| 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 | 55.1 | Low | 54 | Low | 239 Ų | 239 | 128.8 Ų | 128.8 | 100% | 1.177 | 72% | 0.719 | S | S | * | * | 0 | 35.5 | 0 | -68.4 | -70.9 | -91.3 | 0 | 0 | 114 | |||||
| 2 | R | 53.7 | Low | 53.7 | Low | 233 Ų | 233 | 128.8 Ų | 128.8 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -150.3 | 45.6 | 177.6 | -77.6 | -160.1 | 174.1 | -169.5 | -1 | 114.8 | ||||
| 3 | L | 52.7 | Low | 53.6 | Low | 156 Ų | 156 | 124.2 Ų | 124.2 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -128.2 | -18.9 | 177.1 | -80.3 | 166.7 | 0 | 0 | 0 | 115.3 | L5 | L3-L5 PolarHBondContact O-N 3.05Š|
| 4 | G | 52.8 | Low | 53.2 | Low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -76.6 | -16.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 5 | L | 55 | Low | 52.8 | Low | 150 Ų | 150 | 131.4 Ų | 131.4 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -84 | -22 | -172.5 | -75.1 | 167.1 | 0 | 0 | 0 | 114.3 | L3 | L3-L5 PolarHBondContact O-N 3.05Å |
| 6 | C | 54.3 | Low | 52.7 | Low | 89 Ų | 89 | 133.6 Ų | 133.6 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -76.3 | -25 | -173.8 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 7 | V | 54.7 | Low | 52.7 | Low | 104 Ų | 104 | 134.8 Ų | 134.8 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -75.1 | -36.7 | -177.3 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | A9 | V7-A9 VanDerWaalsContact C-N 3.31Å; V7-A9 PolarHBondContact O-N 3.34Å |
| 8 | V | 54.6 | Low | 52.4 | Low | 93 Ų | 93 | 134.6 Ų | 134.6 | 56% | 0.564 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -66.6 | -33.4 | -179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | L10 | V8-L10 PolarHBondContact O-N 2.65Å |
| 9 | A | 54.2 | Low | 51.9 | Low | 63 Ų | 63 | 136.7 Ų | 136.7 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -64.5 | -36.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | V7 L12 | V7-A9 VanDerWaalsContact C-N 3.31Å; V7-A9 PolarHBondContact O-N 3.34Å; A9-L12 PolarHBondContact O-N 3.14Å |
| 10 | L | 53.5 | Low | 51.3 | Low | 123 Ų | 123 | 132.9 Ų | 132.9 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -76.3 | -25.2 | -175.9 | -70 | 171.9 | 0 | 0 | 0 | 113.6 | V8 L12 S13 | V8-L10 PolarHBondContact O-N 2.65Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-S13 PolarHBondContact O-OG 2.8Å |
| 11 | V | 52.9 | Low | 51.3 | Low | 102 Ų | 102 | 132.9 Ų | 132.9 | 62% | 0.618 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -72.3 | -30.6 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | S13 | V11-S13 VanDerWaalsContact C-N 3.35Å |
| 12 | L | 51.4 | Low | 50.6 | Low | 129 Ų | 129 | 132.6 Ų | 132.6 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -10.2 | -178.6 | -64.6 | 175.3 | 0 | 0 | 0 | 114 | A9 L10 | A9-L12 PolarHBondContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.34Å |
| 13 | S | 52 | Low | 50.4 | Low | 69 Ų | 69 | 125.4 Ų | 125.4 | 48% | 0.483 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -9.3 | -179.9 | 43.2 | 0 | 0 | 0 | 0 | 115.6 | L10 V11 | L10-S13 PolarHBondContact O-OG 2.8Å; V11-S13 VanDerWaalsContact C-N 3.35Å |
| 14 | W | 48.5 | Very low | 50.4 | Low | 233 Ų | 233 | 125 Ų | 125 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -103.2 | -0.8 | -173.6 | -76.4 | -7.2 | 0 | 0 | 0 | 115.5 | ||
| 15 | T | 46.4 | Very low | 50.1 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -90.3 | -1.6 | 179 | 51 | 0 | 0 | 0 | 0 | 114.6 | ||
| 16 | H | 52.2 | Low | 49.4 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -102.5 | -1.9 | -164.3 | -142.6 | -60.5 | 0 | 0 | 0 | 116.5 | ||
| 17 | L | 51.8 | Low | 49.3 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -132.8 | 101 | 175 | -103.1 | 90.3 | 0 | 0 | 0 | 112.5 | ||
| 18 | T | 46.9 | Very low | 48.8 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 164.7 | 157.4 | 130 | 36.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 19 | I | 43.5 | Very low | 48.8 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | 68.2 | 129.8 | 178.3 | -46.9 | 169.7 | 0 | 0 | 0 | 113.4 | ||||
| 20 | G | 40.1 | Very low | 48.7 | Very low | 61 Ų | 61 | 150.3 Ų | 150.3 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 159 | 116.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R22 | G20-R22 PolarHBondContact O-N 3.38Å; G20-R22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | S | 51.3 | Low | 48.3 | Very low | 132 Ų | 132 | 156.1 Ų | 156.1 | 92% | 0.923 | 79% | 0.793 | S | S | * | * | trans | -67.3 | 104.8 | -168.7 | -55.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 22 | R | 40.5 | Very low | 48.5 | Very low | 234 Ų | 234 | 158.4 Ų | 158.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -141 | 111.8 | 161.4 | -70.8 | -169.3 | 177.1 | -179.5 | -0.3 | 111.2 | G20 | G20-R22 PolarHBondContact O-N 3.38Å; G20-R22 VanDerWaalsContact O-N 3.09Å | ||
| 23 | G | 49.7 | Very low | 48.2 | Very low | 81 Ų | 81 | 155.9 Ų | 155.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -92.4 | 122.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 24 | I | 51.4 | Low | 48.2 | Very low | 148 Ų | 148 | 157.2 Ų | 157.2 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -126.8 | 114 | 160.8 | -72.1 | 90.8 | 0 | 0 | 0 | 109.5 | G26 | I24-G26 PolarHBondContact O-N 3.13Å; I24-G26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | K | 47.4 | Very low | 48.2 | Very low | 198 Ų | 198 | 154 Ų | 154 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | 15.3 | 80.9 | 155.5 | -63.1 | 176.3 | -179 | 174.2 | 0 | 116.6 | K27 | K25-K27 PolarHBondContact O-N 3.01Š| ||
| 26 | G | 40.9 | Very low | 48.2 | Very low | 76 Ų | 76 | 151.3 Ų | 151.3 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -61.6 | 103.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I24 R28 | I24-G26 PolarHBondContact O-N 3.13Å; I24-G26 VanDerWaalsContact O-N 3.14Å; G26-R28 PolarHBondContact O-N 2.95Å | ||
| 27 | K | 51.8 | Low | 48.4 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -63.4 | 98.9 | 168.6 | -80.4 | -174.8 | 177.3 | 179 | 0 | 107.9 | K25 Q29 | K25-K27 PolarHBondContact O-N 3.01Å; K27-Q29 PolarHBondContact O-N 2.8Å | ||
| 28 | R | 44.6 | Very low | 49 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -70.1 | 76.5 | 171.3 | -166.8 | 179.1 | -169.6 | -177.4 | 4.2 | 108.7 | G26 R30 | G26-R28 PolarHBondContact O-N 2.95Å; R28-R30 PolarHBondContact O-N 3.43Å | ||
| 29 | Q | 54.6 | Low | 50.5 | Low | 164 Ų | 164 | 146.8 Ų | 146.8 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -52 | 104.6 | 172 | -168.2 | 83.6 | -14 | 0 | 0 | 106.9 | K27 R31 | K27-Q29 PolarHBondContact O-N 2.8Å; Q29-R31 PolarHBondContact O-N 3.5Å | ||
| 30 | R | 52 | Low | 52.4 | Low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 126.6 | 167.7 | -76.9 | -177.5 | 173.2 | 177.4 | -2.8 | 105.5 | R28 I32 | R28-R30 PolarHBondContact O-N 3.43Å; R30-I32 VanDerWaalsContact C-N 3.27Å; R30-I32 PolarHBondContact O-N 2.04Å | ||
| 31 | R | 45.4 | Very low | 54.5 | Low | 246 Ų | 246 | 141.5 Ų | 141.5 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | trans | -61.8 | 101.7 | 161.7 | -71.2 | -172.1 | -176.5 | -176.4 | 1.4 | 105.6 | Q29 S33 | Q29-R31 PolarHBondContact O-N 3.5Å; R31-S33 PolarHBondContact O-N 2.79Å; R31-S33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | I | 55.5 | Low | 56.2 | Low | 150 Ų | 150 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -68.6 | 104.8 | 164.4 | -61.3 | 174.5 | 0 | 0 | 0 | 103.7 | R30 A34 | R30-I32 VanDerWaalsContact C-N 3.27Å; R30-I32 PolarHBondContact O-N 2.04Å; I32-A34 PolarHBondContact O-N 2.62Å; I32-A34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | S | 46.5 | Very low | 58.5 | Low | 75 Ų | 75 | 135.3 Ų | 135.3 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | trans | -60.9 | 114.1 | 169 | -172.6 | 0 | 0 | 0 | 0 | 106.7 | R31 E35 | R31-S33 PolarHBondContact O-N 2.79Å; R31-S33 VanDerWaalsContact O-N 3.11Å; S33-E35 PolarHBondContact O-N 3.32Å; S33-E35 PolarHBondContact OG-O 2.83Å; S33-E35 VanDerWaalsContact OG-O 3.13Å | ||
| 34 | A | 51 | Low | 60.6 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -80.9 | 8.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I32 | I32-A34 PolarHBondContact O-N 2.62Å; I32-A34 VanDerWaalsContact O-N 3.11Å |
| 35 | E | 48.6 | Very low | 62.5 | Low | 165 Ų | 165 | 129.3 Ų | 129.3 | 77% | 0.771 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -116 | 128.6 | 176.2 | -69.9 | 156.1 | 110.5 | 0 | 0 | 108 | S33 | S33-E35 PolarHBondContact O-N 3.32Å; S33-E35 PolarHBondContact OG-O 2.83Å; S33-E35 VanDerWaalsContact OG-O 3.13Å |
| 36 | G | 47.5 | Very low | 64.6 | Low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | 84.3 | 32 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q38 | G36-Q38 PolarHBondContact O-N 2.89Š| ||
| 37 | S | 54.9 | Low | 67.1 | Low | 106 Ų | 106 | 123.6 Ų | 123.6 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | trans | -71.8 | 58.9 | 162.5 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | A39 | S37-A39 PolarHBondContact O-N 3.18Š| ||
| 38 | Q | 64.2 | Low | 69 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | trans | -69 | 97.8 | 175.7 | -173.4 | 158.2 | -24.9 | 0 | 0 | 108.2 | G36 C40 | G36-Q38 PolarHBondContact O-N 2.89Å; Q38-C40 PolarHBondContact O-N 3.49Å | ||
| 39 | A | 78.6 | Confident | 71 | Confident | 94 Ų | 94 | 113.3 Ų | 113.3 | 78% | 0.777 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 127.2 | -166 | 0 | 0 | 0 | 0 | 0 | 111.6 | S37 | S37-A39 PolarHBondContact O-N 3.18Š|
| 40 | C | 82.9 | Confident | 72.6 | Confident | 49 Ų | 49 | 109.3 Ų | 109.3 | 33% | 0.331 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 144.5 | 179.8 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | Q38 C44 C47 | Q38-C40 PolarHBondContact O-N 3.49Å; C40-C44 HydrophobicContact CB-CB 3.99Å; C40-C47 WeakPolarHBondContact CA-SG 3.47Å; C40-C47 HydrophobicContact CB-CB 3.74Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3.02Å; C40-C47 PolarHBondContact SG-N 2.95Å; C40-C47 VanDerWaalsContact SG-N 3.41Å; C40-C47 CovalentContact SG-SG 2.04Å; C40-C47 PolarHBondContact SG-SG 3.39Å |
| 41 | A | 84.9 | Confident | 74.5 | Confident | 76 Ų | 76 | 102.5 Ų | 102.5 | 63% | 0.628 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 142.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G43 C44 | A41-G43 PolarHBondContact O-N 3.33Å; A41-C44 WeakPolarHBondContact O-CB 2.95Å; A41-C44 PolarHBondContact O-N 2.93Å |
| 42 | K | 86.3 | Confident | 76.7 | Confident | 210 Ų | 210 | 91.8 Ų | 91.8 | 91% | 0.913 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 123.4 | -173.9 | -68.8 | -178.2 | 178.7 | 177.9 | 0 | 111 | ||
| 43 | G | 89.4 | Confident | 78.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 26% | 0.258 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 3.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A41 C56 S57 | A41-G43 PolarHBondContact O-N 3.33Å; G43-C56 CarbonylContact O-C 3.59Å; G43-C56 WeakPolarHBondContact O-CA 3.34Å; G43-S57 PolarHBondContact O-N 3.01Å; G43-S57 PolarHBondContact O-OG 3.41Å |
| 44 | C | 93.3 | Very high | 80.7 | Confident | 18 Ų | 18 | 85.7 Ų | 85.7 | 12% | 0.122 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.8 | 171.1 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | C40 A41 L46 C53 | C40-C44 HydrophobicContact CB-CB 3.99Å; A41-C44 WeakPolarHBondContact O-CB 2.95Å; A41-C44 PolarHBondContact O-N 2.93Å; C44-L46 VanDerWaalsContact SG-C 3.52Å; C44-L46 PolarHBondContact SG-O 2.91Å; C44-C53 VanDerWaalsContact CA-SG 3.59Å; C44-C53 HydrophobicContact CB-CB 3.9Å; C44-C53 WeakPolarHBondContact CB-SG 3.45Å; C44-C53 WeakPolarHBondContact SG-CA 3.43Å; C44-C53 WeakPolarHBondContact SG-CB 3.1Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.41Å |
| 45 | E | 92.4 | Very high | 82.7 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -33 | 177.4 | -63 | -178.2 | -179.5 | 0 | 0 | 112.6 | K55 S57 P58 | E45-K55 PolarHBondContact N-O 3.27Å; E45-K55 WeakPolarHBondContact OE2-CD 3.27Å; E45-K55 VanDerWaalsContact OE2-CE 3.3Å; E45-K55 WeakPolarHBondContact OE2-CE 3.41Å; E45-K55 IonicContact OE2-NZ 3.62Å; E45-K55 PolarHBondContact OE2-NZ 3.4Å; E45-S57 WeakPolarHBondContact OE1-CA 3.37Å; E45-P58 VanDerWaalsContact OE1-CD 3.31Å; E45-P58 WeakPolarHBondContact OE1-CD 3.25Å |
