| 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 | 43.9 | Very low | 64.5 | Low | 238 Ų | 238 | 116.4 Ų | 116.4 | 100% | 1.172 | 61% | 0.611 | S | S | * | * | 0 | 94.2 | 0 | -72.7 | 179.4 | 153.6 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.17Š| |||
| 2 | S | 52.4 | Low | 65.3 | Low | 123 Ų | 123 | 114.4 Ų | 114.4 | 86% | 0.86 | 61% | 0.607 | S | S | * | * | trans | -80.6 | 107.8 | -177 | -61 | 0 | 0 | 0 | 0 | 109.1 | N4 | S2-N4 PolarHBondContact O-N 3.3Š| ||
| 3 | S | 56.7 | Low | 65.7 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 70% | 0.699 | 62% | 0.618 | S | S | * | * | trans | -71.9 | 113.4 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 109.2 | M1 E5 | M1-S3 PolarHBondContact O-N 3.17Å; S3-E5 PolarHBondContact O-N 3.5Å | ||
| 4 | N | 68.4 | Low | 66.3 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 65% | 0.647 | 59% | 0.586 | S | S | * | * | trans | -73.5 | 72.2 | 174.7 | -112 | 24 | 0 | 0 | 0 | 109.8 | S2 T12 G13 | S2-N4 PolarHBondContact O-N 3.3Å; N4-T12 WeakPolarHBondContact O-CA 3.45Å; N4-T12 WeakPolarHBondContact O-CB 3.26Å; N4-G13 PolarHBondContact O-N 3.24Å | ||
| 5 | E | 66.6 | Low | 66.5 | Low | 103 Ų | 103 | 109.5 Ų | 109.5 | 48% | 0.481 | 59% | 0.587 | S | S | . | * | B | Isolated β-bridge | trans | -98.6 | 131.2 | 178.3 | -164.7 | 176.3 | 101.6 | 0 | 0 | 110.7 | S3 F7 G10 T12 | S3-E5 PolarHBondContact O-N 3.5Å; E5-F7 PolarHBondContact O-N 2.85Å; E5-F7 VanDerWaalsContact O-N 3.15Å; E5-G10 VanDerWaalsContact CD-O 3.26Å; E5-G10 VanDerWaalsContact CG-O 3.27Å; E5-G10 WeakPolarHBondContact CG-O 3.49Å; E5-T12 HydrophobicContact CB-CG2 3.98Å; E5-T12 HydrophobicContact CG-CG2 4.12Å |
| 6 | C | 69.6 | Low | 66.7 | Low | 0 Ų | 0 | 103.5 Ų | 103.5 | 0% | 0 | 56% | 0.557 | C | S | . | * | trans | -69.1 | 110 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | K8 C9 G10 R11 H14 | C6-K8 PolarHBondContact O-N 2.91Å; C6-C9 PolarHBondContact O-N 3.45Å; C6-G10 PolarHBondContact O-N 3.22Å; C6-R11 VanDerWaalsContact CB-O 3.22Å; C6-R11 WeakPolarHBondContact CB-O 3.44Å; C6-R11 PolarHBondContact N-O 3.42Å; C6-H14 WeakPolarHBondContact CB-NE2 3.32Å; C6-H14 VanDerWaalsContact SG-CD2 3.59Å; C6-H14 PolarHBondContact SG-NE2 3.37Å | ||
| 7 | F | 70.9 | Confident | 66.7 | Low | 192 Ų | 192 | 110.2 Ų | 110.2 | 84% | 0.842 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -15.2 | 179 | -67.2 | -81.6 | 0 | 0 | 0 | 115.8 | E5 | E5-F7 PolarHBondContact O-N 2.85Å; E5-F7 VanDerWaalsContact O-N 3.15Å |
| 8 | K | 67.8 | Low | 66.3 | Low | 150 Ų | 150 | 112.2 Ų | 112.2 | 65% | 0.652 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -25.4 | 177.2 | -70.9 | -176.9 | -175.2 | 169 | 0 | 113.8 | C6 A16 | C6-K8 PolarHBondContact O-N 2.91Å; K8-A16 HydrophobicContact CD-CB 4.21Å; K8-A16 VanDerWaalsContact CD-O 3.26Å; K8-A16 WeakPolarHBondContact CD-O 3.48Å; K8-A16 WeakPolarHBondContact CE-O 3.26Å; K8-A16 HydrophobicContact CG-CB 4Å; K8-A16 PolarHBondContact NZ-O 3.2Å |
