| 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 | 50.3 | Low | 49.4 | Very low | 253 Ų | 253 | 135.8 Ų | 135.8 | 100% | 1.246 | 86% | 0.856 | S | S | * | * | 0 | 120.9 | 0 | -77.5 | 146.1 | 98.2 | 0 | 0 | 107.6 | |||||
| 2 | G | 49.3 | Very low | 49.5 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 88% | 0.876 | 85% | 0.854 | S | S | * | * | trans | 169.7 | 82.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | A | 43.6 | Very low | 50.1 | Low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | trans | -91.8 | 160.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | S | 43.5 | Very low | 49.8 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | trans | 109.8 | 121.8 | 155.4 | -154.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 5 | G | 41.3 | Very low | 49.4 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 85% | 0.852 | S | S | * | * | trans | 176 | 82.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | S | 52.8 | Low | 49 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -48.9 | 121.8 | -170.1 | -33.3 | 0 | 0 | 0 | 0 | 115.8 | A8 | S6-A8 PolarHBondContact O-N 3.05Š| ||
| 7 | K | 48.4 | Very low | 48.8 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | trans | -88 | 92.1 | 161.2 | -74.3 | -175.9 | 176.5 | 176.7 | 0 | 109.1 | R9 | K7-R9 PolarHBondContact O-N 3.06Š| ||
| 8 | A | 52.6 | Low | 48.5 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | -71.4 | 94.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | S6 G10 | S6-A8 PolarHBondContact O-N 3.05Å; A8-G10 PolarHBondContact O-N 3.31Å | ||
| 9 | R | 56.6 | Low | 47.9 | Very low | 217 Ų | 217 | 133.1 Ų | 133.1 | 82% | 0.819 | 84% | 0.844 | S | S | * | * | trans | -76.1 | 109.5 | 164 | -78.5 | -175.9 | 164.7 | -150.2 | -3.6 | 106.9 | K7 L11 | K7-R9 PolarHBondContact O-N 3.06Å; R9-L11 PolarHBondContact O-N 3.1Å; R9-L11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | G | 49.8 | Very low | 47.2 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 85% | 0.847 | S | S | * | * | trans | -54.6 | 116.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A8 W12 | A8-G10 PolarHBondContact O-N 3.31Å; G10-W12 PolarHBondContact O-N 2.61Å | ||
| 11 | L | 55.3 | Low | 46.5 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | trans | -74.9 | 110.1 | 171.2 | -101.1 | 66.1 | 0 | 0 | 0 | 107.9 | R9 | R9-L11 PolarHBondContact O-N 3.1Å; R9-L11 VanDerWaalsContact O-N 3.14Å | ||
| 12 | W | 50.2 | Low | 45.6 | Very low | 220 Ų | 220 | 120 Ų | 120 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | trans | -75.6 | 136.3 | 163 | -69.3 | 73.3 | 0 | 0 | 0 | 108.3 | G10 F14 | G10-W12 PolarHBondContact O-N 2.61Å; W12-F14 PolarHBondContact O-N 2.76Å | ||
| 13 | P | 57.1 | Low | 44.9 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 17.5 | -168.5 | 33.5 | -35.4 | 0 | 0 | 0 | 114.5 | ||
| 14 | F | 46.4 | Very low | 44.9 | Very low | 185 Ų | 185 | 127 Ų | 127 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 11.8 | -178.6 | -165.6 | -100.1 | 0 | 0 | 0 | 114.5 | W12 S16 | W12-F14 PolarHBondContact O-N 2.76Å; F14-S16 PolarHBondContact O-N 2.81Å |
| 15 | A | 43.1 | Very low | 44.5 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -79.6 | 81.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A17 | A15-A17 PolarHBondContact O-N 2.82Š| ||
| 16 | S | 43.5 | Very low | 44.3 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119.8 | 162.6 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | F14 | F14-S16 PolarHBondContact O-N 2.81Š|
| 17 | A | 45.1 | Very low | 43.6 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 133 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | A15 | A15-A17 PolarHBondContact O-N 2.82Š|
| 18 | A | 44.4 | Very low | 43.3 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126.5 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 19 | G | 36.7 | Very low | 43.1 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -158.5 | 118.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 20 | G | 33.5 | Very low | 42.9 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -84.6 | 169.3 | -158.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 21 | G | 32.4 | Very low | 43.1 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | 102.3 | 95.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 22 | G | 31.9 | Very low | 43.2 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 98.1 | 100.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 23 | S | 35.4 | Very low | 43.4 | Very low | 129 Ų | 129 | 115.3 Ų | 115.3 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | 156.7 | 127.5 | 120.2 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 24 | E | 43.7 | Very low | 43.4 | Very low | 202 Ų | 202 | 117.3 Ų | 117.3 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -70 | 130.4 | 176 | -60 | -175.9 | 122.8 | 0 | 0 | 111.5 | ||||
| 25 | A | 33.8 | Very low | 43.9 | Very low | 95 Ų | 95 | 112.5 Ų | 112.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -170.4 | 108.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 26 | A | 38 | Very low | 44.6 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 36.2 | 121.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 27 | G | 38.4 | Very low | 45.4 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 92.8 | 75.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E29 | G27-E29 PolarHBondContact O-N 2.81Š| ||