| 46 | L | 91.5 | Very high | 84.9 | Confident | 103 Ų | 103 | 78 Ų | 78 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 121.5 | -178.8 | -63 | 173.3 | 0 | 0 | 0 | 109 | C44 L54 K55 | C44-L46 VanDerWaalsContact SG-C 3.52Å; C44-L46 PolarHBondContact SG-O 2.91Å; L46-L54 HydrophobicContact CB-CB 4.35Å; L46-L54 WeakPolarHBondContact O-CA 3.42Å; L46-L54 WeakPolarHBondContact O-CB 3.19Å; L46-L54 PolarHBondContact O-N 2.97Å; L46-K55 HydrophobicContact CB-CB 4.05Å; L46-K55 HydrophobicContact CD1-CB 4.09Å; L46-K55 HydrophobicContact CD1-CD 4.31Å; L46-K55 HydrophobicContact CG-CB 4.29Å; L46-K55 PolarHBondContact N-O 2.92Å; L46-K55 PolarHBondContact O-N 2.99Å; L46-K55 VanDerWaalsContact O-N 3.13Å |
| 47 | C | 93.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 35% | 0.345 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 168.8 | 179.5 | 64.2 | 0 | 0 | 0 | 0 | 113 | C40 G52 | C40-C47 WeakPolarHBondContact CA-SG 3.47Å; C40-C47 HydrophobicContact CB-CB 3.74Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3.02Å; C40-C47 PolarHBondContact SG-N 2.95Å; C40-C47 VanDerWaalsContact SG-N 3.41Å; C40-C47 CovalentContact SG-SG 2.04Å; C40-C47 PolarHBondContact SG-SG 3.39Å; C47-G52 CarbonylContact C-O 3.6Å; C47-G52 VanDerWaalsContact CA-O 3.28Å; C47-G52 WeakPolarHBondContact CA-O 3.06Å; C47-G52 WeakPolarHBondContact CB-O 3.02Å |
| 48 | S | 91.5 | Very high | 88.7 | Confident | 46 Ų | 46 | 76.5 Ų | 76.5 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 141.5 | 172.3 | 171.9 | 0 | 0 | 0 | 0 | 108.8 | V50 N51 G52 | S48-V50 PolarHBondContact O-N 2.91Å; S48-N51 PolarHBondContact O-N 3.07Å; S48-G52 PolarHBondContact N-O 2.91Å; S48-G52 WeakPolarHBondContact O-CA 3.26Å; S48-G52 PolarHBondContact O-N 2.02Å; S48-G52 VanDerWaalsContact O-O 3.12Å |
| 49 | E | 87.1 | Confident | 90 | Very high | 173 Ų | 173 | 77.9 Ų | 77.9 | 81% | 0.808 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.6 | 179.5 | -65.5 | 166.8 | -161.3 | 0 | 0 | 113.6 | ||
| 50 | V | 88.3 | Confident | 90.8 | Very high | 81 Ų | 81 | 75.1 Ų | 75.1 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -37.5 | -175.8 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | S48 | S48-V50 PolarHBondContact O-N 2.91Š|
| 51 | N | 91.6 | Very high | 91.4 | Very high | 78 Ų | 78 | 73 Ų | 73 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 1.3 | -170.3 | -62.8 | -18.8 | 0 | 0 | 0 | 113.2 | S48 L54 V72 G73 | S48-N51 PolarHBondContact O-N 3.07Å; N51-L54 HydrophobicContact CB-CD2 3.79Å; N51-V72 WeakPolarHBondContact O-CA 3.31Å; N51-G73 PolarHBondContact O-N 2.92Å |
| 52 | G | 92 | Very high | 91.9 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.3 | -135.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C47 S48 | C47-G52 CarbonylContact C-O 3.6Å; C47-G52 VanDerWaalsContact CA-O 3.28Å; C47-G52 WeakPolarHBondContact CA-O 3.06Å; C47-G52 WeakPolarHBondContact CB-O 3.02Å; S48-G52 PolarHBondContact N-O 2.91Å; S48-G52 WeakPolarHBondContact O-CA 3.26Å; S48-G52 PolarHBondContact O-N 2.02Å; S48-G52 VanDerWaalsContact O-O 3.12Å |
| 53 | C | 93.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 132 | 175.9 | -164 | 0 | 0 | 0 | 0 | 112.3 | C44 K55 I62 G73 C75 | C44-C53 VanDerWaalsContact CA-SG 3.59Å; C44-C53 HydrophobicContact CB-CB 3.9Å; C44-C53 WeakPolarHBondContact CB-SG 3.45Å; C44-C53 WeakPolarHBondContact SG-CA 3.43Å; C44-C53 WeakPolarHBondContact SG-CB 3.1Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.41Å; C53-K55 PolarHBondContact SG-O 2.04Å; C53-I62 WeakPolarHBondContact O-CD1 3.43Å; C53-G73 WeakPolarHBondContact CB-O 3.41Å; C53-G73 PolarHBondContact N-O 2.74Å; C53-G73 WeakPolarHBondContact O-CA 3.33Å; C53-C75 PolarHBondContact SG-SG 3.49Å |
| 54 | L | 92 | Very high | 92.5 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -32.4 | 173 | -55.2 | 177.7 | 0 | 0 | 0 | 111.7 | L46 N51 | L46-L54 HydrophobicContact CB-CB 4.35Å; L46-L54 WeakPolarHBondContact O-CA 3.42Å; L46-L54 WeakPolarHBondContact O-CB 3.19Å; L46-L54 PolarHBondContact O-N 2.97Å; N51-L54 HydrophobicContact CB-CD2 3.79Å |
| 55 | K | 93 | Very high | 92.5 | Very high | 87 Ų | 87 | 67.2 Ų | 67.2 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 118.1 | 177.5 | -168.1 | -169.8 | 177.3 | -147.4 | 0 | 111.7 | E45 L46 C53 | E45-K55 PolarHBondContact N-O 3.27Å; E45-K55 WeakPolarHBondContact OE2-CD 3.27Å; E45-K55 VanDerWaalsContact OE2-CE 3.3Å; E45-K55 WeakPolarHBondContact OE2-CE 3.41Å; E45-K55 IonicContact OE2-NZ 3.62Å; E45-K55 PolarHBondContact OE2-NZ 3.4Å; L46-K55 HydrophobicContact CB-CB 4.05Å; L46-K55 HydrophobicContact CD1-CB 4.09Å; L46-K55 HydrophobicContact CD1-CD 4.31Å; L46-K55 HydrophobicContact CG-CB 4.29Å; L46-K55 PolarHBondContact N-O 2.92Å; L46-K55 PolarHBondContact O-N 2.99Å; L46-K55 VanDerWaalsContact O-N 3.13Å; C53-K55 PolarHBondContact SG-O 2.04Å |
| 56 | C | 94.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 72.1 Ų | 72.1 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 157.4 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | G43 L60 C75 | G43-C56 CarbonylContact O-C 3.59Å; G43-C56 WeakPolarHBondContact O-CA 3.34Å; C56-L60 HydrophobicContact CB-CB 4.16Å; C56-C75 WeakPolarHBondContact CA-SG 3.29Å; C56-C75 HydrophobicContact CB-CB 3.83Å; C56-C75 WeakPolarHBondContact CB-SG 3.35Å; C56-C75 WeakPolarHBondContact SG-CA 3.04Å; C56-C75 WeakPolarHBondContact SG-CB 3.33Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 2.99Å |
| 57 | S | 93.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -58.7 | 147.2 | 169.8 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | G43 E45 K59 L60 | G43-S57 PolarHBondContact O-N 3.01Å; G43-S57 PolarHBondContact O-OG 3.41Å; E45-S57 WeakPolarHBondContact OE1-CA 3.37Å; S57-K59 PolarHBondContact O-N 3.38Å; S57-L60 PolarHBondContact O-N 3.44Å | ||
| 58 | P | 89.7 | Confident | 91.9 | Very high | 102 Ų | 102 | 75.6 Ų | 75.6 | 66% | 0.662 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.8 | -164.7 | 23.2 | -35.7 | 0 | 0 | 0 | 116.4 | E45 N92 | E45-P58 VanDerWaalsContact OE1-CD 3.31Å; E45-P58 WeakPolarHBondContact OE1-CD 3.25Å; P58-N92 PolarHBondContact O-ND2 3.45Å |
| 59 | K | 91.1 | Very high | 91.7 | Very high | 186 Ų | 186 | 81.3 Ų | 81.3 | 81% | 0.809 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.9 | 173.9 | -65.6 | -173.5 | 178.6 | -177.8 | 0 | 114.1 | S57 | S57-K59 PolarHBondContact O-N 3.38Š|
| 60 | L | 95.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 80.4 Ų | 80.4 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -109.4 | 161.1 | -175.5 | -57 | 179.7 | 0 | 0 | 0 | 111.1 | C56 S57 C75 L76 P77 N92 | C56-L60 HydrophobicContact CB-CB 4.16Å; S57-L60 PolarHBondContact O-N 3.44Å; L60-C75 HydrophobicContact CB-CB 4.45Å; L60-C75 HydrophobicContact CD1-CB 3.99Å; L60-L76 WeakPolarHBondContact CA-O 3.44Å; L60-L76 WeakPolarHBondContact CB-O 3.29Å; L60-P77 HydrophobicContact CD2-CB 4.19Å; L60-N92 PolarHBondContact O-ND2 2.95Å |
| 61 | F | 95.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 81.7 Ų | 81.7 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.7 | 175.2 | -60.8 | -98.7 | 0 | 0 | 0 | 109.6 | C75 L76 D85 R87 N92 | F61-C75 WeakPolarHBondContact O-CA 2.96Å; F61-L76 PolarHBondContact N-O 3.05Å; F61-L76 PolarHBondContact O-N 2.86Å; F61-D85 HydrophobicContact CD1-CB 4.17Å; F61-D85 VanDerWaalsContact CE1-C 3.47Å; F61-D85 HydrophobicContact CE1-CB 3.5Å; F61-D85 VanDerWaalsContact CE1-CB 3.5Å; F61-D85 HydrophobicContact CE2-CB 4.3Å; F61-D85 HydrophobicContact CZ-CB 3.58Å; F61-R87 HydrophobicContact CE1-CG 4.01Å; F61-R87 HydrophobicContact CZ-CG 4.24Å; F61-N92 WeakPolarHBondContact CA-O 3.5Å; F61-N92 HydrophobicContact CB-CB 4.48Å; F61-N92 HydrophobicContact CD1-CB 3.35Å; F61-N92 HydrophobicContact CE1-CB 3.55Å; F61-N92 HydrophobicContact CG-CB 3.93Å; F61-N92 HydrophobicContact CZ-CB 4.28Å |
| 62 | I | 95.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 79.8 Ų | 79.8 | 5% | 0.046 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.8 | 170.1 | -167.5 | 171.4 | 0 | 0 | 0 | 110.3 | C53 L64 V74 M91 N92 K93 C94 | C53-I62 WeakPolarHBondContact O-CD1 3.43Å; I62-L64 HydrophobicContact CD1-CD2 4.18Å; I62-L64 HydrophobicContact CG1-CD2 4.32Å; I62-V74 WeakPolarHBondContact CA-O 3.01Å; I62-M91 HydrophobicContact CD1-CE 4.27Å; I62-M91 HydrophobicContact CG2-CE 3.81Å; I62-N92 PolarHBondContact N-O 2.95Å; I62-K93 HydrophobicContact CG2-CB 4.36Å; I62-K93 HydrophobicContact CG2-CG 3.87Å; I62-K93 WeakPolarHBondContact O-CA 3.42Å; I62-C94 PolarHBondContact O-N 2.92Å |
| 63 | L | 95.3 | Very high | 92 | Very high | 17 Ų | 17 | 79 Ų | 79 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.8 | 164.4 | 178.6 | 64 | 0 | 0 | 0 | 108.4 | G73 V74 L76 P80 Y83 C94 | L63-G73 CarbonylContact O-C 3.58Å; L63-G73 WeakPolarHBondContact O-CA 3.02Å; L63-V74 PolarHBondContact N-O 3.39Å; L63-V74 PolarHBondContact O-N 2.66Å; L63-L76 HydrophobicContact CB-CD1 4.08Å; L63-L76 HydrophobicContact CD2-CD1 3.85Å; L63-P80 HydrophobicContact CD2-CG 3.99Å; L63-Y83 HydrophobicContact CD1-CD1 3.74Å; L63-Y83 HydrophobicContact CD1-CE1 3.47Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.47Å; L63-Y83 HydrophobicContact CD1-CE2 4.45Å; L63-Y83 HydrophobicContact CD1-CG 4.35Å; L63-C94 HydrophobicContact CB-CB 4.1Å; L63-C94 HydrophobicContact CD1-CB 3.7Å |
| 64 | L | 93.6 | Very high | 92 | Very high | 88 Ų | 88 | 80.8 Ų | 80.8 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 92.3 | 171.3 | -63.2 | 179.3 | 0 | 0 | 0 | 108.6 | I62 Q71 | I62-L64 HydrophobicContact CD1-CD2 4.18Å; I62-L64 HydrophobicContact CG1-CD2 4.32Å; L64-Q71 HydrophobicContact CB-CG 4.01Å |
| 65 | E | 92.7 | Very high | 92.2 | Very high | 93 Ų | 93 | 78 Ų | 78 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 142.5 | 176.3 | -171.6 | 163.9 | -131.3 | 0 | 0 | 109.9 | Q71 V72 | E65-Q71 CarbonylContact O-C 3.49Å; E65-Q71 WeakPolarHBondContact O-CA 3.46Å; E65-V72 PolarHBondContact N-O 3.03Å; E65-V72 PolarHBondContact O-N 2.82Å |
| 66 | R | 91.3 | Very high | 92.3 | Very high | 188 Ų | 188 | 76 Ų | 76 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 108.4 | -177.5 | -176.6 | -176.2 | 176.1 | 171.7 | 1.6 | 110.4 | D68 R70 | R66-D68 PolarHBondContact NE-O 3.27Å; R66-D68 PolarHBondContact NH2-O 3.03Å; R66-D68 VanDerWaalsContact NH2-O 3.12Å; R66-R70 WeakPolarHBondContact CA-O 3.39Å |
| 67 | N | 87.4 | Confident | 92.3 | Very high | 88 Ų | 88 | 80.3 Ų | 80.3 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 95.5 | 175.1 | -62.7 | -17.9 | 0 | 0 | 0 | 107.1 | I69 R70 | N67-I69 PolarHBondContact O-N 3.46Å; N67-R70 PolarHBondContact N-O 2.82Å; N67-R70 PolarHBondContact O-N 2.76Å |
| 68 | D | 85.6 | Confident | 92.3 | Very high | 139 Ų | 139 | 81.5 Ų | 81.5 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -97.3 | -175 | -51.9 | -55.9 | 0 | 0 | 0 | 114.5 | R66 | R66-D68 PolarHBondContact NE-O 3.27Å; R66-D68 PolarHBondContact NH2-O 3.03Å; R66-D68 VanDerWaalsContact NH2-O 3.12Å |
| 69 | I | 88.4 | Confident | 92.5 | Very high | 167 Ų | 167 | 77.6 Ų | 77.6 | 86% | 0.856 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -24.3 | -178.3 | -52.8 | 173.9 | 0 | 0 | 0 | 110.3 | N67 | N67-I69 PolarHBondContact O-N 3.46Š|
| 70 | R | 86.8 | Confident | 92.6 | Very high | 154 Ų | 154 | 70.8 Ų | 70.8 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 140.5 | -177 | -62.4 | 179.1 | -177.4 | -103.2 | 0.9 | 110.6 | R66 N67 V72 | R66-R70 WeakPolarHBondContact CA-O 3.39Å; N67-R70 PolarHBondContact N-O 2.82Å; N67-R70 PolarHBondContact O-N 2.76Å; R70-V72 HydrophobicContact CB-CG2 4.49Å |
| 71 | Q | 91.8 | Very high | 92.3 | Very high | 108 Ų | 108 | 74 Ų | 74 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.3 | 169.3 | -173.4 | 168.8 | 48.6 | 0 | 0 | 108.7 | L64 E65 | L64-Q71 HydrophobicContact CB-CG 4.01Å; E65-Q71 CarbonylContact O-C 3.49Å; E65-Q71 WeakPolarHBondContact O-CA 3.46Å |
| 72 | V | 92.9 | Very high | 92 | Very high | 38 Ų | 38 | 74.7 Ų | 74.7 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.5 | -169.8 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | N51 E65 R70 | N51-V72 WeakPolarHBondContact O-CA 3.31Å; E65-V72 PolarHBondContact N-O 3.03Å; E65-V72 PolarHBondContact O-N 2.82Å; R70-V72 HydrophobicContact CB-CG2 4.49Å |
| 73 | G | 93.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 77.6 Ų | 77.6 | 6% | 0.062 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N51 C53 L63 | N51-G73 PolarHBondContact O-N 2.92Å; C53-G73 WeakPolarHBondContact CB-O 3.41Å; C53-G73 PolarHBondContact N-O 2.74Å; C53-G73 WeakPolarHBondContact O-CA 3.33Å; L63-G73 CarbonylContact O-C 3.58Å; L63-G73 WeakPolarHBondContact O-CA 3.02Å |
