -26.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1102 | L | 32.4 | Very low | 37.6 | Very low | 175 Ų | 175 | 111.2 Ų | 111.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | 56.7 | 125.3 | 151.5 | -69.1 | 164.2 | 0 | 0 | 0 | 122 | ||||
| 1103 | G | 32.5 | Very low | 38 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -165.6 | 140.2 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1104 | L | 36.9 | Very low | 38.5 | Very low | 167 Ų | 167 | 117.8 Ų | 117.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -106.1 | 164.5 | -163.6 | -80.4 | 171.7 | 0 | 0 | 0 | 114.8 | ||||
| 1105 | P | 45.2 | Very low | 38.1 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -104.2 | 172.6 | -154.5 | 40.5 | -38.3 | 0 | 0 | 0 | 116.6 | ||||
| 1106 | G | 32.9 | Very low | 38.7 | Very low | 78 Ų | 78 | 117 Ų | 117 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -111.5 | 158.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1107 | S | 36.8 | Very low | 39.3 | Very low | 121 Ų | 121 | 115 Ų | 115 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 160.4 | -164.5 | 34 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1108 | P | 47.3 | Very low | 38.7 | Very low | 128 Ų | 128 | 111.3 Ų | 111.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 161.6 | -166.7 | 37.5 | -37.2 | 0 | 0 | 0 | 115.7 | ||
| 1109 | G | 36.1 | Very low | 39.1 | Very low | 75 Ų | 75 | 112.5 Ų | 112.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 156.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1110 | A | 42.1 | Very low | 39.6 | Very low | 100 Ų | 100 | 111 Ų | 111 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 144.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1111 | P | 49.1 | Very low | 39.8 | Very low | 128 Ų | 128 | 107.1 Ų | 107.1 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 152.8 | 172.9 | -14.1 | 30 | 0 | 0 | 0 | 114 | ||
| 1112 | G | 42.7 | Very low | 40.3 | Very low | 66 Ų | 66 | 110.6 Ų | 110.6 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 164 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1113 | P | 40.5 | Very low | 40.5 | Very low | 141 Ų | 141 | 107.7 Ų | 107.7 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 153.8 | -171.6 | 29.1 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 1114 | Q | 42.2 | Very low | 40.5 | Very low | 194 Ų | 194 | 109.4 Ų | 109.4 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 137.3 | -172.7 | -166.5 | 172 | 36.9 | 0 | 0 | 112.2 | ||
| 1115 | G | 40.3 | Very low | 41.1 | Very low | 61 Ų | 61 | 106.3 Ų | 106.3 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 156.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1116 | P | 42.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 107.5 Ų | 107.5 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 156.1 | -172.6 | 30.8 | -36 | 0 | 0 | 0 | 113.9 | ||
| 1117 | P | 47.7 | Very low | 41.3 | Very low | 127 Ų | 127 | 110.6 Ų | 110.6 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 146.5 | -174.8 | -6.6 | 26 | 0 | 0 | 0 | 113.9 | ||
| 1118 | G | 37.7 | Very low | 41.5 | Very low | 48 Ų | 48 | 110 Ų | 110 | 50% | 0.495 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 156.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1119 | P | 37.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 111 Ų | 111 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 172.3 | -179.4 | 12.4 | -12 | 0 | 0 | 0 | 114.5 | G689 | G689-P1119 CarbonylContact C-O 3.35Å; G689-P1119 WeakPolarHBondContact CA-O 3.05Å; G689-P1119 CarbonylContact O-C 3.51Å; G689-P1119 WeakPolarHBondContact O-CA 3.26Å; G689-P1119 WeakPolarHBondContact O-CB 3.14Å; G689-P1119 VanDerWaalsContact O-CG 3.22Å; G689-P1119 WeakPolarHBondContact O-CG 3.35Å |
| 1120 | S | 45.7 | Very low | 40.7 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | -132.3 | 150.3 | -162.9 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1121 | G | 34.2 | Very low | 40.3 | Very low | 35 Ų | 35 | 119 Ų | 119 | 36% | 0.361 | 72% | 0.717 | S | S | . | * | trans | -152.7 | 150.9 | -171 | 0 | 0 | 0 | 0 | 0 | 116.4 | A690 L691 | A690-G1121 VanDerWaalsContact CB-N 3.31Å; L691-G1121 VanDerWaalsContact N-CA 3.35Å; L691-G1121 WeakPolarHBondContact O-CA 3.06Å | ||
| 1122 | R | 44.4 | Very low | 39.4 | Very low | 158 Ų | 158 | 119 Ų | 119 | 60% | 0.596 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 134.3 | 176.1 | -68.2 | 160.4 | -129.1 | 158.5 | 3.6 | 110.5 | L692 | L692-R1122 HydrophobicContact CD1-CB 4Å; L692-R1122 HydrophobicContact CD1-CG 3.79Å; L692-R1122 VanDerWaalsContact CD1-CZ 3.47Å; L692-R1122 HydrophobicContact CD2-CB 4.16Å; L692-R1122 HydrophobicContact CD2-CG 4.47Å; L692-R1122 HydrophobicContact CG-CB 4.32Å |