| 28 | A | 41 | Very low | 46.3 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -66 | 76.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q30 | A28-Q30 PolarHBondContact O-N 3.3Š| ||
| 29 | E | 49.2 | Very low | 47.3 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -58.6 | 84.2 | 147.7 | -66.4 | -75.8 | 123.9 | 0 | 0 | 104.2 | G27 A31 | G27-E29 PolarHBondContact O-N 2.81Å; E29-A31 PolarHBondContact O-N 2.75Å | ||
| 30 | Q | 52.1 | Low | 49 | Very low | 180 Ų | 180 | 121.1 Ų | 121.1 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | -62.9 | 78.3 | 157.4 | -73.9 | -173.4 | 11.5 | 0 | 0 | 104.6 | A28 L32 | A28-Q30 PolarHBondContact O-N 3.3Å; Q30-L32 PolarHBondContact O-N 3.43Å | ||
| 31 | A | 54.7 | Low | 51.2 | Low | 78 Ų | 78 | 121.1 Ų | 121.1 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | trans | -65.2 | 85.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 104.3 | E29 V33 | E29-A31 PolarHBondContact O-N 2.75Å; A31-V33 VanDerWaalsContact C-N 3.31Å; A31-V33 PolarHBondContact O-N 2.81Å | ||
| 32 | L | 57.3 | Low | 53.6 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 56% | 0.56 | 71% | 0.708 | S | S | * | * | trans | -44.5 | 106.3 | 165.1 | 176.4 | 67.3 | 0 | 0 | 0 | 104.2 | Q30 R34 F103 | Q30-L32 PolarHBondContact O-N 3.43Å; L32-R34 PolarHBondContact O-N 2.98Å; L32-F103 HydrophobicContact CD2-CD1 4.09Å; L32-F103 HydrophobicContact CD2-CE1 4.15Å | ||
| 33 | V | 53.7 | Low | 56.3 | Low | 132 Ų | 132 | 120.8 Ų | 120.8 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | trans | -57.7 | 97.8 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 104.5 | A31 P35 | A31-V33 VanDerWaalsContact C-N 3.31Å; A31-V33 PolarHBondContact O-N 2.81Å; V33-P35 WeakPolarHBondContact O-CD 3.45Å | ||
| 34 | R | 56.9 | Low | 58.9 | Low | 180 Ų | 180 | 116.7 Ų | 116.7 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | trans | -67.7 | 109.9 | -175.8 | -172.4 | 166.5 | 178 | 164.5 | -1.7 | 104.1 | L32 R36 A39 | L32-R34 PolarHBondContact O-N 2.98Å; R34-R36 PolarHBondContact O-N 2.83Å; R34-A39 VanDerWaalsContact NH2-CB 3.32Å | ||
| 35 | P | 56.3 | Low | 61.1 | Low | 84 Ų | 84 | 112.9 Ų | 112.9 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | trans | -55.1 | 124 | 175.4 | 23.4 | -31 | 0 | 0 | 0 | 105.5 | V33 G37 | V33-P35 WeakPolarHBondContact O-CD 3.45Å; P35-G37 PolarHBondContact O-N 3.5Å | ||
| 36 | R | 58.4 | Low | 64 | Low | 264 Ų | 264 | 111.7 Ų | 111.7 | 100% | 0.996 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -66.5 | 87.7 | 179.1 | -76.3 | -157.3 | 172.8 | -168.3 | 0.5 | 107.6 | R34 | R34-R36 PolarHBondContact O-N 2.83Š|
| 37 | G | 61.2 | Low | 66.5 | Low | 54 Ų | 54 | 111.7 Ų | 111.7 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -156.6 | 168.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P35 A39 | P35-G37 PolarHBondContact O-N 3.5Å; G37-A39 PolarHBondContact O-N 2.87Å |
| 38 | R | 62.7 | Low | 69.1 | Low | 233 Ų | 233 | 119.7 Ų | 119.7 | 88% | 0.879 | 61% | 0.611 | S | S | * | * | trans | -43.1 | 133.7 | 178.9 | -170.3 | 176.3 | -174.9 | 178.6 | 1.5 | 109.9 | V40 | R38-V40 VanDerWaalsContact C-N 3.3Å; R38-V40 WeakPolarHBondContact O-CG2 3.34Å; R38-V40 PolarHBondContact O-N 3.07Å | ||
| 39 | A | 66.1 | Low | 71.4 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | trans | -65.3 | 89.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | R34 G37 | R34-A39 VanDerWaalsContact NH2-CB 3.32Å; G37-A39 PolarHBondContact O-N 2.87Å | ||
| 40 | V | 71.7 | Confident | 73.4 | Confident | 49 Ų | 49 | 111.4 Ų | 111.4 | 30% | 0.297 | 57% | 0.569 | S | S | . | * | trans | -83.8 | 128.2 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 107.5 | R38 F103 | R38-V40 VanDerWaalsContact C-N 3.3Å; R38-V40 WeakPolarHBondContact O-CG2 3.34Å; R38-V40 PolarHBondContact O-N 3.07Å; V40-F103 WeakPolarHBondContact O-CZ 3.48Å | ||
| 41 | P | 79.6 | Confident | 75.5 | Confident | 85 Ų | 85 | 104.8 Ų | 104.8 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | trans | -62.1 | 138.1 | 176.3 | 25.5 | -33.2 | 0 | 0 | 0 | 110 | F43 | P41-F43 PolarHBondContact O-N 2.84Š| ||
| 42 | P | 84.3 | Confident | 77.5 | Confident | 56 Ų | 56 | 104.5 Ų | 104.5 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -65.2 | -26.2 | -178.9 | 25.2 | -33.7 | 0 | 0 | 0 | 112.6 | I99 H100 F103 | P42-I99 CarbonylContact O-C 3.54Å; P42-I99 WeakPolarHBondContact O-CA 3.49Å; P42-H100 PolarHBondContact O-N 3.04Å; P42-F103 HydrophobicContact CB-CD1 4Å; P42-F103 HydrophobicContact CB-CD2 4.26Å; P42-F103 HydrophobicContact CB-CE1 3.92Å; P42-F103 HydrophobicContact CB-CE2 4.16Å; P42-F103 HydrophobicContact CB-CG 4.17Å; P42-F103 HydrophobicContact CB-CZ 3.99Å |
| 43 | F | 87.8 | Confident | 79.3 | Confident | 97 Ų | 97 | 103.6 Ų | 103.6 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.2 | 179.9 | -61 | -67.8 | 0 | 0 | 0 | 112 | P41 F45 P97 R98 | P41-F43 PolarHBondContact O-N 2.84Å; F43-F45 HydrophobicContact CB-CD2 4.33Å; F43-F45 HydrophobicContact CB-CE2 3.6Å; F43-F45 HydrophobicContact CB-CZ 3.82Å; F43-P97 HydrophobicContact CB-CB 4.35Å; F43-R98 CarbonylContact C-O 3.58Å; F43-R98 WeakPolarHBondContact CA-O 3.26Å |