| 74 | V | 93.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 77.9 Ų | 77.9 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.2 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | I62 L63 L76 | I62-V74 WeakPolarHBondContact CA-O 3.01Å; L63-V74 PolarHBondContact N-O 3.39Å; L63-V74 PolarHBondContact O-N 2.66Å; V74-L76 HydrophobicContact CG1-CD2 4.11Å; V74-L76 HydrophobicContact CG1-CG 4.36Å |
| 75 | C | 95.5 | Very high | 91.8 | Very high | 27 Ų | 27 | 76.6 Ų | 76.6 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.7 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | C53 C56 L60 F61 | C53-C75 PolarHBondContact SG-SG 3.49Å; C56-C75 WeakPolarHBondContact CA-SG 3.29Å; C56-C75 HydrophobicContact CB-CB 3.83Å; C56-C75 WeakPolarHBondContact CB-SG 3.35Å; C56-C75 WeakPolarHBondContact SG-CA 3.04Å; C56-C75 WeakPolarHBondContact SG-CB 3.33Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 2.99Å; L60-C75 HydrophobicContact CB-CB 4.45Å; L60-C75 HydrophobicContact CD1-CB 3.99Å; F61-C75 WeakPolarHBondContact O-CA 2.96Å |
| 76 | L | 95 | Very high | 91.9 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.7 | -178.3 | -60.7 | 177 | 0 | 0 | 0 | 111.3 | L60 F61 L63 V74 S78 | L60-L76 WeakPolarHBondContact CA-O 3.44Å; L60-L76 WeakPolarHBondContact CB-O 3.29Å; F61-L76 PolarHBondContact N-O 3.05Å; F61-L76 PolarHBondContact O-N 2.86Å; L63-L76 HydrophobicContact CB-CD1 4.08Å; L63-L76 HydrophobicContact CD2-CD1 3.85Å; V74-L76 HydrophobicContact CG1-CD2 4.11Å; V74-L76 HydrophobicContact CG1-CG 4.36Å; L76-S78 WeakPolarHBondContact CB-O 3.33Å |
| 77 | P | 94.2 | Very high | 91.9 | Very high | 103 Ų | 103 | 72.8 Ų | 72.8 | 67% | 0.669 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73.9 | -26.8 | 176.9 | 29.9 | -34.5 | 0 | 0 | 0 | 113.3 | L60 | L60-P77 HydrophobicContact CD2-CB 4.19Š|
| 78 | S | 93.3 | Very high | 92.1 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -156.3 | 158.3 | 170 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | L76 D85 | L76-S78 WeakPolarHBondContact CB-O 3.33Å; S78-D85 PolarHBondContact OG-OD1 3.26Å; S78-D85 PolarHBondContact OG-OD2 3.18Å |
| 79 | C | 93.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 151.1 | -170 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | D85 C94 | C79-D85 VanDerWaalsContact CB-OD1 3.26Å; C79-D85 WeakPolarHBondContact CB-OD1 3.47Å; C79-D85 PolarHBondContact N-OD1 2.83Å; C79-D85 PolarHBondContact SG-OD1 2.92Å; C79-C94 VanDerWaalsContact CA-SG 3.55Å; C79-C94 HydrophobicContact CB-CB 3.76Å; C79-C94 WeakPolarHBondContact CB-SG 3.33Å; C79-C94 WeakPolarHBondContact SG-CA 3.41Å; C79-C94 WeakPolarHBondContact SG-CB 3.46Å; C79-C94 CovalentContact SG-SG 2.03Å; C79-C94 PolarHBondContact SG-SG 3.36Å |
| 80 | P | 92.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 29% | 0.286 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 165.6 | -179.5 | 31.3 | -36.1 | 0 | 0 | 0 | 112.4 | L63 Y83 | L63-P80 HydrophobicContact CD2-CG 3.99Å; P80-Y83 HydrophobicContact CG-CD2 3.94Å; P80-Y83 HydrophobicContact CG-CE2 4.49Å; P80-Y83 HydrophobicContact CG-CG 4.42Å; P80-Y83 WeakPolarHBondContact O-CB 3.37Å; P80-Y83 PolarHBondContact O-N 2.87Å |
| 81 | P | 90.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 65 Ų | 65 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 142.1 | 174.6 | -28.1 | 35.8 | 0 | 0 | 0 | 113.1 | Y83 | P81-Y83 VanDerWaalsContact C-N 3.29Š|
| 82 | G | 88.8 | Confident | 92.4 | Very high | 20 Ų | 20 | 60.9 Ų | 60.9 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | K96 C97 E103 | G82-K96 CarbonylContact O-C 3.51Å; G82-K96 WeakPolarHBondContact O-CA 3.04Å; G82-K96 WeakPolarHBondContact O-CG 3.24Å; G82-C97 PolarHBondContact O-N 3.39Å; G82-E103 WeakPolarHBondContact CA-O 3.47Å; G82-E103 PolarHBondContact N-O 2.85Å |
| 83 | Y | 92.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 28% | 0.275 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 163.6 | 173.5 | -65.7 | -107.8 | 0 | 0 | 0 | 111.1 | L63 P80 P81 C94 I95 K96 | L63-Y83 HydrophobicContact CD1-CD1 3.74Å; L63-Y83 HydrophobicContact CD1-CE1 3.47Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.47Å; L63-Y83 HydrophobicContact CD1-CE2 4.45Å; L63-Y83 HydrophobicContact CD1-CG 4.35Å; P80-Y83 HydrophobicContact CG-CD2 3.94Å; P80-Y83 HydrophobicContact CG-CE2 4.49Å; P80-Y83 HydrophobicContact CG-CG 4.42Å; P80-Y83 WeakPolarHBondContact O-CB 3.37Å; P80-Y83 PolarHBondContact O-N 2.87Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; Y83-C94 HydrophobicContact CD1-CB 3.98Å; Y83-C94 HydrophobicContact CG-CB 4.44Å; Y83-I95 CarbonylContact C-O 3.6Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.35Å; Y83-K96 HydrophobicContact CD1-CB 3.98Å; Y83-K96 HydrophobicContact CE1-CB 3.77Å; Y83-K96 HydrophobicContact CE1-CG 4.25Å; Y83-K96 HydrophobicContact CE2-CG 4.34Å |
| 84 | F | 94.2 | Very high | 92.5 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.3 | 173.4 | 71.5 | -88 | 0 | 0 | 0 | 113 | A86 I95 C105 H108 | F84-A86 HydrophobicContact CD2-CB 4.22Å; F84-A86 HydrophobicContact CE2-CB 3.88Å; F84-A86 PolarHBondContact O-N 3Å; F84-I95 HydrophobicContact CD1-CB 4.1Å; F84-I95 HydrophobicContact CD1-CG2 4.36Å; F84-I95 WeakPolarHBondContact CD1-O 3.02Å; F84-I95 HydrophobicContact CE1-CB 3.6Å; F84-I95 HydrophobicContact CE1-CG2 3.51Å; F84-I95 HydrophobicContact CE2-CB 4.31Å; F84-I95 HydrophobicContact CZ-CB 3.72Å; F84-I95 HydrophobicContact CZ-CD1 4.23Å; F84-I95 HydrophobicContact CZ-CG1 4.5Å; F84-I95 HydrophobicContact CZ-CG2 3.76Å; F84-I95 PolarHBondContact N-O 3.2Å; F84-I95 PolarHBondContact O-N 2.84Å; F84-C105 WeakPolarHBondContact CB-O 3.43Å; F84-C105 VanDerWaalsContact CD1-SG 3.52Å; F84-H108 HydrophobicContact CE1-CB 4.28Å; F84-H108 HydrophobicContact CZ-CB 4.24Å |
| 85 | D | 93.7 | Very high | 92.5 | Very high | 61 Ų | 61 | 64 Ų | 64 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 77.8 | -177.5 | -78.7 | 0.6 | 0 | 0 | 0 | 111.6 | F61 S78 C79 R87 | F61-D85 HydrophobicContact CD1-CB 4.17Å; F61-D85 VanDerWaalsContact CE1-C 3.47Å; F61-D85 HydrophobicContact CE1-CB 3.5Å; F61-D85 VanDerWaalsContact CE1-CB 3.5Å; F61-D85 HydrophobicContact CE2-CB 4.3Å; F61-D85 HydrophobicContact CZ-CB 3.58Å; S78-D85 PolarHBondContact OG-OD1 3.26Å; S78-D85 PolarHBondContact OG-OD2 3.18Å; C79-D85 VanDerWaalsContact CB-OD1 3.26Å; C79-D85 WeakPolarHBondContact CB-OD1 3.47Å; C79-D85 PolarHBondContact N-OD1 2.83Å; C79-D85 PolarHBondContact SG-OD1 2.92Å; D85-R87 PolarHBondContact O-N 3.2Å |
| 86 | A | 93.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F84 N92 K93 I95 | F84-A86 HydrophobicContact CD2-CB 4.22Å; F84-A86 HydrophobicContact CE2-CB 3.88Å; F84-A86 PolarHBondContact O-N 3Å; A86-N92 CarbonylContact O-C 3.58Å; A86-N92 VanDerWaalsContact O-CA 3.27Å; A86-N92 WeakPolarHBondContact O-CA 3.35Å; A86-K93 VanDerWaalsContact CB-O 3.31Å; A86-K93 WeakPolarHBondContact CB-O 3.33Å; A86-K93 PolarHBondContact N-O 2.84Å; A86-K93 PolarHBondContact O-N 2.72Å; A86-I95 HydrophobicContact CB-CB 4.38Å; A86-I95 HydrophobicContact CB-CD1 3.43Å; A86-I95 VanDerWaalsContact CB-CD1 3.43Å; A86-I95 HydrophobicContact CB-CG1 3.68Å |
| 87 | R | 92.8 | Very high | 92.2 | Very high | 190 Ų | 190 | 68 Ų | 68 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 98.3 | 176.4 | -62.1 | 178 | -176.3 | -108.9 | -1.5 | 109.9 | F61 D85 | F61-R87 HydrophobicContact CE1-CG 4.01Å; F61-R87 HydrophobicContact CZ-CG 4.24Å; D85-R87 PolarHBondContact O-N 3.2Å |
| 88 | N | 89.9 | Confident | 92 | Very high | 66 Ų | 66 | 71.5 Ų | 71.5 | 35% | 0.353 | 37% | 0.372 | S | S | . | . | trans | -96.3 | 154.5 | 173.2 | -67 | 81.5 | 0 | 0 | 0 | 110.4 | D90 M91 | N88-D90 PolarHBondContact O-N 2.72Å; N88-M91 WeakPolarHBondContact CB-O 3.16Å; N88-M91 PolarHBondContact O-N 3.31Å | ||
| 89 | P | 90.1 | Very high | 91.9 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 87% | 0.87 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -56.3 | -30.7 | 177.1 | -26.6 | 35.9 | 0 | 0 | 0 | 114.5 | ||
| 90 | D | 87.1 | Confident | 91.7 | Very high | 126 Ų | 126 | 76.2 Ų | 76.2 | 67% | 0.674 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -82.4 | -41.1 | -174.8 | -33.9 | -78.6 | 0 | 0 | 0 | 112.9 | N88 | N88-D90 PolarHBondContact O-N 2.72Š|
| 91 | M | 89.1 | Confident | 91.6 | Very high | 59 Ų | 59 | 79.1 Ų | 79.1 | 29% | 0.291 | 40% | 0.395 | S | S | . | . | trans | -173.5 | 142 | -174.9 | 62 | -147.7 | -78.4 | 0 | 0 | 109.7 | I62 N88 K93 | I62-M91 HydrophobicContact CD1-CE 4.27Å; I62-M91 HydrophobicContact CG2-CE 3.81Å; N88-M91 WeakPolarHBondContact CB-O 3.16Å; N88-M91 PolarHBondContact O-N 3.31Å; M91-K93 HydrophobicContact CG-CD 4.26Å; M91-K93 HydrophobicContact CG-CG 3.99Å; M91-K93 WeakPolarHBondContact SD-CE 3.34Å | ||
| 92 | N | 94 | Very high | 91.7 | Very high | 22 Ų | 22 | 74.8 Ų | 74.8 | 12% | 0.118 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.9 | 172.5 | -32.5 | -78 | 0 | 0 | 0 | 110.4 | P58 L60 F61 I62 A86 | P58-N92 PolarHBondContact O-ND2 3.45Å; L60-N92 PolarHBondContact O-ND2 2.95Å; F61-N92 WeakPolarHBondContact CA-O 3.5Å; F61-N92 HydrophobicContact CB-CB 4.48Å; F61-N92 HydrophobicContact CD1-CB 3.35Å; F61-N92 HydrophobicContact CE1-CB 3.55Å; F61-N92 HydrophobicContact CG-CB 3.93Å; F61-N92 HydrophobicContact CZ-CB 4.28Å; I62-N92 PolarHBondContact N-O 2.95Å; A86-N92 CarbonylContact O-C 3.58Å; A86-N92 VanDerWaalsContact O-CA 3.27Å; A86-N92 WeakPolarHBondContact O-CA 3.35Å |
| 93 | K | 94.1 | Very high | 91.8 | Very high | 79 Ų | 79 | 76.8 Ų | 76.8 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.8 | -173.8 | -58.6 | -178.1 | -177 | 177.8 | 0 | 111.4 | I62 A86 M91 I95 | I62-K93 HydrophobicContact CG2-CB 4.36Å; I62-K93 HydrophobicContact CG2-CG 3.87Å; I62-K93 WeakPolarHBondContact O-CA 3.42Å; A86-K93 VanDerWaalsContact CB-O 3.31Å; A86-K93 WeakPolarHBondContact CB-O 3.33Å; A86-K93 PolarHBondContact N-O 2.84Å; A86-K93 PolarHBondContact O-N 2.72Å; M91-K93 HydrophobicContact CG-CD 4.26Å; M91-K93 HydrophobicContact CG-CG 3.99Å; M91-K93 WeakPolarHBondContact SD-CE 3.34Å; K93-I95 HydrophobicContact CB-CG1 4.4Å; K93-I95 PolarHBondContact O-N 2.82Å |
| 94 | C | 94.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 75 Ų | 75 | 9% | 0.088 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 110.5 | 165.5 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | I62 L63 C79 Y83 | I62-C94 PolarHBondContact O-N 2.92Å; L63-C94 HydrophobicContact CB-CB 4.1Å; L63-C94 HydrophobicContact CD1-CB 3.7Å; C79-C94 VanDerWaalsContact CA-SG 3.55Å; C79-C94 HydrophobicContact CB-CB 3.76Å; C79-C94 WeakPolarHBondContact CB-SG 3.33Å; C79-C94 WeakPolarHBondContact SG-CA 3.41Å; C79-C94 WeakPolarHBondContact SG-CB 3.46Å; C79-C94 CovalentContact SG-SG 2.03Å; C79-C94 PolarHBondContact SG-SG 3.36Å; Y83-C94 HydrophobicContact CD1-CB 3.98Å; Y83-C94 HydrophobicContact CG-CB 4.44Å |
| 95 | I | 92.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 74.4 Ų | 74.4 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.1 | 177.7 | -59.3 | -177.5 | 0 | 0 | 0 | 108.9 | Y83 F84 A86 K93 | Y83-I95 CarbonylContact C-O 3.6Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.35Å; F84-I95 HydrophobicContact CD1-CB 4.1Å; F84-I95 HydrophobicContact CD1-CG2 4.36Å; F84-I95 WeakPolarHBondContact CD1-O 3.02Å; F84-I95 HydrophobicContact CE1-CB 3.6Å; F84-I95 HydrophobicContact CE1-CG2 3.51Å; F84-I95 HydrophobicContact CE2-CB 4.31Å; F84-I95 HydrophobicContact CZ-CB 3.72Å; F84-I95 HydrophobicContact CZ-CD1 4.23Å; F84-I95 HydrophobicContact CZ-CG1 4.5Å; F84-I95 HydrophobicContact CZ-CG2 3.76Å; F84-I95 PolarHBondContact N-O 3.2Å; F84-I95 PolarHBondContact O-N 2.84Å; A86-I95 HydrophobicContact CB-CB 4.38Å; A86-I95 HydrophobicContact CB-CD1 3.43Å; A86-I95 VanDerWaalsContact CB-CD1 3.43Å; A86-I95 HydrophobicContact CB-CG1 3.68Å; K93-I95 HydrophobicContact CB-CG1 4.4Å; K93-I95 PolarHBondContact O-N 2.82Å |
| 96 | K | 91.6 | Very high | 91.5 | Very high | 136 Ų | 136 | 79 Ų | 79 | 59% | 0.591 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 135.4 | -179.9 | -164.1 | 171.8 | -176.7 | 169.3 | 0 | 110.9 | G82 Y83 K98 | G82-K96 CarbonylContact O-C 3.51Å; G82-K96 WeakPolarHBondContact O-CA 3.04Å; G82-K96 WeakPolarHBondContact O-CG 3.24Å; Y83-K96 HydrophobicContact CD1-CB 3.98Å; Y83-K96 HydrophobicContact CE1-CB 3.77Å; Y83-K96 HydrophobicContact CE1-CG 4.25Å; Y83-K96 HydrophobicContact CE2-CG 4.34Å; K96-K98 PolarHBondContact O-N 2.04Å |
| 97 | C | 92.4 | Very high | 91.3 | Very high | 20 Ų | 20 | 79.9 Ų | 79.9 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 131.4 | 173.9 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | G82 C105 | G82-C97 PolarHBondContact O-N 3.39Å; C97-C105 VanDerWaalsContact CA-SG 3.51Å; C97-C105 HydrophobicContact CB-CB 4.03Å; C97-C105 WeakPolarHBondContact CB-SG 3.27Å; C97-C105 WeakPolarHBondContact SG-CB 3.31Å; C97-C105 CovalentContact SG-SG 2.04Å; C97-C105 PolarHBondContact SG-SG 2.83Å |