| 1123 | C | 35.3 | Very low | 38.8 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 162.4 | 152.4 | -60.5 | 0 | 0 | 0 | 0 | 110 | ||
| 1124 | N | 33.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 140.8 | 171.1 | -159.3 | 32.4 | 0 | 0 | 0 | 109.7 | E1126 | N1124-E1126 VanDerWaalsContact C-N 3.29Å; N1124-E1126 PolarHBondContact O-N 3.41Å |
| 1125 | P | 47.9 | Very low | 37.6 | Very low | 103 Ų | 103 | 119 Ų | 119 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -70.5 | -16.3 | -174.2 | -23.2 | 35.8 | 0 | 0 | 0 | 116.2 | D1127 | P1125-D1127 VanDerWaalsContact C-N 3.34Å; P1125-D1127 PolarHBondContact O-N 3.15Å |
| 1126 | E | 41.5 | Very low | 37.2 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -69.7 | -23.5 | -172.7 | -64 | -69.8 | 120 | 0 | 0 | 114.2 | N1124 C1128 | N1124-E1126 VanDerWaalsContact C-N 3.29Å; N1124-E1126 PolarHBondContact O-N 3.41Å; E1126-C1128 PolarHBondContact O-N 3.29Å; E1126-C1128 VanDerWaalsContact O-N 3.09Å |
| 1127 | D | 42.2 | Very low | 36.6 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -73.6 | 3.7 | -179 | -66.9 | -52.4 | 0 | 0 | 0 | 113.9 | P1125 | P1125-D1127 VanDerWaalsContact C-N 3.34Å; P1125-D1127 PolarHBondContact O-N 3.15Å |
| 1128 | C | 41.5 | Very low | 35.8 | Very low | 107 Ų | 107 | 134 Ų | 134 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | trans | -118.9 | 45.5 | -169.5 | -77.4 | 0 | 0 | 0 | 0 | 114.5 | E1126 | E1126-C1128 PolarHBondContact O-N 3.29Å; E1126-C1128 VanDerWaalsContact O-N 3.09Å | ||
| 1129 | L | 32.5 | Very low | 35.7 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -118.5 | 92 | 173.5 | -73 | 177.2 | 0 | 0 | 0 | 113.6 | ||||
| 1130 | Y | 34.1 | Very low | 35.3 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -74 | 135.4 | 156.4 | -90.2 | -100.8 | 0 | 0 | 0 | 109.9 | V1132 | Y1130-V1132 PolarHBondContact O-N 3.44Š| ||
| 1131 | P | 33.8 | Very low | 34.8 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -75.5 | 91 | 171.6 | 30.6 | -33.5 | 0 | 0 | 0 | 110.9 | S1133 | P1131-S1133 PolarHBondContact O-N 3.41Š| ||
| 1132 | V | 29.4 | Very low | 34.7 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 118.9 | 168.7 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | Y1130 Q1134 | Y1130-V1132 PolarHBondContact O-N 3.44Å; V1132-Q1134 PolarHBondContact O-N 3.37Å |
| 1133 | S | 28.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118.3 | 175.8 | -60 | 0 | 0 | 0 | 0 | 110.5 | P1131 A1135 | P1131-S1133 PolarHBondContact O-N 3.41Å; S1133-A1135 PolarHBondContact O-N 3.31Å |
| 1134 | Q | 28.9 | Very low | 34.1 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 121.3 | 171.9 | -75.4 | -171.1 | -11 | 0 | 0 | 110.2 | V1132 | V1132-Q1134 PolarHBondContact O-N 3.37Š|
| 1135 | A | 29.9 | Very low | 34.2 | Very low | 93 Ų | 93 | 152.3 Ų | 152.3 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 142.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1133 Q1137 | S1133-A1135 PolarHBondContact O-N 3.31Å; A1135-Q1137 PolarHBondContact O-N 2.66Å |
| 1136 | H | 31.9 | Very low | 33.3 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 126.1 | 170.6 | -89.3 | -40.3 | 0 | 0 | 0 | 110.8 | R1138 | H1136-R1138 PolarHBondContact O-N 2.64Š|
| 1137 | Q | 30.3 | Very low | 32.8 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 89% | 0.888 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.8 | 159.2 | -71.5 | 179.6 | -27.5 | 0 | 0 | 109.2 | A1135 | A1135-Q1137 PolarHBondContact O-N 2.66Š|
| 1138 | R | 29.6 | Very low | 32.2 | Very low | 245 Ų | 245 | 156.7 Ų | 156.7 | 93% | 0.925 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 140 | 149.2 | -94.9 | -171.6 | 171.7 | -174.1 | -1.4 | 108.9 | H1136 | H1136-R1138 PolarHBondContact O-N 2.64Š|
| 1139 | T | 35.1 | Very low | 31.5 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 90% | 0.896 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 157.8 | 179.9 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1140 | G | 30.7 | Very low | 31.5 | Very low | 80 Ų | 80 | 161 Ų | 161 | 83% | 0.825 | 88% | 0.878 | S | S | * | * | trans | 135.9 | 76.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1141 | G | 35.6 | Very low | 31.2 | Very low | 78 Ų | 78 | 156.5 Ų | 156.5 | 80% | 0.804 | 88% | 0.88 | S | S | * | * | trans | -84.5 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1142 | K | 30.9 | Very low | 31 | Very low | 286 Ų | 286 | 159.2 Ų | 159.2 | 100% | 1.243 | 89% | 0.886 | S | S | * | * | trans | -151.8 | 0 | 146.6 | -112.2 | -178.1 | -179.2 | -177.9 | 0 | 109.2 |
Retrieved 1,142 of 1,142 residues in 1692.5 ms
(Link to these results)