| 44 | V | 89.9 | Confident | 81.3 | Confident | 43 Ų | 43 | 98.8 Ų | 98.8 | 26% | 0.261 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 109.8 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 108 | T46 L94 R98 H100 | V44-T46 WeakPolarHBondContact CG1-O 3.46Å; V44-L94 HydrophobicContact CG1-CD1 4.02Å; V44-L94 WeakPolarHBondContact O-CD1 3.08Å; V44-R98 PolarHBondContact N-O 3.13Å; V44-R98 PolarHBondContact O-N 3.41Å; V44-H100 HydrophobicContact CG2-CB 3.9Å |
| 45 | F | 90.8 | Very high | 82.9 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -12.9 | -179.8 | -64.8 | -87.8 | 0 | 0 | 0 | 113.2 | F43 K93 L94 P97 | F43-F45 HydrophobicContact CB-CD2 4.33Å; F43-F45 HydrophobicContact CB-CE2 3.6Å; F43-F45 HydrophobicContact CB-CZ 3.82Å; F45-K93 CarbonylContact O-C 3.59Å; F45-K93 WeakPolarHBondContact O-CA 3.42Å; F45-L94 PolarHBondContact O-N 3.04Å; F45-P97 HydrophobicContact CD1-CB 3.71Å; F45-P97 HydrophobicContact CD1-CG 4.28Å; F45-P97 HydrophobicContact CE1-CB 3.71Å; F45-P97 HydrophobicContact CE1-CG 3.87Å; F45-P97 HydrophobicContact CG-CB 4.3Å; F45-P97 HydrophobicContact CZ-CB 4.29Å |
| 46 | T | 93 | Very high | 84.6 | Confident | 69 Ų | 69 | 100.3 Ų | 100.3 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 146.7 | -178.9 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | V44 I91 V92 K93 | V44-T46 WeakPolarHBondContact CG1-O 3.46Å; T46-I91 VanDerWaalsContact CB-CG2 3.47Å; T46-I91 HydrophobicContact CG2-CG2 3.84Å; T46-V92 CarbonylContact C-O 3.48Å; T46-V92 VanDerWaalsContact CA-O 3.24Å; T46-V92 WeakPolarHBondContact CA-O 3Å; T46-K93 HydrophobicContact CG2-CG 4.35Å |
| 47 | R | 91.8 | Very high | 86.2 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 40% | 0.4 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.3 | 171 | 68.3 | 173.2 | -172 | -105.3 | 3.9 | 110.3 | G49 V92 L94 | R47-G49 PolarHBondContact O-N 2.76Å; R47-V92 HydrophobicContact CG-CB 4.02Å; R47-V92 PolarHBondContact N-O 3.46Å; R47-V92 PolarHBondContact O-N 2.85Å; R47-L94 HydrophobicContact CB-CD1 4.27Å; R47-L94 HydrophobicContact CB-CD2 4.39Å; R47-L94 HydrophobicContact CB-CG 4.48Å; R47-L94 HydrophobicContact CG-CD2 3.88Å; R47-L94 HydrophobicContact CG-CG 4.37Å |
| 48 | R | 92.1 | Very high | 87.8 | Confident | 233 Ų | 233 | 92.2 Ų | 92.2 | 88% | 0.879 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.4 | 165.9 | -169.1 | 173.4 | -179.9 | 174.1 | 0.1 | 108.7 | ||
| 49 | G | 90 | Very high | 89.4 | Confident | 16 Ų | 16 | 84.4 Ų | 84.4 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | trans | -72.7 | 148.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R47 G90 | R47-G49 PolarHBondContact O-N 2.76Å; G49-G90 PolarHBondContact N-O 2.78Å | ||
| 50 | S | 92 | Very high | 90.8 | Very high | 78 Ų | 78 | 82.4 Ų | 82.4 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | trans | -108.8 | 11.4 | 172.6 | 54 | 0 | 0 | 0 | 0 | 112.5 | H61 | S50-H61 PolarHBondContact O-ND1 3.18Å; S50-H61 PolarHBondContact OG-CE1 2.97Å; S50-H61 PolarHBondContact OG-ND1 2.87Å | ||
| 51 | M | 95 | Very high | 91.9 | Very high | 42 Ų | 42 | 85.3 Ų | 85.3 | 21% | 0.207 | 44% | 0.438 | C | S | . | . | trans | -99 | 160 | 176.8 | -64.2 | -176 | -65.7 | 0 | 0 | 110.6 | L59 A60 H61 Q89 | M51-L59 HydrophobicContact CB-CD1 3.55Å; M51-L59 HydrophobicContact CB-CG 3.98Å; M51-L59 HydrophobicContact CE-CD1 4.48Å; M51-L59 HydrophobicContact CE-CD2 3.68Å; M51-L59 HydrophobicContact CE-CG 4.08Å; M51-L59 HydrophobicContact SD-CD2 4.13Å; M51-L59 HydrophobicContact SD-CG 3.96Å; M51-A60 CarbonylContact C-O 3.48Å; M51-A60 VanDerWaalsContact CA-O 3.28Å; M51-A60 WeakPolarHBondContact CA-O 3.24Å; M51-H61 WeakPolarHBondContact CG-CE1 3.23Å; M51-H61 WeakPolarHBondContact CG-ND1 3.25Å; M51-Q89 HydrophobicContact CB-CB 4.36Å; M51-Q89 VanDerWaalsContact O-CB 3.24Å; M51-Q89 WeakPolarHBondContact O-CB 3.46Å; M51-Q89 PolarHBondContact O-N 2.71Å | ||
| 52 | F | 96.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 85.2 Ų | 85.2 | 32% | 0.316 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.1 | 178.5 | -60 | -98.1 | 0 | 0 | 0 | 109.8 | L59 A60 F63 L86 I87 P88 | F52-L59 WeakPolarHBondContact O-CA 3.23Å; F52-A60 PolarHBondContact N-O 2.9Å; F52-A60 PolarHBondContact O-N 2.65Å; F52-F63 HydrophobicContact CB-CE2 4.1Å; F52-F63 VanDerWaalsContact O-CE2 3.25Å; F52-F63 WeakPolarHBondContact O-CE2 3.24Å; F52-F63 WeakPolarHBondContact O-CZ 3.28Å; F52-L86 HydrophobicContact CB-CB 3.94Å; F52-L86 HydrophobicContact CB-CD1 4.34Å; F52-L86 HydrophobicContact CD1-CB 3.99Å; F52-L86 HydrophobicContact CG-CB 4.2Å; F52-L86 HydrophobicContact CG-CD1 4.48Å; F52-I87 CarbonylContact C-O 3.59Å; F52-I87 VanDerWaalsContact CA-O 3.23Å; F52-I87 WeakPolarHBondContact CA-O 3.36Å; F52-P88 HydrophobicContact CD1-CB 3.95Å; F52-P88 HydrophobicContact CE1-CB 3.84Å |
| 53 | Y | 96.2 | Very high | 93.1 | Very high | 88 Ų | 88 | 83.7 Ų | 83.7 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 137.2 | 165.1 | -63.6 | -81.2 | 0 | 0 | 0 | 109.4 | D58 L59 L86 I87 Q89 | Y53-D58 VanDerWaalsContact CA-O 3.23Å; Y53-D58 WeakPolarHBondContact CA-O 3.41Å; Y53-L59 HydrophobicContact CD1-CB 4.14Å; Y53-L59 HydrophobicContact CD1-CD1 4.01Å; Y53-L59 HydrophobicContact CD2-CD1 4.16Å; Y53-L59 HydrophobicContact CE1-CB 3.92Å; Y53-L59 HydrophobicContact CE1-CD1 3.78Å; Y53-L59 HydrophobicContact CE1-CD2 4.39Å; Y53-L59 HydrophobicContact CE1-CG 4.24Å; Y53-L59 HydrophobicContact CE2-CD1 3.92Å; Y53-L59 HydrophobicContact CG-CD1 4.2Å; Y53-L86 CarbonylContact O-C 3.41Å; Y53-L86 WeakPolarHBondContact O-CA 3.33Å; Y53-I87 PolarHBondContact N-O 3.14Å; Y53-I87 PolarHBondContact O-N 2.82Å; Y53-Q89 HydrophobicContact CE2-CB 4.29Å; Y53-Q89 HydrophobicContact CE2-CG 4.13Å |