| 98 | K | 91.3 | Very high | 91 | Very high | 176 Ų | 176 | 75.7 Ų | 75.7 | 77% | 0.765 | 38% | 0.381 | S | S | * | . | trans | -98 | 4.8 | 177 | -66.7 | -170.8 | 176.3 | -174 | 0 | 113.4 | K96 | K96-K98 PolarHBondContact O-N 2.04Š| ||
| 99 | I | 91.1 | Very high | 91 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -93.2 | 125.4 | -174.4 | -51.4 | 170 | 0 | 0 | 0 | 107.9 | C102 C105 H108 F110 C111 | I99-C102 HydrophobicContact CB-CB 3.86Å; I99-C102 HydrophobicContact CG2-CB 4.07Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.67Å; I99-C105 HydrophobicContact CD1-CB 4.14Å; I99-H108 WeakPolarHBondContact CG1-O 3.3Å; I99-F110 VanDerWaalsContact CD1-C 3.47Å; I99-C111 HydrophobicContact CD1-CB 3.85Å; I99-C111 HydrophobicContact CG2-CB 4.29Å |
| 100 | E | 89.9 | Confident | 91.1 | Very high | 160 Ų | 160 | 75 Ų | 75 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 144.9 | 178.7 | -58.7 | -172.9 | 152.1 | 0 | 0 | 111.1 | C102 | E100-C102 PolarHBondContact O-N 2.95Š|
| 101 | H | 90.4 | Very high | 91.4 | Very high | 105 Ų | 105 | 69 Ų | 69 | 49% | 0.486 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 18.9 | -179.4 | -58 | -92 | 0 | 0 | 0 | 116.1 | K115 L118 C125 | H101-K115 WeakPolarHBondContact O-CB 3.48Å; H101-K115 WeakPolarHBondContact O-CG 3.44Å; H101-K115 PolarHBondContact O-N 3.02Å; H101-L118 HydrophobicContact CB-CD1 4.01Å; H101-L118 HydrophobicContact CB-CD2 3.47Å; H101-L118 VanDerWaalsContact CB-CD2 3.47Å; H101-L118 HydrophobicContact CB-CG 4.34Å; H101-C125 HydrophobicContact CB-CB 4.28Å |
| 102 | C | 92.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 69.7 Ų | 69.7 | 8% | 0.081 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 143.4 | 173.6 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | I99 E100 A104 C111 | I99-C102 HydrophobicContact CB-CB 3.86Å; I99-C102 HydrophobicContact CG2-CB 4.07Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.67Å; E100-C102 PolarHBondContact O-N 2.95Å; C102-A104 VanDerWaalsContact SG-C 3.54Å; C102-A104 PolarHBondContact SG-O 3.43Å; C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 4.03Å; C102-C111 WeakPolarHBondContact CB-SG 3.43Å; C102-C111 WeakPolarHBondContact SG-CB 3.36Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.84Å |
| 103 | E | 90.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 73.7 Ų | 73.7 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -47.6 | 173.2 | -174.3 | -166.1 | 133.8 | 0 | 0 | 111.1 | G82 K113 K115 | G82-E103 WeakPolarHBondContact CA-O 3.47Å; G82-E103 PolarHBondContact N-O 2.85Å; E103-K113 WeakPolarHBondContact CB-O 3.49Å; E103-K113 PolarHBondContact N-O 3.15Å; E103-K113 IonicContact OE1-NZ 2.76Å; E103-K113 PolarHBondContact OE1-NZ 2.83Å; E103-K113 WeakPolarHBondContact OE2-CD 3.14Å; E103-K113 WeakPolarHBondContact OE2-CE 3.41Å; E103-K113 IonicContact OE2-NZ 3.86Å; E103-K113 PolarHBondContact OE2-NZ 3.5Å; E103-K115 HydrophobicContact CB-CG 4.5Å |
| 104 | A | 89.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 70.7 Ų | 70.7 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | C102 C111 T112 K113 | C102-A104 VanDerWaalsContact SG-C 3.54Å; C102-A104 PolarHBondContact SG-O 3.43Å; A104-C111 PolarHBondContact O-SG 2.87Å; A104-C111 VanDerWaalsContact O-SG 3.32Å; A104-T112 PolarHBondContact O-N 3.3Å; A104-T112 PolarHBondContact O-OG1 3.25Å; A104-T112 VanDerWaalsContact O-OG1 3.06Å; A104-K113 HydrophobicContact CB-CB 4.06Å; A104-K113 PolarHBondContact N-O 3.19Å; A104-K113 VanDerWaalsContact N-O 3.15Å; A104-K113 PolarHBondContact O-N 2.84Å |
| 105 | C | 93 | Very high | 90.9 | Very high | 10 Ų | 10 | 75.3 Ų | 75.3 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.3 | 175.4 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | F84 C97 I99 F110 | F84-C105 WeakPolarHBondContact CB-O 3.43Å; F84-C105 VanDerWaalsContact CD1-SG 3.52Å; C97-C105 VanDerWaalsContact CA-SG 3.51Å; C97-C105 HydrophobicContact CB-CB 4.03Å; C97-C105 WeakPolarHBondContact CB-SG 3.27Å; C97-C105 WeakPolarHBondContact SG-CB 3.31Å; C97-C105 CovalentContact SG-SG 2.04Å; C97-C105 PolarHBondContact SG-SG 2.83Å; I99-C105 HydrophobicContact CD1-CB 4.14Å; C105-F110 CarbonylContact C-O 3.49Å; C105-F110 WeakPolarHBondContact CA-O 3Å; C105-F110 WeakPolarHBondContact CB-O 3.43Å |
| 106 | F | 91.5 | Very high | 90.7 | Very high | 157 Ų | 157 | 80.7 Ų | 80.7 | 69% | 0.689 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -29.3 | 171.3 | 177.2 | -104.9 | 0 | 0 | 0 | 111.3 | F110 T112 | F106-F110 HydrophobicContact CB-CD1 4.15Å; F106-F110 PolarHBondContact N-O 2.74Å; F106-T112 HydrophobicContact CB-CG2 3.78Å |
| 107 | S | 90.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 76.7 Ų | 76.7 | 21% | 0.21 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 172.8 | 175.6 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | N109 F110 | S107-N109 PolarHBondContact O-N 3.15Å; S107-N109 PolarHBondContact OG-N 2.87Å; S107-F110 PolarHBondContact N-O 2.91Å; S107-F110 PolarHBondContact O-N 2.72Å; S107-F110 VanDerWaalsContact O-N 3.16Å; S107-F110 WeakPolarHBondContact OG-CB 3.02Å; S107-F110 PolarHBondContact OG-N 2.75Å |
| 108 | H | 86.4 | Confident | 90.3 | Very high | 102 Ų | 102 | 76.8 Ų | 76.8 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -21.3 | 176.1 | 69.4 | -88.5 | 0 | 0 | 0 | 115.1 | F84 I99 | F84-H108 HydrophobicContact CE1-CB 4.28Å; F84-H108 HydrophobicContact CZ-CB 4.24Å; I99-H108 WeakPolarHBondContact CG1-O 3.3Å |
| 109 | N | 89.1 | Confident | 90.2 | Very high | 88 Ų | 88 | 72.3 Ų | 72.3 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -5.1 | 179.9 | -82.5 | -20.2 | 0 | 0 | 0 | 114.3 | S107 | S107-N109 PolarHBondContact O-N 3.15Å; S107-N109 PolarHBondContact OG-N 2.87Å |
| 110 | F | 92.5 | Very high | 90.1 | Very high | 98 Ų | 98 | 72.5 Ų | 72.5 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 103.7 | -175.4 | -163.7 | -81.4 | 0 | 0 | 0 | 111.7 | I99 C105 F106 S107 T112 | I99-F110 VanDerWaalsContact CD1-C 3.47Å; C105-F110 CarbonylContact C-O 3.49Å; C105-F110 WeakPolarHBondContact CA-O 3Å; C105-F110 WeakPolarHBondContact CB-O 3.43Å; F106-F110 HydrophobicContact CB-CD1 4.15Å; F106-F110 PolarHBondContact N-O 2.74Å; S107-F110 PolarHBondContact N-O 2.91Å; S107-F110 PolarHBondContact O-N 2.72Å; S107-F110 VanDerWaalsContact O-N 3.16Å; S107-F110 WeakPolarHBondContact OG-CB 3.02Å; S107-F110 PolarHBondContact OG-N 2.75Å; F110-T112 HydrophobicContact CD1-CG2 4.16Å; F110-T112 HydrophobicContact CE1-CG2 4.11Å |
| 111 | C | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 141.4 | 169.8 | -164.5 | 0 | 0 | 0 | 0 | 110.1 | I99 C102 A104 K113 L120 G123 | I99-C111 HydrophobicContact CD1-CB 3.85Å; I99-C111 HydrophobicContact CG2-CB 4.29Å; C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 4.03Å; C102-C111 WeakPolarHBondContact CB-SG 3.43Å; C102-C111 WeakPolarHBondContact SG-CB 3.36Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.84Å; A104-C111 PolarHBondContact O-SG 2.87Å; A104-C111 VanDerWaalsContact O-SG 3.32Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 2.03Å; C111-L120 HydrophobicContact CB-CD1 4.06Å; C111-G123 VanDerWaalsContact CB-O 3.31Å; C111-G123 WeakPolarHBondContact CB-O 3.01Å; C111-G123 PolarHBondContact N-O 2.04Å |
| 112 | T | 90.9 | Very high | 89.9 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -26.1 | 173.7 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | A104 F106 F110 | A104-T112 PolarHBondContact O-N 3.3Å; A104-T112 PolarHBondContact O-OG1 3.25Å; A104-T112 VanDerWaalsContact O-OG1 3.06Å; F106-T112 HydrophobicContact CB-CG2 3.78Å; F110-T112 HydrophobicContact CD1-CG2 4.16Å; F110-T112 HydrophobicContact CE1-CG2 4.11Å |
| 113 | K | 89.3 | Confident | 89.7 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 46% | 0.461 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 117.9 | 173.8 | -169 | -174 | 174.4 | -152.2 | 0 | 110.3 | E103 A104 C111 | E103-K113 WeakPolarHBondContact CB-O 3.49Å; E103-K113 PolarHBondContact N-O 3.15Å; E103-K113 IonicContact OE1-NZ 2.76Å; E103-K113 PolarHBondContact OE1-NZ 2.83Å; E103-K113 WeakPolarHBondContact OE2-CD 3.14Å; E103-K113 WeakPolarHBondContact OE2-CE 3.41Å; E103-K113 IonicContact OE2-NZ 3.86Å; E103-K113 PolarHBondContact OE2-NZ 3.5Å; A104-K113 HydrophobicContact CB-CB 4.06Å; A104-K113 PolarHBondContact N-O 3.19Å; A104-K113 VanDerWaalsContact N-O 3.15Å; A104-K113 PolarHBondContact O-N 2.84Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 2.03Å |
| 114 | C | 91.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 159.1 | 171.4 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | L118 C125 | C114-L118 HydrophobicContact CB-CB 4.29Å; C114-C125 WeakPolarHBondContact CA-SG 3.36Å; C114-C125 HydrophobicContact CB-CB 3.84Å; C114-C125 WeakPolarHBondContact CB-SG 3.05Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 3.05Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 2.94Å |
| 115 | K | 90.8 | Very high | 89.8 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 154.7 | 167.1 | -69.7 | -178.5 | -178.4 | -172.5 | 0 | 110.7 | H101 E103 G117 L118 | H101-K115 WeakPolarHBondContact O-CB 3.48Å; H101-K115 WeakPolarHBondContact O-CG 3.44Å; H101-K115 PolarHBondContact O-N 3.02Å; E103-K115 HydrophobicContact CB-CG 4.5Å; K115-G117 PolarHBondContact O-N 2.95Å; K115-L118 HydrophobicContact CB-CD1 4.31Å; K115-L118 PolarHBondContact O-N 3.47Å |
| 116 | E | 88.4 | Confident | 89.7 | Confident | 178 Ų | 178 | 73.8 Ų | 73.8 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 134.7 | 179.5 | -61.9 | 175 | -179.6 | 0 | 0 | 112.2 | L118 | E116-L118 VanDerWaalsContact C-N 3.34Š|
| 117 | G | 86.1 | Confident | 89.6 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 54% | 0.536 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 4.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | K115 | K115-G117 PolarHBondContact O-N 2.95Š|
| 118 | L | 89.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | trans | -115.5 | 143.3 | 170.2 | -67.5 | 96.8 | 0 | 0 | 0 | 112 | H101 C114 K115 E116 C125 Y126 | H101-L118 HydrophobicContact CB-CD1 4.01Å; H101-L118 HydrophobicContact CB-CD2 3.47Å; H101-L118 VanDerWaalsContact CB-CD2 3.47Å; H101-L118 HydrophobicContact CB-CG 4.34Å; C114-L118 HydrophobicContact CB-CB 4.29Å; K115-L118 HydrophobicContact CB-CD1 4.31Å; K115-L118 PolarHBondContact O-N 3.47Å; E116-L118 VanDerWaalsContact C-N 3.34Å; L118-C125 HydrophobicContact CB-CB 4.29Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; L118-Y126 CarbonylContact C-O 3.58Å; L118-Y126 WeakPolarHBondContact CA-O 3.31Å | ||
| 119 | Y | 88.5 | Confident | 89.4 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.6 | 178.4 | -56.1 | -91.7 | 0 | 0 | 0 | 111.6 | C125 Y126 A135 M140 C142 | Y119-C125 WeakPolarHBondContact O-CA 3.49Å; Y119-Y126 PolarHBondContact N-O 2.8Å; Y119-Y126 PolarHBondContact O-N 3.09Å; Y119-A135 HydrophobicContact CD1-CB 3.67Å; Y119-A135 HydrophobicContact CE1-CB 3.43Å; Y119-A135 VanDerWaalsContact CE1-CB 3.43Å; Y119-M140 CarbonylContact C-O 3.6Å; Y119-M140 WeakPolarHBondContact CA-O 3.44Å; Y119-C142 WeakPolarHBondContact CB-SG 3.26Å |
| 120 | L | 89.7 | Confident | 89.1 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.8 | 172.6 | -178 | 63.8 | 0 | 0 | 0 | 110.4 | C111 M140 C142 | C111-L120 HydrophobicContact CB-CD1 4.06Å; L120-M140 PolarHBondContact N-O 3.19Å; L120-C142 PolarHBondContact O-N 3.4Å |
| 121 | H | 88.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.2 | 172.2 | -178.7 | -132.2 | 0 | 0 | 0 | 109.9 | G123 R124 Y126 P130 C142 | H121-G123 PolarHBondContact O-N 3.12Å; H121-G123 VanDerWaalsContact O-N 3.09Å; H121-R124 PolarHBondContact N-O 3.32Å; H121-R124 PolarHBondContact O-N 2.8Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.93Å; H121-P130 VanDerWaalsContact ND1-CG 3.3Å; H121-P130 WeakPolarHBondContact ND1-CG 3.44Å; H121-C142 HydrophobicContact CB-CB 3.75Å; H121-C142 PolarHBondContact CD2-O 2.85Å |
| 122 | K | 86.8 | Confident | 87.4 | Confident | 168 Ų | 168 | 75.1 Ų | 75.1 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 38.6 | 175 | -64.1 | 171.9 | -176.8 | 164.6 | 0 | 113.9 | ||
| 123 | G | 88 | Confident | 86.6 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 10.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C111 H121 | C111-G123 VanDerWaalsContact CB-O 3.31Å; C111-G123 WeakPolarHBondContact CB-O 3.01Å; C111-G123 PolarHBondContact N-O 2.04Å; H121-G123 PolarHBondContact O-N 3.12Å; H121-G123 VanDerWaalsContact O-N 3.09Å |