| 54 | D | 94.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 84.9 Ų | 84.9 | 16% | 0.16 | 42% | 0.42 | C | S | . | . | trans | -90.4 | -170.9 | 167.6 | 68.7 | 2.9 | 0 | 0 | 0 | 112 | D56 G57 D58 F63 L86 | D54-D56 PolarHBondContact O-N 3.28Å; D54-D56 PolarHBondContact OD1-N 3.15Å; D54-D56 VanDerWaalsContact OD1-N 3.13Å; D54-G57 PolarHBondContact O-N 3.02Å; D54-G57 PolarHBondContact OD1-N 2.8Å; D54-D58 PolarHBondContact N-O 2.8Å; D54-D58 PolarHBondContact OD1-N 3.36Å; D54-F63 HydrophobicContact CB-CD1 3.73Å; D54-F63 HydrophobicContact CB-CE1 3.54Å; D54-F63 HydrophobicContact CB-CE2 4.33Å; D54-F63 HydrophobicContact CB-CG 4.22Å; D54-F63 HydrophobicContact CB-CZ 3.86Å; D54-F63 VanDerWaalsContact CG-CE1 3.41Å; D54-F63 WeakPolarHBondContact OD2-CD1 3.12Å; D54-F63 WeakPolarHBondContact OD2-CE1 3.33Å; D54-L86 HydrophobicContact CB-CD2 3.89Å | ||
| 55 | E | 91.3 | Very high | 93.4 | Very high | 151 Ų | 151 | 86.4 Ų | 86.4 | 71% | 0.706 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.3 | -178.3 | -63 | -178.1 | -179.9 | 0 | 0 | 112.5 | N85 | E55-N85 HydrophobicContact CG-CB 4.37Å; E55-N85 WeakPolarHBondContact OE1-CB 3.36Å; E55-N85 PolarHBondContact OE1-ND2 2.8Å |
| 56 | D | 92.3 | Very high | 93.4 | Very high | 146 Ų | 146 | 86.9 Ų | 86.9 | 78% | 0.781 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.1 | 179.7 | -63.5 | -45.5 | 0 | 0 | 0 | 112.2 | D54 | D54-D56 PolarHBondContact O-N 3.28Å; D54-D56 PolarHBondContact OD1-N 3.15Å; D54-D56 VanDerWaalsContact OD1-N 3.13Å |
| 57 | G | 93.1 | Very high | 93.1 | Very high | 44 Ų | 44 | 85 Ų | 85 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | trans | 90 | 11.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | D54 | D54-G57 PolarHBondContact O-N 3.02Å; D54-G57 PolarHBondContact OD1-N 2.8Å | ||
| 58 | D | 94.6 | Very high | 92.8 | Very high | 103 Ų | 103 | 85.5 Ų | 85.5 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | trans | -71.4 | 143.4 | 174.2 | -78.3 | -17.9 | 0 | 0 | 0 | 110.1 | Y53 D54 F63 | Y53-D58 VanDerWaalsContact CA-O 3.23Å; Y53-D58 WeakPolarHBondContact CA-O 3.41Å; D54-D58 PolarHBondContact N-O 2.8Å; D54-D58 PolarHBondContact OD1-N 3.36Å; D58-F63 HydrophobicContact CB-CE1 4.05Å; D58-F63 VanDerWaalsContact O-CZ 3.24Å; D58-F63 WeakPolarHBondContact O-CZ 3.43Å | ||
| 59 | L | 94.9 | Very high | 92.4 | Very high | 69 Ų | 69 | 76.7 Ų | 76.7 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.2 | -177.2 | -176.8 | 67.8 | 0 | 0 | 0 | 110.7 | M51 F52 Y53 Q89 | M51-L59 HydrophobicContact CB-CD1 3.55Å; M51-L59 HydrophobicContact CB-CG 3.98Å; M51-L59 HydrophobicContact CE-CD1 4.48Å; M51-L59 HydrophobicContact CE-CD2 3.68Å; M51-L59 HydrophobicContact CE-CG 4.08Å; M51-L59 HydrophobicContact SD-CD2 4.13Å; M51-L59 HydrophobicContact SD-CG 3.96Å; F52-L59 WeakPolarHBondContact O-CA 3.23Å; Y53-L59 HydrophobicContact CD1-CB 4.14Å; Y53-L59 HydrophobicContact CD1-CD1 4.01Å; Y53-L59 HydrophobicContact CD2-CD1 4.16Å; Y53-L59 HydrophobicContact CE1-CB 3.92Å; Y53-L59 HydrophobicContact CE1-CD1 3.78Å; Y53-L59 HydrophobicContact CE1-CD2 4.39Å; Y53-L59 HydrophobicContact CE1-CG 4.24Å; Y53-L59 HydrophobicContact CE2-CD1 3.92Å; Y53-L59 HydrophobicContact CG-CD1 4.2Å; L59-Q89 HydrophobicContact CD1-CB 4.15Å; L59-Q89 HydrophobicContact CD1-CG 4.17Å |
| 60 | A | 95.9 | Very high | 92 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 166.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | M51 F52 F63 | M51-A60 CarbonylContact C-O 3.48Å; M51-A60 VanDerWaalsContact CA-O 3.28Å; M51-A60 WeakPolarHBondContact CA-O 3.24Å; F52-A60 PolarHBondContact N-O 2.9Å; F52-A60 PolarHBondContact O-N 2.65Å; A60-F63 HydrophobicContact CB-CD2 4.49Å; A60-F63 HydrophobicContact CB-CE1 4.01Å; A60-F63 HydrophobicContact CB-CE2 3.87Å; A60-F63 HydrophobicContact CB-CZ 3.59Å |
| 61 | H | 95.1 | Very high | 91.4 | Very high | 111 Ų | 111 | 83.6 Ų | 83.6 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -73.8 | -32.1 | 170 | -73.1 | -55.5 | 0 | 0 | 0 | 112.3 | S50 M51 | S50-H61 PolarHBondContact O-ND1 3.18Å; S50-H61 PolarHBondContact OG-CE1 2.97Å; S50-H61 PolarHBondContact OG-ND1 2.87Å; M51-H61 WeakPolarHBondContact CG-CE1 3.23Å; M51-H61 WeakPolarHBondContact CG-ND1 3.25Å |
| 62 | E | 93.7 | Very high | 90.6 | Very high | 82 Ų | 82 | 89.7 Ų | 89.7 | 38% | 0.383 | 46% | 0.456 | S | S | . | . | trans | -148.6 | 137.8 | -173.1 | -47.4 | -168.5 | 156.2 | 0 | 0 | 109.8 | Y64 R81 | E62-Y64 HydrophobicContact CB-CE2 3.79Å; E62-Y64 PolarHBondContact OE2-OH 2.82Å; E62-R81 IonicContact OE1-CZ 3.05Å; E62-R81 IonicContact OE1-NH1 2.8Å; E62-R81 PolarHBondContact OE1-NH1 3.04Å; E62-R81 IonicContact OE1-NH2 2.8Å; E62-R81 PolarHBondContact OE1-NH2 3.28Å; E62-R81 IonicContact OE2-CZ 3.58Å; E62-R81 IonicContact OE2-NH1 3.36Å; E62-R81 PolarHBondContact OE2-NH1 3.36Å; E62-R81 IonicContact OE2-NH2 3.93Å | ||
| 63 | F | 95.3 | Very high | 90 | Very high | 24 Ų | 24 | 90 Ų | 90 | 11% | 0.105 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 143.2 | 175.3 | -67.8 | -90.4 | 0 | 0 | 0 | 109.8 | F52 D54 D58 A60 V82 L86 | F52-F63 HydrophobicContact CB-CE2 4.1Å; F52-F63 VanDerWaalsContact O-CE2 3.25Å; F52-F63 WeakPolarHBondContact O-CE2 3.24Å; F52-F63 WeakPolarHBondContact O-CZ 3.28Å; D54-F63 HydrophobicContact CB-CD1 3.73Å; D54-F63 HydrophobicContact CB-CE1 3.54Å; D54-F63 HydrophobicContact CB-CE2 4.33Å; D54-F63 HydrophobicContact CB-CG 4.22Å; D54-F63 HydrophobicContact CB-CZ 3.86Å; D54-F63 VanDerWaalsContact CG-CE1 3.41Å; D54-F63 WeakPolarHBondContact OD2-CD1 3.12Å; D54-F63 WeakPolarHBondContact OD2-CE1 3.33Å; D58-F63 HydrophobicContact CB-CE1 4.05Å; D58-F63 VanDerWaalsContact O-CZ 3.24Å; D58-F63 WeakPolarHBondContact O-CZ 3.43Å; A60-F63 HydrophobicContact CB-CD2 4.49Å; A60-F63 HydrophobicContact CB-CE1 4.01Å; A60-F63 HydrophobicContact CB-CE2 3.87Å; A60-F63 HydrophobicContact CB-CZ 3.59Å; F63-V82 HydrophobicContact CB-CB 4.3Å; F63-V82 PolarHBondContact O-N 2.81Å; F63-L86 HydrophobicContact CB-CD2 4.27Å; F63-L86 HydrophobicContact CD2-CD1 3.77Å; F63-L86 HydrophobicContact CD2-CD2 3.41Å; F63-L86 VanDerWaalsContact CD2-CD2 3.41Å; F63-L86 HydrophobicContact CD2-CG 4.24Å; F63-L86 HydrophobicContact CE2-CD2 3.9Å; F63-L86 HydrophobicContact CG-CD2 3.88Å |
| 64 | Y | 94.3 | Very high | 89.2 | Confident | 123 Ų | 123 | 91.6 Ų | 91.6 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.7 | 178.6 | -68.3 | -93.7 | 0 | 0 | 0 | 109.2 | E62 L79 R80 R81 | E62-Y64 HydrophobicContact CB-CE2 3.79Å; E62-Y64 PolarHBondContact OE2-OH 2.82Å; Y64-L79 HydrophobicContact CD1-CB 4.4Å; Y64-R80 CarbonylContact C-O 3.54Å; Y64-R80 VanDerWaalsContact CA-O 3.26Å; Y64-R80 WeakPolarHBondContact CA-O 3.47Å; Y64-R81 HydrophobicContact CD1-CB 4Å; Y64-R81 HydrophobicContact CE1-CB 3.65Å; Y64-R81 HydrophobicContact CE1-CG 4.08Å |
| 65 | E | 90.2 | Very high | 88.8 | Confident | 74 Ų | 74 | 98 Ų | 98 | 35% | 0.346 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.4 | 173.3 | 72.2 | -165.3 | 144.8 | 0 | 0 | 109.6 | T67 L79 R80 V82 | E65-T67 HydrophobicContact CG-CG2 3.92Å; E65-T67 PolarHBondContact O-N 3.05Å; E65-L79 CarbonylContact O-C 3.6Å; E65-L79 WeakPolarHBondContact O-CA 3.24Å; E65-R80 HydrophobicContact CG-CB 4.22Å; E65-R80 PolarHBondContact N-O 2.77Å; E65-R80 PolarHBondContact O-N 3.35Å; E65-R80 IonicContact OE1-CZ 3.04Å; E65-R80 IonicContact OE1-NE 2.76Å; E65-R80 PolarHBondContact OE1-NE 3.13Å; E65-R80 IonicContact OE1-NH2 2.61Å; E65-R80 PolarHBondContact OE1-NH2 3.29Å; E65-R80 IonicContact OE2-NH2 3.71Å; E65-V82 HydrophobicContact CB-CG2 3.73Å; E65-V82 HydrophobicContact CG-CG2 3.68Å |
| 66 | E | 91.1 | Very high | 88.4 | Confident | 133 Ų | 133 | 98.6 Ų | 98.6 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.3 | 171.6 | -168.7 | 179.9 | 170.9 | 0 | 0 | 109.8 | A77 L79 | E66-A77 HydrophobicContact CG-CB 4.18Å; E66-A77 WeakPolarHBondContact OE1-CB 3.12Å; E66-L79 HydrophobicContact CB-CD2 4.15Å |
| 67 | T | 86.9 | Confident | 88.2 | Confident | 30 Ų | 30 | 95 Ų | 95 | 18% | 0.184 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.1 | 174.5 | 60.3 | 0 | 0 | 0 | 0 | 109.1 | E65 V69 K78 R80 | E65-T67 HydrophobicContact CG-CG2 3.92Å; E65-T67 PolarHBondContact O-N 3.05Å; T67-V69 PolarHBondContact O-N 2.8Å; T67-K78 WeakPolarHBondContact CA-O 3.43Å; T67-K78 PolarHBondContact N-O 2.8Å; T67-K78 PolarHBondContact O-N 3.45Å; T67-K78 PolarHBondContact OG1-O 3Å; T67-R80 HydrophobicContact CG2-CB 3.86Å |
| 68 | I | 85.2 | Confident | 88.1 | Confident | 116 Ų | 116 | 99.3 Ų | 99.3 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 107.5 | 173.8 | -56.3 | 172.2 | 0 | 0 | 0 | 107.3 | K75 | I68-K75 HydrophobicContact CG2-CB 3.86Å; I68-K75 HydrophobicContact CG2-CD 4.3Å; I68-K75 HydrophobicContact CG2-CG 4.03Å |
| 69 | V | 82.1 | Confident | 88.1 | Confident | 49 Ų | 49 | 99.7 Ų | 99.7 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.9 | 176.2 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | T67 K71 R76 K78 | T67-V69 PolarHBondContact O-N 2.8Å; V69-K71 HydrophobicContact CG1-CG 4.06Å; V69-R76 PolarHBondContact N-O 2.72Å; V69-R76 PolarHBondContact O-N 3.26Å; V69-K78 HydrophobicContact CG2-CB 3.95Å; V69-K78 HydrophobicContact CG2-CD 4.4Å |
| 70 | T | 81.8 | Confident | 88 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.7 | 170.5 | 46.5 | 0 | 0 | 0 | 0 | 109.5 | Q74 K75 | T70-Q74 WeakPolarHBondContact CA-O 3.3Å; T70-K75 HydrophobicContact CG2-CG 3.75Å |
| 71 | K | 80.9 | Confident | 87.9 | Confident | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.5 | 167.5 | -68.3 | -169.6 | 176.1 | -171.4 | 0 | 108.5 | V69 G73 Q74 | V69-K71 HydrophobicContact CG1-CG 4.06Å; K71-G73 VanDerWaalsContact C-N 3.3Å; K71-G73 PolarHBondContact O-N 2.87Å; K71-Q74 PolarHBondContact N-O 2.74Å; K71-Q74 PolarHBondContact O-N 2.78Å |
| 72 | N | 78.2 | Confident | 87.8 | Confident | 170 Ų | 170 | 102.8 Ų | 102.8 | 91% | 0.909 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 41.3 | 177.8 | -52.9 | -10.8 | 0 | 0 | 0 | 113.5 | Q74 | N72-Q74 PolarHBondContact O-N 3.01Å; N72-Q74 VanDerWaalsContact O-N 3.1Å |