| 124 | R | 90.7 | Very high | 85.9 | Confident | 120 Ų | 120 | 69.4 Ų | 69.4 | 45% | 0.453 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.3 | 173.3 | -68.9 | -172 | 179.1 | 107.7 | 1.1 | 111.8 | H121 Y126 | H121-R124 PolarHBondContact N-O 3.32Å; H121-R124 PolarHBondContact O-N 2.8Å; R124-Y126 HydrophobicContact CB-CD2 4.46Å; R124-Y126 HydrophobicContact CB-CE2 3.61Å |
| 125 | C | 91.9 | Very high | 85.2 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.8 | -177.9 | -56 | 0 | 0 | 0 | 0 | 110.9 | H101 C114 L118 Y119 | H101-C125 HydrophobicContact CB-CB 4.28Å; C114-C125 WeakPolarHBondContact CA-SG 3.36Å; C114-C125 HydrophobicContact CB-CB 3.84Å; C114-C125 WeakPolarHBondContact CB-SG 3.05Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 3.05Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 2.94Å; L118-C125 HydrophobicContact CB-CB 4.29Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; Y119-C125 WeakPolarHBondContact O-CA 3.49Å |
| 126 | Y | 89.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147 | -179.7 | -61.1 | -87 | 0 | 0 | 0 | 110.7 | L118 Y119 H121 R124 A128 | L118-Y126 CarbonylContact C-O 3.58Å; L118-Y126 WeakPolarHBondContact CA-O 3.31Å; Y119-Y126 PolarHBondContact N-O 2.8Å; Y119-Y126 PolarHBondContact O-N 3.09Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.93Å; R124-Y126 HydrophobicContact CB-CD2 4.46Å; R124-Y126 HydrophobicContact CB-CE2 3.61Å; Y126-A128 VanDerWaalsContact CB-O 3.24Å; Y126-A128 WeakPolarHBondContact CB-O 3.41Å; Y126-A128 PolarHBondContact O-N 3.06Å |
| 127 | P | 88.9 | Confident | 82.8 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 71% | 0.714 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -70.3 | -19.9 | 177.9 | 29.5 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 128 | A | 86.1 | Confident | 81.8 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -146.4 | 157.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y126 | Y126-A128 VanDerWaalsContact CB-O 3.24Å; Y126-A128 WeakPolarHBondContact CB-O 3.41Å; Y126-A128 PolarHBondContact O-N 3.06Å |
| 129 | C | 86.1 | Confident | 80.9 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | trans | -69.1 | 130.4 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | A135 C142 | C129-A135 PolarHBondContact SG-N 3.06Å; C129-A135 VanDerWaalsContact SG-N 3.39Å; C129-C142 WeakPolarHBondContact CA-SG 3.13Å; C129-C142 HydrophobicContact CB-CB 3.84Å; C129-C142 WeakPolarHBondContact CB-SG 3.13Å; C129-C142 VanDerWaalsContact SG-CA 3.57Å; C129-C142 WeakPolarHBondContact SG-CB 3.37Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.18Å | ||
| 130 | P | 84.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 31% | 0.305 | 43% | 0.425 | S | S | . | . | trans | -71.5 | 160.9 | 178.3 | 29.3 | -35.8 | 0 | 0 | 0 | 112.3 | H121 G132 S133 | H121-P130 VanDerWaalsContact ND1-CG 3.3Å; H121-P130 WeakPolarHBondContact ND1-CG 3.44Å; P130-G132 PolarHBondContact O-N 2.84Å; P130-S133 VanDerWaalsContact CD-OG 3.27Å; P130-S133 WeakPolarHBondContact CD-OG 3.05Å; P130-S133 PolarHBondContact O-N 3.27Å; P130-S133 PolarHBondContact O-OG 2.83Å | ||
| 131 | E | 77.3 | Confident | 80 | Confident | 195 Ų | 195 | 75.4 Ų | 75.4 | 91% | 0.911 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | 131.9 | 178.6 | -65.8 | -59.5 | 157 | 0 | 0 | 113.3 | ||
| 132 | G | 70.8 | Confident | 79.7 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 58% | 0.577 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 23.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P130 P145 | P130-G132 PolarHBondContact O-N 2.84Å; G132-P145 VanDerWaalsContact C-CD 3.41Å; G132-P145 WeakPolarHBondContact O-CD 3.36Å |
| 133 | S | 74.1 | Confident | 79 | Confident | 16 Ų | 16 | 70 Ų | 70 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | trans | -143.9 | 149.8 | 165.1 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | P130 S143 | P130-S133 VanDerWaalsContact CD-OG 3.27Å; P130-S133 WeakPolarHBondContact CD-OG 3.05Å; P130-S133 PolarHBondContact O-N 3.27Å; P130-S133 PolarHBondContact O-OG 2.83Å; S133-S143 CarbonylContact C-O 3.6Å; S133-S143 VanDerWaalsContact CA-O 3.24Å; S133-S143 WeakPolarHBondContact CA-O 3.46Å; S133-S143 VanDerWaalsContact CB-O 3.31Å; S133-S143 WeakPolarHBondContact CB-O 3.09Å | ||
| 134 | S | 74.8 | Confident | 77.9 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 30% | 0.301 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.4 | 179.9 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | S143 | S134-S143 PolarHBondContact N-O 2.81Å; S134-S143 PolarHBondContact O-N 2.99Å |
| 135 | A | 77 | Confident | 76.4 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 137.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y119 C129 | Y119-A135 HydrophobicContact CD1-CB 3.67Å; Y119-A135 HydrophobicContact CE1-CB 3.43Å; Y119-A135 VanDerWaalsContact CE1-CB 3.43Å; C129-A135 PolarHBondContact SG-N 3.06Å; C129-A135 VanDerWaalsContact SG-N 3.39Å |
| 136 | A | 68.8 | Low | 74.8 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | trans | -77.6 | 138.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | G138 T139 | A136-G138 PolarHBondContact O-N 3.43Å; A136-T139 PolarHBondContact O-N 2.04Å | ||
| 137 | N | 61.1 | Low | 73.2 | Confident | 161 Ų | 161 | 76.3 Ų | 76.3 | 86% | 0.861 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 100.7 | -178.1 | -73.7 | -30.1 | 0 | 0 | 0 | 110.6 | ||
| 138 | G | 65.1 | Low | 72.2 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 86% | 0.856 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.2 | -10.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | A136 | A136-G138 PolarHBondContact O-N 3.43Š|
| 139 | T | 69.2 | Low | 71.6 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | trans | -124.1 | 143.3 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | A136 E141 | A136-T139 PolarHBondContact O-N 2.04Å; T139-E141 PolarHBondContact O-N 3.16Å | ||
| 140 | M | 78.2 | Confident | 71.3 | Confident | 105 Ų | 105 | 75.8 Ų | 75.8 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -80.8 | 43.9 | 174.1 | -66 | -174.8 | 179 | 0 | 0 | 111.4 | Y119 L120 | Y119-M140 CarbonylContact C-O 3.6Å; Y119-M140 WeakPolarHBondContact CA-O 3.44Å; L120-M140 PolarHBondContact N-O 3.19Å |
| 141 | E | 81.4 | Confident | 71.3 | Confident | 107 Ų | 107 | 74.8 Ų | 74.8 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -129.5 | 122.5 | -176.4 | -65.3 | -173.5 | 177.9 | 0 | 0 | 110.7 | T139 S143 | T139-E141 PolarHBondContact O-N 3.16Å; E141-S143 PolarHBondContact O-N 3Å |
| 142 | C | 82.6 | Confident | 71.9 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 7% | 0.068 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 102.1 | 172.2 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | Y119 L120 H121 C129 | Y119-C142 WeakPolarHBondContact CB-SG 3.26Å; L120-C142 PolarHBondContact O-N 3.4Å; H121-C142 HydrophobicContact CB-CB 3.75Å; H121-C142 PolarHBondContact CD2-O 2.85Å; C129-C142 WeakPolarHBondContact CA-SG 3.13Å; C129-C142 HydrophobicContact CB-CB 3.84Å; C129-C142 WeakPolarHBondContact CB-SG 3.13Å; C129-C142 VanDerWaalsContact SG-CA 3.57Å; C129-C142 WeakPolarHBondContact SG-CB 3.37Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.18Å |
| 143 | S | 73.2 | Confident | 72.8 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 47% | 0.469 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 151.5 | 160.6 | -70.9 | 0 | 0 | 0 | 0 | 109.5 | S133 S134 E141 | S133-S143 CarbonylContact C-O 3.6Å; S133-S143 VanDerWaalsContact CA-O 3.24Å; S133-S143 WeakPolarHBondContact CA-O 3.46Å; S133-S143 VanDerWaalsContact CB-O 3.31Å; S133-S143 WeakPolarHBondContact CB-O 3.09Å; S134-S143 PolarHBondContact N-O 2.81Å; S134-S143 PolarHBondContact O-N 2.99Å; E141-S143 PolarHBondContact O-N 3Å |
| 144 | S | 64.3 | Low | 73.6 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 57% | 0.566 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 141.9 | 155.8 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | A146 | S144-A146 PolarHBondContact O-N 2.03Å; S144-A146 VanDerWaalsContact O-N 3.15Å |
| 145 | P | 59.9 | Low | 74.5 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 31% | 0.312 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 129.5 | 171.4 | 28.6 | -34.1 | 0 | 0 | 0 | 106.6 | G132 Q147 P183 | G132-P145 VanDerWaalsContact C-CD 3.41Å; G132-P145 WeakPolarHBondContact O-CD 3.36Å; P145-Q147 PolarHBondContact O-N 2.82Å; P145-P183 HydrophobicContact CB-CB 3.92Å |
| 146 | A | 56.7 | Low | 75.2 | Confident | 38 Ų | 38 | 80.9 Ų | 80.9 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | trans | -57.4 | 108.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | S144 C148 N181 P183 | S144-A146 PolarHBondContact O-N 2.03Å; S144-A146 VanDerWaalsContact O-N 3.15Å; A146-C148 PolarHBondContact O-N 3.13Å; A146-N181 HydrophobicContact CB-CB 4.1Å; A146-P183 WeakPolarHBondContact O-CD 3.42Å | ||
| 147 | Q | 56.3 | Low | 76.3 | Confident | 184 Ų | 184 | 79.6 Ų | 79.6 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | trans | -56.7 | 115.6 | 172.1 | -68.4 | -176.2 | -3.3 | 0 | 0 | 105.6 | P145 E149 | P145-Q147 PolarHBondContact O-N 2.82Å; Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-E149 WeakPolarHBondContact O-CA 3.4Å; Q147-E149 PolarHBondContact O-N 3.19Å | ||
| 148 | C | 69.6 | Low | 77.7 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | trans | -41 | 95.3 | -166.5 | -81 | 0 | 0 | 0 | 0 | 112.2 | A146 M150 N181 C190 | A146-C148 PolarHBondContact O-N 3.13Å; C148-M150 HydrophobicContact CB-CE 4.07Å; C148-M150 WeakPolarHBondContact O-CE 3.26Å; C148-M150 PolarHBondContact O-N 3.12Å; C148-N181 CarbonylContact C-O 3.57Å; C148-N181 WeakPolarHBondContact CA-O 3.03Å; C148-C190 HydrophobicContact CB-CB 3.62Å; C148-C190 WeakPolarHBondContact CB-SG 3.35Å; C148-C190 WeakPolarHBondContact SG-CA 3.44Å; C148-C190 WeakPolarHBondContact SG-CB 3.42Å; C148-C190 CovalentContact SG-SG 2.04Å; C148-C190 PolarHBondContact SG-SG 2.96Å | ||
| 149 | E | 72.2 | Confident | 79 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 109.7 | -169.1 | -166.5 | -176.2 | 166.2 | 0 | 0 | 105.4 | Q147 L180 N181 | Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-E149 WeakPolarHBondContact O-CA 3.4Å; Q147-E149 PolarHBondContact O-N 3.19Å; E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.48Å; E149-L180 PolarHBondContact O-N 2.78Å; E149-N181 HydrophobicContact CB-CB 3.9Å; E149-N181 PolarHBondContact N-O 2.82Å; E149-N181 PolarHBondContact O-N 3.02Å; E149-N181 PolarHBondContact OE2-ND2 2.75Å |
| 150 | M | 79.8 | Confident | 80.1 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.7 | -173.7 | -71.2 | 168.8 | -81.9 | 0 | 0 | 108.8 | C148 R177 V179 S191 | C148-M150 HydrophobicContact CB-CE 4.07Å; C148-M150 WeakPolarHBondContact O-CE 3.26Å; C148-M150 PolarHBondContact O-N 3.12Å; M150-R177 PolarHBondContact SD-NH1 3.17Å; M150-V179 HydrophobicContact CG-CG2 4.31Å; M150-S191 WeakPolarHBondContact CE-OG 3.28Å; M150-S191 PolarHBondContact SD-OG 2.91Å |
| 151 | S | 84.8 | Confident | 80.8 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 160.7 | 174.1 | 74.8 | 0 | 0 | 0 | 0 | 110.5 | R178 | S151-R178 PolarHBondContact N-O 3.38Å; S151-R178 PolarHBondContact OG-N 2.86Å; S151-R178 PolarHBondContact OG-O 2.87Å |
| 152 | E | 89.6 | Confident | 81 | Confident | 183 Ų | 183 | 76.1 Ų | 76.1 | 86% | 0.855 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 148.3 | 158.1 | -61.9 | -165.4 | 132.1 | 0 | 0 | 110.5 | ||
| 153 | W | 90.6 | Very high | 81.1 | Confident | 68 Ų | 68 | 85.6 Ų | 85.6 | 26% | 0.258 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -69 | 142.4 | 174.4 | -78.3 | 106 | 0 | 0 | 0 | 110.7 | R175 R177 D192 E195 | W153-R175 HydrophobicContact CD2-CG 4.19Å; W153-R175 HydrophobicContact CE3-CB 4.36Å; W153-R175 HydrophobicContact CE3-CG 3.6Å; W153-R175 VanDerWaalsContact CG-CZ 3.45Å; W153-R175 HydrophobicContact CZ3-CG 3.97Å; W153-R177 HydrophobicContact CD2-CB 4.08Å; W153-R177 HydrophobicContact CD2-CG 4.08Å; W153-R177 HydrophobicContact CE3-CB 3.77Å; W153-R177 HydrophobicContact CE3-CG 3.78Å; W153-R177 HydrophobicContact CH2-CG 3.89Å; W153-R177 HydrophobicContact CZ2-CG 4.19Å; W153-R177 HydrophobicContact CZ3-CB 4.13Å; W153-R177 HydrophobicContact CZ3-CG 3.68Å; W153-D192 WeakPolarHBondContact CH2-O 3.5Å; W153-E195 HydrophobicContact CH2-CB 3.64Å; W153-E195 HydrophobicContact CZ2-CB 4.2Å; W153-E195 HydrophobicContact CZ3-CB 3.94Å |