| 73 | G | 82.2 | Confident | 87.7 | Confident | 78 Ų | 78 | 105.3 Ų | 105.3 | 80% | 0.804 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -9.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K71 | K71-G73 VanDerWaalsContact C-N 3.3Å; K71-G73 PolarHBondContact O-N 2.87Å |
| 74 | Q | 79.6 | Confident | 87.5 | Confident | 121 Ų | 121 | 112.2 Ų | 112.2 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.3 | 173.5 | -66.7 | -170.1 | -16.3 | 0 | 0 | 110.6 | T70 K71 N72 | T70-Q74 WeakPolarHBondContact CA-O 3.3Å; K71-Q74 PolarHBondContact N-O 2.74Å; K71-Q74 PolarHBondContact O-N 2.78Å; N72-Q74 PolarHBondContact O-N 3.01Å; N72-Q74 VanDerWaalsContact O-N 3.1Å |
| 75 | K | 85.6 | Confident | 87.3 | Confident | 166 Ų | 166 | 112 Ų | 112 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 122 | 171.4 | -70.6 | -179.9 | -179.6 | -176.4 | 0 | 108.6 | I68 T70 | I68-K75 HydrophobicContact CG2-CB 3.86Å; I68-K75 HydrophobicContact CG2-CD 4.3Å; I68-K75 HydrophobicContact CG2-CG 4.03Å; T70-K75 HydrophobicContact CG2-CG 3.75Å |
| 76 | R | 84.3 | Confident | 87.4 | Confident | 163 Ų | 163 | 110 Ų | 110 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.5 | 172 | -68.8 | -174 | 175 | -175.3 | -1.3 | 109.6 | V69 | V69-R76 PolarHBondContact N-O 2.72Å; V69-R76 PolarHBondContact O-N 3.26Å |
| 77 | A | 88.1 | Confident | 87.6 | Confident | 69 Ų | 69 | 108.9 Ų | 108.9 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 132.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E66 | E66-A77 HydrophobicContact CG-CB 4.18Å; E66-A77 WeakPolarHBondContact OE1-CB 3.12Å |
| 78 | K | 91.1 | Very high | 88 | Confident | 135 Ų | 135 | 111.3 Ų | 111.3 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -140.5 | 130.8 | 173.1 | -173.4 | -179.9 | 178.7 | -176.3 | 0 | 109.7 | T67 V69 | T67-K78 WeakPolarHBondContact CA-O 3.43Å; T67-K78 PolarHBondContact N-O 2.8Å; T67-K78 PolarHBondContact O-N 3.45Å; T67-K78 PolarHBondContact OG1-O 3Å; V69-K78 HydrophobicContact CG2-CB 3.95Å; V69-K78 HydrophobicContact CG2-CD 4.4Å |
| 79 | L | 93.4 | Very high | 88.4 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.5 | 171.2 | -62.4 | 178 | 0 | 0 | 0 | 110.6 | Y64 E65 E66 | Y64-L79 HydrophobicContact CD1-CB 4.4Å; E65-L79 CarbonylContact O-C 3.6Å; E65-L79 WeakPolarHBondContact O-CA 3.24Å; E66-L79 HydrophobicContact CB-CD2 4.15Å |
| 80 | R | 92.8 | Very high | 88.9 | Confident | 143 Ų | 143 | 106.9 Ų | 106.9 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.8 | 173.5 | -175.3 | 176.2 | 76.5 | -172.7 | 4.7 | 108.7 | Y64 E65 T67 V82 | Y64-R80 CarbonylContact C-O 3.54Å; Y64-R80 VanDerWaalsContact CA-O 3.26Å; Y64-R80 WeakPolarHBondContact CA-O 3.47Å; E65-R80 HydrophobicContact CG-CB 4.22Å; E65-R80 PolarHBondContact N-O 2.77Å; E65-R80 PolarHBondContact O-N 3.35Å; E65-R80 IonicContact OE1-CZ 3.04Å; E65-R80 IonicContact OE1-NE 2.76Å; E65-R80 PolarHBondContact OE1-NE 3.13Å; E65-R80 IonicContact OE1-NH2 2.61Å; E65-R80 PolarHBondContact OE1-NH2 3.29Å; E65-R80 IonicContact OE2-NH2 3.71Å; T67-R80 HydrophobicContact CG2-CB 3.86Å; R80-V82 PolarHBondContact O-N 3Å |
| 81 | R | 94 | Very high | 89.5 | Confident | 102 Ų | 102 | 108.7 Ų | 108.7 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.5 | 174.7 | -170.9 | 172.7 | 176.4 | 160.3 | -1.3 | 110.5 | E62 Y64 H83 | E62-R81 IonicContact OE1-CZ 3.05Å; E62-R81 IonicContact OE1-NH1 2.8Å; E62-R81 PolarHBondContact OE1-NH1 3.04Å; E62-R81 IonicContact OE1-NH2 2.8Å; E62-R81 PolarHBondContact OE1-NH2 3.28Å; E62-R81 IonicContact OE2-CZ 3.58Å; E62-R81 IonicContact OE2-NH1 3.36Å; E62-R81 PolarHBondContact OE2-NH1 3.36Å; E62-R81 IonicContact OE2-NH2 3.93Å; Y64-R81 HydrophobicContact CD1-CB 4Å; Y64-R81 HydrophobicContact CE1-CB 3.65Å; Y64-R81 HydrophobicContact CE1-CG 4.08Å; R81-H83 WeakPolarHBondContact CD-NE2 3.39Å; R81-H83 PolarHBondContact NE-CE1 2.94Å |
| 82 | V | 92.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 103 Ų | 103 | 18% | 0.182 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.9 | 177.6 | -176 | 0 | 0 | 0 | 0 | 109.3 | F63 E65 R80 K84 | F63-V82 HydrophobicContact CB-CB 4.3Å; F63-V82 PolarHBondContact O-N 2.81Å; E65-V82 HydrophobicContact CB-CG2 3.73Å; E65-V82 HydrophobicContact CG-CG2 3.68Å; R80-V82 PolarHBondContact O-N 3Å; V82-K84 WeakPolarHBondContact CG1-O 3.5Å |
| 83 | H | 91.6 | Very high | 90.8 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.625 | 52% | 0.52 | S | S | * | . | trans | -128.2 | -6.1 | 175.4 | -65.7 | -70 | 0 | 0 | 0 | 113 | R81 | R81-H83 WeakPolarHBondContact CD-NE2 3.39Å; R81-H83 PolarHBondContact NE-CE1 2.94Å | ||
| 84 | K | 92 | Very high | 91.2 | Very high | 168 Ų | 168 | 100.5 Ų | 100.5 | 73% | 0.73 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -97.1 | 155.1 | -178.7 | -62.3 | -177.5 | -180 | -178 | 0 | 109.1 | V82 L86 | V82-K84 WeakPolarHBondContact CG1-O 3.5Å; K84-L86 PolarHBondContact O-N 2.67Å |
| 85 | N | 89.4 | Confident | 91.6 | Very high | 118 Ų | 118 | 102.1 Ų | 102.1 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 58.9 | 16.7 | 176.7 | -52.3 | -10.3 | 0 | 0 | 0 | 115.2 | E55 | E55-N85 HydrophobicContact CG-CB 4.37Å; E55-N85 WeakPolarHBondContact OE1-CB 3.36Å; E55-N85 PolarHBondContact OE1-ND2 2.8Å |
| 86 | L | 93.5 | Very high | 91.7 | Very high | 33 Ų | 33 | 99.1 Ų | 99.1 | 17% | 0.173 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 129 | 176.1 | -64.9 | -176.5 | 0 | 0 | 0 | 110.4 | F52 Y53 D54 F63 K84 | F52-L86 HydrophobicContact CB-CB 3.94Å; F52-L86 HydrophobicContact CB-CD1 4.34Å; F52-L86 HydrophobicContact CD1-CB 3.99Å; F52-L86 HydrophobicContact CG-CB 4.2Å; F52-L86 HydrophobicContact CG-CD1 4.48Å; Y53-L86 CarbonylContact O-C 3.41Å; Y53-L86 WeakPolarHBondContact O-CA 3.33Å; D54-L86 HydrophobicContact CB-CD2 3.89Å; F63-L86 HydrophobicContact CB-CD2 4.27Å; F63-L86 HydrophobicContact CD2-CD1 3.77Å; F63-L86 HydrophobicContact CD2-CD2 3.41Å; F63-L86 VanDerWaalsContact CD2-CD2 3.41Å; F63-L86 HydrophobicContact CD2-CG 4.24Å; F63-L86 HydrophobicContact CE2-CD2 3.9Å; F63-L86 HydrophobicContact CG-CD2 3.88Å; K84-L86 PolarHBondContact O-N 2.67Å |
| 87 | I | 94.6 | Very high | 92 | Very high | 109 Ų | 109 | 93.8 Ų | 93.8 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.4 | 178.1 | -60.1 | 169.8 | 0 | 0 | 0 | 108.2 | F52 Y53 Q89 | F52-I87 CarbonylContact C-O 3.59Å; F52-I87 VanDerWaalsContact CA-O 3.23Å; F52-I87 WeakPolarHBondContact CA-O 3.36Å; Y53-I87 PolarHBondContact N-O 3.14Å; Y53-I87 PolarHBondContact O-N 2.82Å; I87-Q89 PolarHBondContact O-N 3.36Å |
| 88 | P | 95.3 | Very high | 91.9 | Very high | 82 Ų | 82 | 97.7 Ų | 97.7 | 53% | 0.532 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 138.4 | 179.3 | 26.9 | -33.5 | 0 | 0 | 0 | 110.8 | F52 G90 | F52-P88 HydrophobicContact CD1-CB 3.95Å; F52-P88 HydrophobicContact CE1-CB 3.84Å; P88-G90 PolarHBondContact O-N 2.7Å; P88-G90 VanDerWaalsContact O-N 3.15Å |
| 89 | Q | 94.3 | Very high | 91.8 | Very high | 43 Ų | 43 | 93.8 Ų | 93.8 | 20% | 0.201 | 47% | 0.467 | C | S | . | . | trans | -57.9 | -29.6 | 174.3 | -169.8 | -172.8 | 27.9 | 0 | 0 | 112.2 | M51 Y53 L59 I87 V92 | M51-Q89 HydrophobicContact CB-CB 4.36Å; M51-Q89 VanDerWaalsContact O-CB 3.24Å; M51-Q89 WeakPolarHBondContact O-CB 3.46Å; M51-Q89 PolarHBondContact O-N 2.71Å; Y53-Q89 HydrophobicContact CE2-CB 4.29Å; Y53-Q89 HydrophobicContact CE2-CG 4.13Å; L59-Q89 HydrophobicContact CD1-CB 4.15Å; L59-Q89 HydrophobicContact CD1-CG 4.17Å; I87-Q89 PolarHBondContact O-N 3.36Å; Q89-V92 HydrophobicContact CG-CG2 3.89Å | ||
| 90 | G | 92.8 | Very high | 91.5 | Very high | 29 Ų | 29 | 90.5 Ų | 90.5 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | trans | 77.8 | -135.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G49 P88 | G49-G90 PolarHBondContact N-O 2.78Å; P88-G90 PolarHBondContact O-N 2.7Å; P88-G90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | I | 93.8 | Very high | 91.1 | Very high | 132 Ų | 132 | 90 Ų | 90 | 68% | 0.677 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 118.3 | -177.1 | -60.2 | 174.6 | 0 | 0 | 0 | 109.1 | T46 | T46-I91 VanDerWaalsContact CB-CG2 3.47Å; T46-I91 HydrophobicContact CG2-CG2 3.84Å |
| 92 | V | 92.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 89.6 Ų | 89.6 | 15% | 0.145 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.2 | -179 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | T46 R47 Q89 | T46-V92 CarbonylContact C-O 3.48Å; T46-V92 VanDerWaalsContact CA-O 3.24Å; T46-V92 WeakPolarHBondContact CA-O 3Å; R47-V92 HydrophobicContact CG-CB 4.02Å; R47-V92 PolarHBondContact N-O 3.46Å; R47-V92 PolarHBondContact O-N 2.85Å; Q89-V92 HydrophobicContact CG-CG2 3.89Å |
| 93 | K | 93.2 | Very high | 90.2 | Very high | 181 Ų | 181 | 90.2 Ų | 90.2 | 79% | 0.787 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.7 | 172.5 | -67.6 | -177 | 179.1 | 179 | 0 | 110.2 | F45 T46 | F45-K93 CarbonylContact O-C 3.59Å; F45-K93 WeakPolarHBondContact O-CA 3.42Å; T46-K93 HydrophobicContact CG2-CG 4.35Å |
| 94 | L | 90 | Very high | 89.7 | Confident | 15 Ų | 15 | 89.8 Ų | 89.8 | 8% | 0.079 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111.3 | 175.6 | -62 | 175.8 | 0 | 0 | 0 | 107.6 | V44 F45 R47 P96 R98 | V44-L94 HydrophobicContact CG1-CD1 4.02Å; V44-L94 WeakPolarHBondContact O-CD1 3.08Å; F45-L94 PolarHBondContact O-N 3.04Å; R47-L94 HydrophobicContact CB-CD1 4.27Å; R47-L94 HydrophobicContact CB-CD2 4.39Å; R47-L94 HydrophobicContact CB-CG 4.48Å; R47-L94 HydrophobicContact CG-CD2 3.88Å; R47-L94 HydrophobicContact CG-CG 4.37Å; L94-P96 CarbonylContact C-O 3.53Å; L94-P96 CarbonylContact O-C 3.52Å; L94-R98 HydrophobicContact CD1-CB 4.26Å; L94-R98 HydrophobicContact CD1-CG 4.04Å |
| 95 | D | 88.9 | Confident | 89.1 | Confident | 156 Ų | 156 | 85.3 Ų | 85.3 | 83% | 0.834 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 111.3 | 171.5 | -167.5 | 12.2 | 0 | 0 | 0 | 108 | ||
| 96 | P | 87.1 | Confident | 88.4 | Confident | 102 Ų | 102 | 86.9 Ų | 86.9 | 66% | 0.662 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -71.6 | 161 | 0 | 30.2 | -35.3 | 0 | 0 | 0 | 113.6 | L94 | L94-P96 CarbonylContact C-O 3.53Å; L94-P96 CarbonylContact O-C 3.52Å |
| 97 | P | 90.3 | Very high | 87.5 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 34% | 0.338 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 154.3 | 177.1 | 27.9 | -34.9 | 0 | 0 | 0 | 112.2 | F43 F45 | F43-P97 HydrophobicContact CB-CB 4.35Å; F45-P97 HydrophobicContact CD1-CB 3.71Å; F45-P97 HydrophobicContact CD1-CG 4.28Å; F45-P97 HydrophobicContact CE1-CB 3.71Å; F45-P97 HydrophobicContact CE1-CG 3.87Å; F45-P97 HydrophobicContact CG-CB 4.3Å; F45-P97 HydrophobicContact CZ-CB 4.29Å |