| 154 | S | 91.2 | Very high | 81.7 | Confident | 39 Ų | 39 | 88 Ų | 88 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 153.9 | 164 | 79.7 | 0 | 0 | 0 | 0 | 110.6 | R175 T176 | S154-R175 WeakPolarHBondContact OG-CA 3.46Å; S154-R175 WeakPolarHBondContact OG-CB 3.34Å; S154-T176 WeakPolarHBondContact CB-O 3.02Å; S154-T176 PolarHBondContact N-O 2.92Å; S154-T176 PolarHBondContact OG-N 2.9Å; S154-T176 PolarHBondContact OG-O 2.87Å |
| 155 | P | 92.7 | Very high | 82.9 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 77% | 0.766 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 151.4 | 158.4 | -25.4 | 35.1 | 0 | 0 | 0 | 110.9 | G157 | P155-G157 PolarHBondContact O-N 2.85Š|
| 156 | W | 92.8 | Very high | 84.2 | Confident | 65 Ų | 65 | 88.7 Ų | 88.7 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 127.1 | 175.7 | -74.2 | 100.7 | 0 | 0 | 0 | 110.7 | E173 R175 E195 R197 | W156-E173 HydrophobicContact CD2-CG 4.23Å; W156-E173 HydrophobicContact CE3-CB 4.15Å; W156-E173 HydrophobicContact CE3-CG 3.62Å; W156-E173 HydrophobicContact CZ3-CG 4.05Å; W156-R175 HydrophobicContact CD2-CB 4.13Å; W156-R175 HydrophobicContact CD2-CG 4.07Å; W156-R175 HydrophobicContact CE3-CB 3.79Å; W156-R175 HydrophobicContact CE3-CG 3.77Å; W156-R175 HydrophobicContact CH2-CG 3.72Å; W156-R175 HydrophobicContact CZ2-CG 4Å; W156-R175 VanDerWaalsContact CZ2-NE 3.32Å; W156-R175 HydrophobicContact CZ3-CB 4.07Å; W156-R175 HydrophobicContact CZ3-CG 3.59Å; W156-E195 HydrophobicContact CH2-CB 4.19Å; W156-E195 HydrophobicContact CH2-CG 3.88Å; W156-E195 WeakPolarHBondContact CH2-OE1 3.45Å; W156-R197 HydrophobicContact CE3-CB 4.3Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.5Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.6Å |
| 157 | G | 91.1 | Very high | 85.7 | Confident | 25 Ų | 25 | 88.2 Ų | 88.2 | 26% | 0.258 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 159.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P155 C159 E173 E174 | P155-G157 PolarHBondContact O-N 2.85Å; G157-C159 PolarHBondContact O-N 2.97Å; G157-E173 WeakPolarHBondContact O-CB 3.27Å; G157-E174 PolarHBondContact N-O 2.84Å |
| 158 | P | 90.8 | Very high | 87.3 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 135.7 | -176.4 | 26.6 | -35.5 | 0 | 0 | 0 | 111.6 | S160 L165 | P158-S160 PolarHBondContact O-N 2.92Å; P158-L165 HydrophobicContact CB-CD2 4Å; P158-L165 HydrophobicContact CG-CD2 4.05Å |
| 159 | C | 92.8 | Very high | 88.2 | Confident | 24 Ų | 24 | 87.4 Ų | 87.4 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 122.2 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | G157 F168 C199 V201 | G157-C159 PolarHBondContact O-N 2.97Å; C159-F168 WeakPolarHBondContact O-CZ 3.45Å; C159-C199 WeakPolarHBondContact CA-SG 3.01Å; C159-C199 HydrophobicContact CB-CB 3.72Å; C159-C199 WeakPolarHBondContact CB-SG 3.17Å; C159-C199 WeakPolarHBondContact SG-CB 3.05Å; C159-C199 CovalentContact SG-SG 2.02Å; C159-C199 PolarHBondContact SG-SG 2.91Å; C159-V201 HydrophobicContact CB-CG1 3.81Å |
| 160 | S | 92.4 | Very high | 89.2 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 21% | 0.21 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -134.3 | 163.7 | -172.6 | 79.2 | 0 | 0 | 0 | 0 | 112.9 | P158 K164 G171 S172 | P158-S160 PolarHBondContact O-N 2.92Å; S160-K164 CarbonylContact C-O 3.5Å; S160-K164 VanDerWaalsContact CA-O 3.27Å; S160-K164 WeakPolarHBondContact CA-O 2.97Å; S160-K164 WeakPolarHBondContact CB-O 3.44Å; S160-G171 CarbonylContact O-C 3.43Å; S160-G171 WeakPolarHBondContact O-CA 3.48Å; S160-S172 PolarHBondContact N-O 2.86Å; S160-S172 PolarHBondContact O-N 2.92Å; S160-S172 PolarHBondContact OG-O 2.86Å |
| 161 | K | 91.9 | Very high | 89.8 | Confident | 109 Ų | 109 | 89.5 Ų | 89.5 | 47% | 0.474 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -141.4 | 120.2 | 168.5 | -167.9 | 176.4 | -164.6 | 160.1 | 0 | 110.6 | K163 K164 F168 R170 | K161-K163 VanDerWaalsContact C-N 3.29Å; K161-K163 PolarHBondContact O-N 2.85Å; K161-K164 PolarHBondContact N-O 2.88Å; K161-K164 PolarHBondContact O-N 2.82Å; K161-F168 HydrophobicContact CB-CB 4.2Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 4.06Å; K161-F168 HydrophobicContact CB-CE1 3.93Å; K161-F168 HydrophobicContact CB-CE2 4.39Å; K161-F168 HydrophobicContact CB-CG 3.64Å; K161-F168 HydrophobicContact CB-CZ 4.35Å; K161-F168 HydrophobicContact CD-CB 3.78Å; K161-F168 HydrophobicContact CD-CG 4.13Å; K161-R170 WeakPolarHBondContact CD-O 3.39Å |
| 162 | K | 86.6 | Confident | 90.2 | Very high | 197 Ų | 197 | 90.5 Ų | 90.5 | 86% | 0.857 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 49.8 | -174.3 | -61.1 | -168.3 | 174.2 | -164.5 | 0 | 111.9 | K164 | K162-K164 PolarHBondContact O-N 3.48Å; K162-K164 VanDerWaalsContact O-N 3.13Å |
| 163 | K | 83.9 | Confident | 90.4 | Very high | 210 Ų | 210 | 83 Ų | 83 | 91% | 0.913 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 12.5 | -175.3 | -55.1 | -172.9 | 178.1 | -173.8 | 0 | 116.1 | K161 | K161-K163 VanDerWaalsContact C-N 3.29Å; K161-K163 PolarHBondContact O-N 2.85Å |
| 164 | K | 86.1 | Confident | 90.6 | Very high | 116 Ų | 116 | 84 Ų | 84 | 50% | 0.504 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -100 | 147.6 | 170.5 | -54.1 | -157.9 | 174.7 | -158 | 0 | 110.7 | S160 K161 K162 F168 | S160-K164 CarbonylContact C-O 3.5Å; S160-K164 VanDerWaalsContact CA-O 3.27Å; S160-K164 WeakPolarHBondContact CA-O 2.97Å; S160-K164 WeakPolarHBondContact CB-O 3.44Å; K161-K164 PolarHBondContact N-O 2.88Å; K161-K164 PolarHBondContact O-N 2.82Å; K162-K164 PolarHBondContact O-N 3.48Å; K162-K164 VanDerWaalsContact O-N 3.13Å; K164-F168 WeakPolarHBondContact O-CE1 3.34Å |
| 165 | L | 88.9 | Confident | 90.7 | Very high | 112 Ų | 112 | 84.7 Ų | 84.7 | 59% | 0.586 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -101.9 | -1.9 | 175.5 | -60.1 | -179.8 | 0 | 0 | 0 | 113.5 | P158 F168 | P158-L165 HydrophobicContact CB-CD2 4Å; P158-L165 HydrophobicContact CG-CD2 4.05Å; L165-F168 VanDerWaalsContact C-CE1 3.47Å |
| 166 | C | 87.7 | Confident | 90.6 | Very high | 33 Ų | 33 | 82.2 Ų | 82.2 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -129.4 | 162.2 | -174 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | F168 C206 | C166-F168 VanDerWaalsContact O-CD1 3.26Å; C166-F168 WeakPolarHBondContact O-CD1 3.24Å; C166-F168 PolarHBondContact O-N 2.97Å; C166-C206 HydrophobicContact CB-CB 3.93Å; C166-C206 WeakPolarHBondContact CB-SG 3.45Å; C166-C206 PolarHBondContact O-SG 2.88Å; C166-C206 WeakPolarHBondContact SG-CA 3.46Å; C166-C206 WeakPolarHBondContact SG-CB 3.43Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 3.09Å |
| 167 | G | 87.3 | Confident | 90.6 | Very high | 28 Ų | 28 | 81.3 Ų | 81.3 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 86.4 | -9.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117 | R203 V204 | G167-R203 PolarHBondContact O-NE 3.44Å; G167-V204 WeakPolarHBondContact CA-O 3.31Å; G167-V204 PolarHBondContact N-O 3.01Å |
| 168 | F | 89.7 | Confident | 90.3 | Very high | 20 Ų | 20 | 88.5 Ų | 88.5 | 9% | 0.088 | 42% | 0.417 | C | S | . | . | trans | -114.3 | 166.7 | 179.8 | 61 | -87.4 | 0 | 0 | 0 | 113.1 | C159 K161 K164 L165 C166 V201 R203 | C159-F168 WeakPolarHBondContact O-CZ 3.45Å; K161-F168 HydrophobicContact CB-CB 4.2Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 4.06Å; K161-F168 HydrophobicContact CB-CE1 3.93Å; K161-F168 HydrophobicContact CB-CE2 4.39Å; K161-F168 HydrophobicContact CB-CG 3.64Å; K161-F168 HydrophobicContact CB-CZ 4.35Å; K161-F168 HydrophobicContact CD-CB 3.78Å; K161-F168 HydrophobicContact CD-CG 4.13Å; K164-F168 WeakPolarHBondContact O-CE1 3.34Å; L165-F168 VanDerWaalsContact C-CE1 3.47Å; C166-F168 VanDerWaalsContact O-CD1 3.26Å; C166-F168 WeakPolarHBondContact O-CD1 3.24Å; C166-F168 PolarHBondContact O-N 2.97Å; F168-V201 HydrophobicContact CD2-CG2 3.92Å; F168-V201 HydrophobicContact CE2-CG2 3.49Å; F168-V201 VanDerWaalsContact CE2-CG2 3.49Å; F168-V201 HydrophobicContact CZ-CG2 4.24Å; F168-R203 WeakPolarHBondContact O-CA 3.43Å | ||
| 169 | R | 89.5 | Confident | 90 | Very high | 181 Ų | 181 | 85 Ų | 85 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -108.8 | -27.7 | 172.1 | -176.5 | 176.5 | 177.7 | -178.3 | 0.5 | 113.5 | T200 V201 | R169-T200 HydrophobicContact CG-CG2 4.34Å; R169-T200 CarbonylContact O-C 3.57Å; R169-T200 VanDerWaalsContact O-CA 3.31Å; R169-T200 WeakPolarHBondContact O-CA 3.43Å; R169-T200 WeakPolarHBondContact O-CG2 3.31Å; R169-V201 PolarHBondContact O-N 2.82Å |
| 170 | R | 92.3 | Very high | 89.2 | Confident | 186 Ų | 186 | 87.4 Ų | 87.4 | 70% | 0.702 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.5 | 176.9 | -65.3 | -179 | -178.3 | 164 | -0.3 | 109.6 | K161 C199 | K161-R170 WeakPolarHBondContact CD-O 3.39Å; R170-C199 WeakPolarHBondContact CA-O 3.07Å |
| 171 | G | 93.3 | Very high | 88.1 | Confident | 15 Ų | 15 | 89.9 Ų | 89.9 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | -162.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | S160 C199 | S160-G171 CarbonylContact O-C 3.43Å; S160-G171 WeakPolarHBondContact O-CA 3.48Å; G171-C199 PolarHBondContact N-O 2.77Å; G171-C199 PolarHBondContact O-N 2.91Å; G171-C199 VanDerWaalsContact O-N 3.07Å |
| 172 | S | 94.2 | Very high | 86.8 | Confident | 48 Ų | 48 | 85.6 Ų | 85.6 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145 | 173 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | S160 R197 C199 | S160-S172 PolarHBondContact N-O 2.86Å; S160-S172 PolarHBondContact O-N 2.92Å; S160-S172 PolarHBondContact OG-O 2.86Å; S172-R197 VanDerWaalsContact CA-O 3.25Å; S172-R197 WeakPolarHBondContact CA-O 3.48Å; S172-C199 PolarHBondContact N-SG 2.99Å; S172-C199 VanDerWaalsContact N-SG 3.39Å |
| 173 | E | 93.8 | Very high | 85.7 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 11% | 0.112 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.8 | 172.2 | 57.3 | -163.7 | 137 | 0 | 0 | 107.6 | W156 G157 T196 R197 C199 | W156-E173 HydrophobicContact CD2-CG 4.23Å; W156-E173 HydrophobicContact CE3-CB 4.15Å; W156-E173 HydrophobicContact CE3-CG 3.62Å; W156-E173 HydrophobicContact CZ3-CG 4.05Å; G157-E173 WeakPolarHBondContact O-CB 3.27Å; E173-T196 CarbonylContact O-C 3.5Å; E173-T196 WeakPolarHBondContact O-CA 3.48Å; E173-R197 VanDerWaalsContact CD-NE 3.28Å; E173-R197 VanDerWaalsContact CD-NH2 3.25Å; E173-R197 HydrophobicContact CG-CB 3.75Å; E173-R197 PolarHBondContact N-O 3.11Å; E173-R197 PolarHBondContact O-N 3.32Å; E173-R197 IonicContact OE1-CZ 2.75Å; E173-R197 IonicContact OE1-NE 2.62Å; E173-R197 PolarHBondContact OE1-NE 2.88Å; E173-R197 IonicContact OE1-NH2 2.67Å; E173-R197 PolarHBondContact OE1-NH2 2.03Å; E173-R197 IonicContact OE2-CZ 2.82Å; E173-R197 IonicContact OE2-NE 3.15Å; E173-R197 IonicContact OE2-NH2 2.66Å; E173-R197 PolarHBondContact OE2-NH2 3.2Å; E173-C199 HydrophobicContact CG-CB 4.32Å; E173-C199 WeakPolarHBondContact OE1-CB 3.4Å |
| 174 | E | 93.3 | Very high | 84.6 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 141.7 | -179.2 | -171 | 179.3 | 163.8 | 0 | 0 | 108.6 | G157 K194 E195 | G157-E174 PolarHBondContact N-O 2.84Å; E174-K194 IonicContact OE1-NZ 2.65Å; E174-K194 PolarHBondContact OE1-NZ 2.82Å; E174-E195 WeakPolarHBondContact CA-O 3Å |
| 175 | R | 94.1 | Very high | 83.3 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155.4 | 167.4 | 68.1 | 173.6 | -177.1 | 170.9 | -3.7 | 110.5 | W153 S154 W156 E195 | W153-R175 HydrophobicContact CD2-CG 4.19Å; W153-R175 HydrophobicContact CE3-CB 4.36Å; W153-R175 HydrophobicContact CE3-CG 3.6Å; W153-R175 VanDerWaalsContact CG-CZ 3.45Å; W153-R175 HydrophobicContact CZ3-CG 3.97Å; S154-R175 WeakPolarHBondContact OG-CA 3.46Å; S154-R175 WeakPolarHBondContact OG-CB 3.34Å; W156-R175 HydrophobicContact CD2-CB 4.13Å; W156-R175 HydrophobicContact CD2-CG 4.07Å; W156-R175 HydrophobicContact CE3-CB 3.79Å; W156-R175 HydrophobicContact CE3-CG 3.77Å; W156-R175 HydrophobicContact CH2-CG 3.72Å; W156-R175 HydrophobicContact CZ2-CG 4Å; W156-R175 VanDerWaalsContact CZ2-NE 3.32Å; W156-R175 HydrophobicContact CZ3-CB 4.07Å; W156-R175 HydrophobicContact CZ3-CG 3.59Å; R175-E195 HydrophobicContact CG-CB 3.93Å; R175-E195 IonicContact CZ-OE2 3.27Å; R175-E195 PolarHBondContact N-O 3.13Å; R175-E195 IonicContact NE-OE2 3.58Å; R175-E195 PolarHBondContact NE-OE2 3.31Å; R175-E195 IonicContact NH2-OE1 2.72Å; R175-E195 IonicContact NH2-OE2 2.74Å; R175-E195 PolarHBondContact NH2-OE2 3.11Å; R175-E195 PolarHBondContact O-N 2.67Å |
| 176 | T | 91.4 | Very high | 82.1 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.1 | -177.4 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | S154 T193 K194 | S154-T176 WeakPolarHBondContact CB-O 3.02Å; S154-T176 PolarHBondContact N-O 2.92Å; S154-T176 PolarHBondContact OG-N 2.9Å; S154-T176 PolarHBondContact OG-O 2.87Å; T176-T193 CarbonylContact C-O 3.57Å; T176-T193 VanDerWaalsContact CA-O 3.29Å; T176-T193 WeakPolarHBondContact CA-O 3.42Å; T176-K194 HydrophobicContact CG2-CG 4.04Å |
| 177 | R | 90.9 | Very high | 81 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 18% | 0.177 | 37% | 0.37 | C | S | . | . | trans | -138.3 | 155.9 | 168.2 | 63.4 | -177.2 | 170.6 | 165.7 | -0.7 | 108.7 | M150 W153 S191 D192 T193 | M150-R177 PolarHBondContact SD-NH1 3.17Å; W153-R177 HydrophobicContact CD2-CB 4.08Å; W153-R177 HydrophobicContact CD2-CG 4.08Å; W153-R177 HydrophobicContact CE3-CB 3.77Å; W153-R177 HydrophobicContact CE3-CG 3.78Å; W153-R177 HydrophobicContact CH2-CG 3.89Å; W153-R177 HydrophobicContact CZ2-CG 4.19Å; W153-R177 HydrophobicContact CZ3-CB 4.13Å; W153-R177 HydrophobicContact CZ3-CG 3.68Å; R177-S191 PolarHBondContact NH2-O 3.23Å; R177-S191 PolarHBondContact NH2-OG 3.13Å; R177-D192 VanDerWaalsContact CZ-O 3.29Å; R177-D192 PolarHBondContact NE-O 3.46Å; R177-D192 PolarHBondContact NH2-O 3.18Å; R177-T193 PolarHBondContact N-O 3.18Å; R177-T193 WeakPolarHBondContact O-CB 3.4Å | ||
| 178 | R | 86.5 | Confident | 80 | Confident | 176 Ų | 176 | 74.8 Ų | 74.8 | 66% | 0.664 | 40% | 0.396 | S | S | * | . | trans | -103.7 | 149.4 | 173 | 61.4 | -179.1 | -178.9 | -143 | -1 | 110 | S151 L180 | S151-R178 PolarHBondContact N-O 3.38Å; S151-R178 PolarHBondContact OG-N 2.86Å; S151-R178 PolarHBondContact OG-O 2.87Å; R178-L180 HydrophobicContact CG-CD2 3.97Å | ||
| 179 | V | 84.2 | Confident | 78.7 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.8 | 162.3 | -175.4 | 0 | 0 | 0 | 0 | 107 | M150 N181 A182 C190 T193 | M150-V179 HydrophobicContact CG-CG2 4.31Å; V179-N181 VanDerWaalsContact CG1-O 3.29Å; V179-N181 WeakPolarHBondContact CG1-O 3.49Å; V179-A182 HydrophobicContact CG1-CB 3.97Å; V179-C190 HydrophobicContact CG1-CB 4.33Å; V179-C190 HydrophobicContact CG2-CB 3.74Å; V179-T193 HydrophobicContact CG2-CG2 4.11Å |
| 180 | L | 76.4 | Confident | 77.8 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -52.3 | 173.8 | -57.4 | 175.5 | 0 | 0 | 0 | 109.5 | E149 R178 | E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.48Å; E149-L180 PolarHBondContact O-N 2.78Å; R178-L180 HydrophobicContact CG-CD2 3.97Å |
| 181 | N | 69.3 | Low | 77 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.3 | 175.6 | -67.6 | -54.5 | 0 | 0 | 0 | 110.8 | A146 C148 E149 V179 | A146-N181 HydrophobicContact CB-CB 4.1Å; C148-N181 CarbonylContact C-O 3.57Å; C148-N181 WeakPolarHBondContact CA-O 3.03Å; E149-N181 HydrophobicContact CB-CB 3.9Å; E149-N181 PolarHBondContact N-O 2.82Å; E149-N181 PolarHBondContact O-N 3.02Å; E149-N181 PolarHBondContact OE2-ND2 2.75Å; V179-N181 VanDerWaalsContact CG1-O 3.29Å; V179-N181 WeakPolarHBondContact CG1-O 3.49Å |
| 182 | A | 63.4 | Low | 76.2 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | trans | -125.2 | 139.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V179 G185 | V179-A182 HydrophobicContact CG1-CB 3.97Å; A182-G185 PolarHBondContact O-N 3.41Å | ||
| 183 | P | 62.8 | Low | 75.8 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -68 | 136.4 | 173.7 | 30.5 | -31.9 | 0 | 0 | 0 | 109.6 | P145 A146 G185 D186 | P145-P183 HydrophobicContact CB-CB 3.92Å; A146-P183 WeakPolarHBondContact O-CD 3.42Å; P183-G185 PolarHBondContact O-N 3.28Å; P183-D186 PolarHBondContact O-N 2.04Å |
| 184 | G | 61.9 | Low | 75.6 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | 67.7 | -7.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | D186 | G184-D186 VanDerWaalsContact C-N 3.31Š|
| 185 | G | 59 | Low | 75.6 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | 87.8 | -7.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A182 P183 H187 | A182-G185 PolarHBondContact O-N 3.41Å; P183-G185 PolarHBondContact O-N 3.28Å; G185-H187 PolarHBondContact O-CD2 2.8Å; G185-H187 PolarHBondContact O-N 3.34Å |
| 186 | D | 63 | Low | 75.5 | Confident | 115 Ų | 115 | 75.1 Ų | 75.1 | 62% | 0.615 | 44% | 0.441 | S | S | * | . | trans | -79.3 | 83.3 | -176.9 | -76.9 | -43.1 | 0 | 0 | 0 | 111.6 | P183 G184 A188 A189 | P183-D186 PolarHBondContact O-N 2.04Å; G184-D186 VanDerWaalsContact C-N 3.31Å; D186-A188 PolarHBondContact O-N 2.03Å; D186-A189 WeakPolarHBondContact O-CB 3.48Å; D186-A189 PolarHBondContact O-N 3.21Å | ||
| 187 | H | 64.8 | Low | 75.7 | Confident | 112 Ų | 112 | 77.4 Ų | 77.4 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -54.6 | -19.2 | 176.5 | -65.5 | -76.6 | 0 | 0 | 0 | 114.4 | G185 A189 C190 | G185-H187 PolarHBondContact O-CD2 2.8Å; G185-H187 PolarHBondContact O-N 3.34Å; H187-A189 VanDerWaalsContact C-N 3.34Å; H187-C190 PolarHBondContact O-N 2.96Å |
| 188 | A | 65.7 | Low | 75.8 | Confident | 103 Ų | 103 | 86.4 Ų | 86.4 | 85% | 0.851 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -74.5 | -17.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D186 C190 | D186-A188 PolarHBondContact O-N 2.03Å; A188-C190 PolarHBondContact O-N 3.12Å |
| 189 | A | 63.4 | Low | 76.1 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 60% | 0.603 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -76.4 | -11.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D186 H187 | D186-A189 WeakPolarHBondContact O-CB 3.48Å; D186-A189 PolarHBondContact O-N 3.21Å; H187-A189 VanDerWaalsContact C-N 3.34Å |
| 190 | C | 71.1 | Confident | 76.5 | Confident | 15 Ų | 15 | 82.4 Ų | 82.4 | 10% | 0.101 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -93.8 | 144.4 | -178.9 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | C148 V179 H187 A188 | C148-C190 HydrophobicContact CB-CB 3.62Å; C148-C190 WeakPolarHBondContact CB-SG 3.35Å; C148-C190 WeakPolarHBondContact SG-CA 3.44Å; C148-C190 WeakPolarHBondContact SG-CB 3.42Å; C148-C190 CovalentContact SG-SG 2.04Å; C148-C190 PolarHBondContact SG-SG 2.96Å; V179-C190 HydrophobicContact CG1-CB 4.33Å; V179-C190 HydrophobicContact CG2-CB 3.74Å; H187-C190 PolarHBondContact O-N 2.96Å; A188-C190 PolarHBondContact O-N 3.12Å |
| 191 | S | 74.3 | Confident | 77.2 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | trans | -63.1 | 156 | -175.1 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | M150 R177 T193 | M150-S191 WeakPolarHBondContact CE-OG 3.28Å; M150-S191 PolarHBondContact SD-OG 2.91Å; R177-S191 PolarHBondContact NH2-O 3.23Å; R177-S191 PolarHBondContact NH2-OG 3.13Å; S191-T193 PolarHBondContact O-N 2.84Å | ||
| 192 | D | 77.5 | Confident | 78.1 | Confident | 126 Ų | 126 | 88.5 Ų | 88.5 | 67% | 0.674 | 49% | 0.49 | S | S | * | . | trans | -30.5 | 121.2 | -171 | -64.4 | -54.4 | 0 | 0 | 0 | 116.3 | W153 R177 K194 | W153-D192 WeakPolarHBondContact CH2-O 3.5Å; R177-D192 VanDerWaalsContact CZ-O 3.29Å; R177-D192 PolarHBondContact NE-O 3.46Å; R177-D192 PolarHBondContact NH2-O 3.18Å; D192-K194 VanDerWaalsContact C-N 3.27Å | ||
| 193 | T | 85.3 | Confident | 79.2 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -80.3 | -7.1 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | T176 R177 V179 S191 | T176-T193 CarbonylContact C-O 3.57Å; T176-T193 VanDerWaalsContact CA-O 3.29Å; T176-T193 WeakPolarHBondContact CA-O 3.42Å; R177-T193 PolarHBondContact N-O 3.18Å; R177-T193 WeakPolarHBondContact O-CB 3.4Å; V179-T193 HydrophobicContact CG2-CG2 4.11Å; S191-T193 PolarHBondContact O-N 2.84Å |
| 194 | K | 89.6 | Confident | 80.3 | Confident | 123 Ų | 123 | 99.5 Ų | 99.5 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130.8 | -176 | -76.1 | 170.3 | 163.1 | -86.8 | 0 | 110.1 | E174 T176 D192 | E174-K194 IonicContact OE1-NZ 2.65Å; E174-K194 PolarHBondContact OE1-NZ 2.82Å; T176-K194 HydrophobicContact CG2-CG 4.04Å; D192-K194 VanDerWaalsContact C-N 3.27Å |
| 195 | E | 92.9 | Very high | 81.4 | Confident | 69 Ų | 69 | 102 Ų | 102 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.1 | 173.8 | -167 | -168.1 | 147.3 | 0 | 0 | 110.2 | W153 W156 E174 R175 | W153-E195 HydrophobicContact CH2-CB 3.64Å; W153-E195 HydrophobicContact CZ2-CB 4.2Å; W153-E195 HydrophobicContact CZ3-CB 3.94Å; W156-E195 HydrophobicContact CH2-CB 4.19Å; W156-E195 HydrophobicContact CH2-CG 3.88Å; W156-E195 WeakPolarHBondContact CH2-OE1 3.45Å; E174-E195 WeakPolarHBondContact CA-O 3Å; R175-E195 HydrophobicContact CG-CB 3.93Å; R175-E195 IonicContact CZ-OE2 3.27Å; R175-E195 PolarHBondContact N-O 3.13Å; R175-E195 IonicContact NE-OE2 3.58Å; R175-E195 PolarHBondContact NE-OE2 3.31Å; R175-E195 IonicContact NH2-OE1 2.72Å; R175-E195 IonicContact NH2-OE2 2.74Å; R175-E195 PolarHBondContact NH2-OE2 3.11Å; R175-E195 PolarHBondContact O-N 2.67Å |
| 196 | T | 92.9 | Very high | 82.5 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 114.8 | -180 | -61 | 0 | 0 | 0 | 0 | 110.8 | E173 | E173-T196 CarbonylContact O-C 3.5Å; E173-T196 WeakPolarHBondContact O-CA 3.48Å |
| 197 | R | 94.3 | Very high | 83.4 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 43% | 0.426 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 156.1 | 177.4 | -172.2 | 174.5 | 71.3 | -168.9 | -5.7 | 111 | W156 S172 E173 | W156-R197 HydrophobicContact CE3-CB 4.3Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.5Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.6Å; S172-R197 VanDerWaalsContact CA-O 3.25Å; S172-R197 WeakPolarHBondContact CA-O 3.48Å; E173-R197 VanDerWaalsContact CD-NE 3.28Å; E173-R197 VanDerWaalsContact CD-NH2 3.25Å; E173-R197 HydrophobicContact CG-CB 3.75Å; E173-R197 PolarHBondContact N-O 3.11Å; E173-R197 PolarHBondContact O-N 3.32Å; E173-R197 IonicContact OE1-CZ 2.75Å; E173-R197 IonicContact OE1-NE 2.62Å; E173-R197 PolarHBondContact OE1-NE 2.88Å; E173-R197 IonicContact OE1-NH2 2.67Å; E173-R197 PolarHBondContact OE1-NH2 2.03Å; E173-R197 IonicContact OE2-CZ 2.82Å; E173-R197 IonicContact OE2-NE 3.15Å; E173-R197 IonicContact OE2-NH2 2.66Å; E173-R197 PolarHBondContact OE2-NH2 3.2Å |
| 198 | R | 94.4 | Very high | 83.4 | Confident | 237 Ų | 237 | 104.4 Ų | 104.4 | 89% | 0.894 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.7 | 177.6 | -63.1 | -179 | -174.6 | 177.5 | 3.5 | 110 | ||
| 199 | C | 92.3 | Very high | 83.3 | Confident | 13 Ų | 13 | 102.4 Ų | 102.4 | 9% | 0.088 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 151.5 | -176.3 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | C159 R170 G171 S172 E173 | C159-C199 WeakPolarHBondContact CA-SG 3.01Å; C159-C199 HydrophobicContact CB-CB 3.72Å; C159-C199 WeakPolarHBondContact CB-SG 3.17Å; C159-C199 WeakPolarHBondContact SG-CB 3.05Å; C159-C199 CovalentContact SG-SG 2.02Å; C159-C199 PolarHBondContact SG-SG 2.91Å; R170-C199 WeakPolarHBondContact CA-O 3.07Å; G171-C199 PolarHBondContact N-O 2.77Å; G171-C199 PolarHBondContact O-N 2.91Å; G171-C199 VanDerWaalsContact O-N 3.07Å; S172-C199 PolarHBondContact N-SG 2.99Å; S172-C199 VanDerWaalsContact N-SG 3.39Å; E173-C199 HydrophobicContact CG-CB 4.32Å; E173-C199 WeakPolarHBondContact OE1-CB 3.4Å |
| 200 | T | 93.2 | Very high | 82.8 | Confident | 98 Ų | 98 | 107.1 Ų | 107.1 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.5 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | R169 | R169-T200 HydrophobicContact CG-CG2 4.34Å; R169-T200 CarbonylContact O-C 3.57Å; R169-T200 VanDerWaalsContact O-CA 3.31Å; R169-T200 WeakPolarHBondContact O-CA 3.43Å; R169-T200 WeakPolarHBondContact O-CG2 3.31Å |
| 201 | V | 91.1 | Very high | 81.9 | Confident | 54 Ų | 54 | 114.1 Ų | 114.1 | 33% | 0.327 | 58% | 0.577 | S | S | . | * | trans | -131 | 161.2 | -173.9 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | C159 F168 R169 | C159-V201 HydrophobicContact CB-CG1 3.81Å; F168-V201 HydrophobicContact CD2-CG2 3.92Å; F168-V201 HydrophobicContact CE2-CG2 3.49Å; F168-V201 VanDerWaalsContact CE2-CG2 3.49Å; F168-V201 HydrophobicContact CZ-CG2 4.24Å; R169-V201 PolarHBondContact O-N 2.82Å | ||
| 202 | R | 87.4 | Confident | 80.6 | Confident | 232 Ų | 232 | 122.9 Ų | 122.9 | 88% | 0.875 | 60% | 0.6 | S | S | * | * | trans | -65.5 | 138 | 166.9 | -71.9 | -175 | 171.9 | -164.4 | -2.3 | 109.1 | V204 | R202-V204 PolarHBondContact O-N 3.14Š| ||
| 203 | R | 86 | Confident | 79.3 | Confident | 190 Ų | 190 | 128.5 Ų | 128.5 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | trans | -78.9 | 82.2 | -175.7 | -172.2 | -167.9 | -178.9 | -148.4 | -3.7 | 110.9 | G167 F168 | G167-R203 PolarHBondContact O-NE 3.44Å; F168-R203 WeakPolarHBondContact O-CA 3.43Å | ||