| 98 | R | 87.8 | Confident | 86.5 | Confident | 150 Ų | 150 | 95.4 Ų | 95.4 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 152.6 | -179.5 | -65.4 | -175.3 | 179.4 | -164.6 | -3.8 | 112 | F43 V44 L94 | F43-R98 CarbonylContact C-O 3.58Å; F43-R98 WeakPolarHBondContact CA-O 3.26Å; V44-R98 PolarHBondContact N-O 3.13Å; V44-R98 PolarHBondContact O-N 3.41Å; L94-R98 HydrophobicContact CD1-CB 4.26Å; L94-R98 HydrophobicContact CD1-CG 4.04Å |
| 99 | I | 88.9 | Confident | 85.9 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 28% | 0.277 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137.5 | 173.3 | -66 | 167.2 | 0 | 0 | 0 | 109.9 | P42 F103 L107 | P42-I99 CarbonylContact O-C 3.54Å; P42-I99 WeakPolarHBondContact O-CA 3.49Å; I99-F103 HydrophobicContact CG2-CB 3.72Å; I99-F103 WeakPolarHBondContact CG2-O 3.4Å; I99-L107 HydrophobicContact CD1-CD1 3.54Å; I99-L107 HydrophobicContact CD1-CD2 4.09Å; I99-L107 HydrophobicContact CD1-CG 3.55Å; I99-L107 HydrophobicContact CG1-CD1 4.27Å |
| 100 | H | 87.1 | Confident | 84.4 | Confident | 43 Ų | 43 | 107.4 Ų | 107.4 | 20% | 0.199 | 56% | 0.564 | C | S | . | * | trans | -68.2 | 141.7 | 174.7 | -173.8 | -86.2 | 0 | 0 | 0 | 111 | P42 V44 D102 F103 | P42-H100 PolarHBondContact O-N 3.04Å; V44-H100 HydrophobicContact CG2-CB 3.9Å; H100-D102 IonicContact CE1-OD2 3.13Å; H100-D102 PolarHBondContact CE1-OD2 3.42Å; H100-D102 PolarHBondContact ND1-N 3.04Å; H100-D102 IonicContact ND1-OD2 3.51Å; H100-D102 PolarHBondContact O-N 3.49Å; H100-F103 HydrophobicContact CB-CD2 3.78Å; H100-F103 HydrophobicContact CB-CE2 4.14Å; H100-F103 PolarHBondContact O-N 2.76Å | ||
| 101 | V | 83.6 | Confident | 84 | Confident | 131 Ų | 131 | 111.4 Ų | 111.4 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -26.3 | -172.2 | -66.5 | 0 | 0 | 0 | 0 | 114.8 | F103 | V101-F103 PolarHBondContact O-N 3.32Š|
| 102 | D | 85.7 | Confident | 83.5 | Confident | 94 Ų | 94 | 110.3 Ų | 110.3 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -5.4 | 178.3 | -62.5 | -20.1 | 0 | 0 | 0 | 113.8 | H100 P104 | H100-D102 IonicContact CE1-OD2 3.13Å; H100-D102 PolarHBondContact CE1-OD2 3.42Å; H100-D102 PolarHBondContact ND1-N 3.04Å; H100-D102 IonicContact ND1-OD2 3.51Å; H100-D102 PolarHBondContact O-N 3.49Å; D102-P104 WeakPolarHBondContact O-CD 3.19Å |
| 103 | F | 82.3 | Confident | 83 | Confident | 44 Ų | 44 | 115.1 Ų | 115.1 | 19% | 0.193 | 60% | 0.596 | C | S | . | * | trans | -110 | 90.3 | -179.7 | -65.5 | -97.2 | 0 | 0 | 0 | 109.2 | L32 V40 P42 I99 H100 V101 V105 | L32-F103 HydrophobicContact CD2-CD1 4.09Å; L32-F103 HydrophobicContact CD2-CE1 4.15Å; V40-F103 WeakPolarHBondContact O-CZ 3.48Å; P42-F103 HydrophobicContact CB-CD1 4Å; P42-F103 HydrophobicContact CB-CD2 4.26Å; P42-F103 HydrophobicContact CB-CE1 3.92Å; P42-F103 HydrophobicContact CB-CE2 4.16Å; P42-F103 HydrophobicContact CB-CG 4.17Å; P42-F103 HydrophobicContact CB-CZ 3.99Å; I99-F103 HydrophobicContact CG2-CB 3.72Å; I99-F103 WeakPolarHBondContact CG2-O 3.4Å; H100-F103 HydrophobicContact CB-CD2 3.78Å; H100-F103 HydrophobicContact CB-CE2 4.14Å; H100-F103 PolarHBondContact O-N 2.76Å; V101-F103 PolarHBondContact O-N 3.32Å; F103-V105 HydrophobicContact CB-CG2 4.26Å; F103-V105 PolarHBondContact O-N 2.94Å | ||
| 104 | P | 80.7 | Confident | 82.4 | Confident | 126 Ų | 126 | 111.2 Ų | 111.2 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | trans | -74.5 | 68.6 | 178.1 | 32.8 | -36.7 | 0 | 0 | 0 | 110.8 | D102 | D102-P104 WeakPolarHBondContact O-CD 3.19Š| ||
| 105 | V | 80.1 | Confident | 81.9 | Confident | 74 Ų | 74 | 117.2 Ų | 117.2 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | trans | -112.4 | 136.9 | -176.9 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | F103 | F103-V105 HydrophobicContact CB-CG2 4.26Å; F103-V105 PolarHBondContact O-N 2.94Å | ||
| 106 | I | 73.5 | Confident | 81.4 | Confident | 151 Ų | 151 | 114.6 Ų | 114.6 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | trans | -98.8 | 119.2 | 172.7 | -57.8 | 174.1 | 0 | 0 | 0 | 107.9 | ||||
| 107 | L | 75.1 | Confident | 81 | Confident | 129 Ų | 129 | 115.5 Ų | 115.5 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | trans | -87.2 | 129.8 | 169.7 | -59.1 | 177.3 | 0 | 0 | 0 | 108.6 | I99 | I99-L107 HydrophobicContact CD1-CD1 3.54Å; I99-L107 HydrophobicContact CD1-CD2 4.09Å; I99-L107 HydrophobicContact CD1-CG 3.55Å; I99-L107 HydrophobicContact CG1-CD1 4.27Å | ||
| 108 | Y | 74.3 | Confident | 80.3 | Confident | 192 Ų | 192 | 120.4 Ų | 120.4 | 75% | 0.753 | 62% | 0.617 | S | S | * | * | trans | -132.3 | 146.6 | 170 | 70.6 | -83.8 | 0 | 0 | 0 | 109.1 | V110 | Y108-V110 HydrophobicContact CD2-CG2 4.27Å; Y108-V110 HydrophobicContact CE2-CG2 3.74Å | ||
| 109 | E | 81.3 | Confident | 79.7 | Confident | 189 Ų | 189 | 117.9 Ų | 117.9 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | trans | -92.5 | 146.2 | 172.5 | -170.3 | 173.2 | -170.8 | 0 | 0 | 108.8 | ||||
| 110 | V | 63.3 | Low | 78.8 | Confident | 188 Ų | 188 | 123.7 Ų | 123.7 | 100% | 1.139 | 65% | 0.653 | S | S | * | * | trans | -99.7 | 0 | 179 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | Y108 | Y108-V110 HydrophobicContact CD2-CG2 4.27Å; Y108-V110 HydrophobicContact CE2-CG2 3.74Å |
Retrieved 110 of 110 residues in 24.8 ms
(Link to these results)