| 204 | V | 86.4 | Confident | 77.4 | Confident | 94 Ų | 94 | 135.6 Ų | 135.6 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.6 | 171.2 | -169 | 0 | 0 | 0 | 0 | 109.3 | G167 R202 | G167-V204 WeakPolarHBondContact CA-O 3.31Å; G167-V204 PolarHBondContact N-O 3.01Å; R202-V204 PolarHBondContact O-N 3.14Å |
| 205 | P | 83.8 | Confident | 75 | Confident | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 149.5 | 168.8 | -24.1 | 34.9 | 0 | 0 | 0 | 111.6 | ||
| 206 | C | 83.9 | Confident | 72.8 | Confident | 51 Ų | 51 | 133.9 Ų | 133.9 | 35% | 0.345 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 146.2 | 166.6 | -67.5 | 0 | 0 | 0 | 0 | 109.6 | C166 | C166-C206 HydrophobicContact CB-CB 3.93Å; C166-C206 WeakPolarHBondContact CB-SG 3.45Å; C166-C206 PolarHBondContact O-SG 2.88Å; C166-C206 WeakPolarHBondContact SG-CA 3.46Å; C166-C206 WeakPolarHBondContact SG-CB 3.43Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 3.09Å |
| 207 | P | 80.3 | Confident | 70.5 | Confident | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 141.8 | 161.5 | 25.8 | -33.3 | 0 | 0 | 0 | 109.2 | G209 | P207-G209 VanDerWaalsContact C-N 3.32Å; P207-G209 PolarHBondContact O-N 3.49Å |
| 208 | E | 65.4 | Low | 67.8 | Low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -71.9 | 81.4 | -171.2 | -76.2 | -136 | 114.3 | 0 | 0 | 112.6 | K211 | E208-K211 WeakPolarHBondContact OE1-CE 3.3Å; E208-K211 IonicContact OE1-NZ 3.44Å; E208-K211 WeakPolarHBondContact OE2-CE 3.4Å; E208-K211 IonicContact OE2-NZ 3.59Å; E208-K211 PolarHBondContact OE2-NZ 3.44Å |
| 209 | G | 64.3 | Low | 65.7 | Low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | trans | -125.5 | 30.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | P207 | P207-G209 VanDerWaalsContact C-N 3.32Å; P207-G209 PolarHBondContact O-N 3.49Å | ||
| 210 | Q | 53 | Low | 63.6 | Low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 172.2 | 99.1 | 158.1 | -98.4 | 160.5 | 29.9 | 0 | 0 | 111 | R212 | Q210-R212 PolarHBondContact O-N 3.49Å; Q210-R212 VanDerWaalsContact O-N 3.14Å | ||
| 211 | K | 51.2 | Low | 61.2 | Low | 161 Ų | 161 | 152.3 Ų | 152.3 | 70% | 0.7 | 76% | 0.761 | S | S | * | * | trans | -77.5 | 92.5 | 171.9 | -78.6 | 171 | 177.2 | 153.3 | 0 | 111 | E208 | E208-K211 WeakPolarHBondContact OE1-CE 3.3Å; E208-K211 IonicContact OE1-NZ 3.44Å; E208-K211 WeakPolarHBondContact OE2-CE 3.4Å; E208-K211 IonicContact OE2-NZ 3.59Å; E208-K211 PolarHBondContact OE2-NZ 3.44Å | ||
| 212 | R | 46.8 | Very low | 59 | Low | 247 Ų | 247 | 156.5 Ų | 156.5 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -98.6 | 98.1 | 154.4 | -80.3 | -142.7 | 164.7 | -159.6 | -5.2 | 110.1 | Q210 K214 | Q210-R212 PolarHBondContact O-N 3.49Å; Q210-R212 VanDerWaalsContact O-N 3.14Å; R212-K214 PolarHBondContact O-N 3.41Å | ||
| 213 | R | 50.5 | Low | 56.9 | Low | 245 Ų | 245 | 150.5 Ų | 150.5 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -54 | 124.2 | 169.9 | -66.9 | 173.8 | 171.5 | 170.4 | -4.1 | 109.2 | ||||
| 214 | K | 46.3 | Very low | 55.3 | Low | 212 Ų | 212 | 147.6 Ų | 147.6 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | trans | -116.6 | 108.2 | 146 | -161.9 | 168.8 | -172.7 | 177.1 | 0 | 105.6 | R212 | R212-K214 PolarHBondContact O-N 3.41Š| ||
| 215 | G | 39.4 | Very low | 53.4 | Low | 71 Ų | 71 | 153.8 Ų | 153.8 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -67 | 157.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 216 | G | 46.9 | Very low | 51.8 | Low | 84 Ų | 84 | 156.2 Ų | 156.2 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -81.3 | 119.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 217 | Q | 42.7 | Very low | 50.2 | Low | 200 Ų | 200 | 161.6 Ų | 161.6 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -147.2 | 152.6 | 163.5 | -100 | 175.2 | -21 | 0 | 0 | 107.2 | ||||
| 218 | G | 38.8 | Very low | 48.2 | Very low | 81 Ų | 81 | 160.5 Ų | 160.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 100.7 | 30.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 219 | R | 50.2 | Low | 47.2 | Very low | 236 Ų | 236 | 163.7 Ų | 163.7 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -98.2 | 125.3 | 153.2 | -173.9 | -179.7 | -176.8 | -173 | 0.9 | 107.7 | ||
| 220 | R | 47.5 | Very low | 45.9 | Very low | 232 Ų | 232 | 171 Ų | 171 | 88% | 0.875 | 85% | 0.845 | S | S | * | * | S | Bend | trans | 75.1 | 100.3 | -164.3 | -55.9 | 173.9 | 171.8 | 163.5 | -4.4 | 112.7 | ||
| 221 | E | 42.8 | Very low | 45 | Very low | 192 Ų | 192 | 171 Ų | 171 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | 178.6 | 100.4 | 111.9 | -95.4 | -170.5 | 146.5 | 0 | 0 | 110.4 | |||||
| 222 | N | 45.2 | Very low | 44.3 | Very low | 142 Ų | 142 | 168.7 Ų | 168.7 | 76% | 0.759 | 85% | 0.849 | S | S | * | * | trans | -159.5 | 53.6 | 155 | -147.6 | -28.6 | 0 | 0 | 0 | 110.6 | ||||
| 223 | A | 44.3 | Very low | 43.7 | Very low | 107 Ų | 107 | 165.2 Ų | 165.2 | 88% | 0.884 | 84% | 0.841 | S | S | * | * | trans | -109.9 | 22.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 224 | N | 51.1 | Low | 42.7 | Very low | 129 Ų | 129 | 161.1 Ų | 161.1 | 69% | 0.69 | 83% | 0.833 | S | S | * | * | trans | -146.9 | 80.4 | 177.7 | -161.8 | 1.6 | 0 | 0 | 0 | 112.5 | ||||
| 225 | R | 47.4 | Very low | 41.9 | Very low | 224 Ų | 224 | 156 Ų | 156 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -136.5 | 21.2 | 169.8 | -149.8 | -176.2 | 179.2 | -175.5 | 0.1 | 113.5 | ||||
| 226 | N | 50.9 | Low | 41.5 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -116.2 | -2.5 | -174.7 | -88.6 | -3.5 | 0 | 0 | 0 | 114.8 | ||
| 227 | L | 48.3 | Very low | 40.8 | Very low | 164 Ų | 164 | 158.8 Ų | 158.8 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -123.7 | 32.9 | -176.1 | -70.2 | 174.6 | 0 | 0 | 0 | 113.4 | ||
| 228 | A | 38.9 | Very low | 40.3 | Very low | 92 Ų | 92 | 153 Ų | 153 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -126.9 | 113.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 229 | R | 44 | Very low | 40 | Very low | 225 Ų | 225 | 153.7 Ų | 153.7 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | trans | 65.2 | 53.6 | 163.5 | -145.3 | 170.6 | -165.8 | 157.7 | 4.8 | 117.8 | E231 | R229-E231 PolarHBondContact O-N 2.91Š| ||
| 230 | K | 37.6 | Very low | 39.3 | Very low | 216 Ų | 216 | 152.5 Ų | 152.5 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -76.1 | 56.3 | 152.4 | -172.3 | -148 | 171.1 | -174 | 0 | 110.3 | ||||
| 231 | E | 34.8 | Very low | 38.7 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -154.5 | 76.5 | 177.4 | -156 | 161.7 | -141.6 | 0 | 0 | 112.5 | R229 | R229-E231 PolarHBondContact O-N 2.91Š| ||
| 232 | S | 35.9 | Very low | 38.4 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -176.6 | 85.7 | 157.6 | 57.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 233 | K | 33.9 | Very low | 37.7 | Very low | 175 Ų | 175 | 154 Ų | 154 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -105.7 | 150.9 | 178 | -174.4 | -165.1 | 166.6 | -120.9 | 0 | 108 | ||||
| 234 | E | 29.6 | Very low | 36.9 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 73 | 131.4 | -175.9 | -66.7 | 148.1 | -142.3 | 0 | 0 | 113.2 | ||||
| 235 | A | 29.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | cis | -149.8 | 161.1 | -13.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 236 | G | 31.4 | Very low | 35.8 | Very low | 62 Ų | 62 | 151.1 Ų | 151.1 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | cis | -169.8 | -170.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 237 | T | 32.6 | Very low | 35 | Very low | 152 Ų | 152 | 150 Ų | 150 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | trans | 28.8 | 125.7 | 156.6 | 54.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 238 | G | 31.8 | Very low | 34.3 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | cis | 174.9 | 160.8 | -1.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 239 | S | 33.5 | Very low | 34 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -21.9 | 154 | 163.7 | -74.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 240 | R | 35.3 | Very low | 33.4 | Very low | 211 Ų | 211 | 149.6 Ų | 149.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | cis | -164.2 | 146.7 | 7.4 | -104.5 | 154.2 | -154.8 | -165.6 | 1 | 108.9 | ||||
| 241 | R | 34.7 | Very low | 33.2 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | 44 | 139.3 | 95.5 | -75.3 | -179 | 175 | -176.8 | -0.2 | 114.9 | |||||
| 242 | R | 36.9 | Very low | 32.9 | Very low | 226 Ų | 226 | 148.4 Ų | 148.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | cis | -165.9 | -177.5 | 29.1 | -121.2 | -178 | 173.5 | 172.8 | -3.6 | 107.5 | ||||
| 243 | K | 28.8 | Very low | 32.5 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | cis | -164.6 | 119.1 | -4.2 | 159.8 | -111.3 | 153.9 | -167.2 | 0 | 110.9 | ||||
| 244 | G | 28.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 66 | -169.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 245 | Q | 36.6 | Very low | 32.5 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 58% | 0.575 | 77% | 0.774 | S | S | * | * | cis | -156.8 | 123.5 | -2.1 | -178.5 | 170.9 | -22.8 | 0 | 0 | 110.2 | Q247 | Q245-Q247 VanDerWaalsContact NE2-OE1 3.11Š| ||
| 246 | Q | 38.8 | Very low | 32.7 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | -79.2 | 131.3 | 168.7 | -88.7 | -176.8 | -21 | 0 | 0 | 110.4 | ||||
| 247 | Q | 33.8 | Very low | 33.3 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 64% | 0.64 | 78% | 0.775 | S | S | * | * | trans | -152.7 | 143.1 | 167.5 | -155.6 | 157.8 | -8.6 | 0 | 0 | 112.6 | Q245 | Q245-Q247 VanDerWaalsContact NE2-OE1 3.11Š| ||
| 248 | Q | 33.3 | Very low | 33.4 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 64% | 0.64 | 77% | 0.768 | S | S | * | * | trans | -11.2 | 139.3 | 172.2 | -61.7 | 155.8 | -89.6 | 0 | 0 | 119.1 | ||||
| 249 | Q | 32.9 | Very low | 33.6 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -118.5 | 116.4 | 131.4 | -73.4 | -164.8 | 0.7 | 0 | 0 | 110.5 | ||||
| 250 | Q | 32.3 | Very low | 33.8 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -95.3 | 144.3 | 143.6 | -67.1 | 171.2 | -94.7 | 0 | 0 | 105.8 | ||||
| 251 | Q | 32.5 | Very low | 33.9 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -136.1 | 129.4 | 165 | -64.3 | -163.7 | 29.9 | 0 | 0 | 109.2 | ||||
| 252 | Q | 28.3 | Very low | 33.9 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -159.6 | 105.2 | 172.5 | -169.8 | 172.8 | 47.3 | 0 | 0 | 109.6 | ||||
| 253 | G | 27.5 | Very low | 34.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 73.9 | 167.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 254 | T | 30.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | cis | -162.8 | 153 | -9.2 | -12.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | V | 33 | Very low | 35.7 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | 59 | 101.8 | 159.8 | -167.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 256 | G | 33.6 | Very low | 35.6 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 47.8 | -173.2 | 134 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 257 | P | 45.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | cis | -130.9 | -174.3 | -11.3 | 41.4 | -25 | 0 | 0 | 0 | 115 | ||||
| 258 | L | 33.7 | Very low | 35.5 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | 81.7 | 125.7 | 150 | -115.4 | 75.6 | 0 | 0 | 0 | 123.2 | ||||
| 259 | T | 35.6 | Very low | 35.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 84% | 0.836 | S | S | * | * | trans | 67.1 | 116.8 | 139.5 | 39.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 260 | S | 38 | Very low | 35.8 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | 101.4 | 153.7 | 114.6 | 80.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 261 | A | 37.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | trans | 66.9 | 130.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 262 | G | 35.3 | Very low | 36.4 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 85% | 0.85 | S | S | * | * | trans | -100.8 | -140.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 263 | P | 57.8 | Low | 37.1 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 87% | 0.87 | 84% | 0.843 | S | S | * | * | cis | -126.8 | 165.8 | -1.8 | 41.1 | -27.2 | 0 | 0 | 0 | 114.6 | ||||
| 264 | A | 37.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 100% | 1.471 | 85% | 0.854 | S | S | * | * | trans | -156.9 | 0 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 264 of 264 residues in 131.1 ms
(Link to these results)