| 9 | C | 75.2 | Confident | 66.4 | Low | 47 Ų | 47 | 107.2 Ų | 107.2 | 32% | 0.318 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.7 | 1.6 | -173 | 72.9 | 0 | 0 | 0 | 0 | 115.2 | C6 R11 H14 | C6-C9 PolarHBondContact O-N 3.45Å; C9-R11 PolarHBondContact O-N 3.49Å; C9-R11 VanDerWaalsContact O-N 3.13Å; C9-H14 PolarHBondContact SG-NE2 3.32Å |
| 10 | G | 68.1 | Low | 66.4 | Low | 41 Ų | 41 | 107.4 Ų | 107.4 | 42% | 0.423 | 56% | 0.563 | S | S | . | * | trans | 67.4 | 8.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E5 C6 | E5-G10 VanDerWaalsContact CD-O 3.26Å; E5-G10 VanDerWaalsContact CG-O 3.27Å; E5-G10 WeakPolarHBondContact CG-O 3.49Å; C6-G10 PolarHBondContact O-N 3.22Å | ||
| 11 | R | 70.3 | Confident | 66.1 | Low | 165 Ų | 165 | 106.9 Ų | 106.9 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | trans | -97.4 | 139.9 | 179.6 | -66 | -176.4 | 65.2 | -155.5 | -2 | 110.8 | C6 C9 | C6-R11 VanDerWaalsContact CB-O 3.22Å; C6-R11 WeakPolarHBondContact CB-O 3.44Å; C6-R11 PolarHBondContact N-O 3.42Å; C9-R11 PolarHBondContact O-N 3.49Å; C9-R11 VanDerWaalsContact O-N 3.13Å | ||
| 12 | T | 73.3 | Confident | 66.6 | Low | 93 Ų | 93 | 98 Ų | 98 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | B | Isolated β-bridge | trans | -84.8 | 155.1 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | N4 E5 | N4-T12 WeakPolarHBondContact O-CA 3.45Å; N4-T12 WeakPolarHBondContact O-CB 3.26Å; E5-T12 HydrophobicContact CB-CG2 3.98Å; E5-T12 HydrophobicContact CG-CG2 4.12Å |
| 13 | G | 71.4 | Confident | 66.6 | Low | 72 Ų | 72 | 99.4 Ų | 99.4 | 74% | 0.742 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 100.6 | 6.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | N4 | N4-G13 PolarHBondContact O-N 3.24Š|
| 14 | H | 73.3 | Confident | 66.1 | Low | 37 Ų | 37 | 97.9 Ų | 97.9 | 17% | 0.171 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -155.1 | 155.4 | 169.4 | 61.5 | -81.4 | 0 | 0 | 0 | 111.6 | C6 C9 C19 | C6-H14 WeakPolarHBondContact CB-NE2 3.32Å; C6-H14 VanDerWaalsContact SG-CD2 3.59Å; C6-H14 PolarHBondContact SG-NE2 3.37Å; C9-H14 PolarHBondContact SG-NE2 3.32Å; H14-C19 VanDerWaalsContact CD2-CA 3.46Å; H14-C19 WeakPolarHBondContact CD2-CA 3.32Å; H14-C19 PolarHBondContact NE2-SG 3.36Å; H14-C19 VanDerWaalsContact NE2-SG 3.4Å |
| 15 | W | 69.8 | Low | 65.2 | Low | 161 Ų | 161 | 103.4 Ų | 103.4 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | trans | -82.6 | 155.9 | 173.1 | -172.9 | -75.2 | 0 | 0 | 0 | 110.8 | R17 E18 C19 | W15-R17 PolarHBondContact O-N 3.26Å; W15-E18 PolarHBondContact O-N 3.48Å; W15-C19 PolarHBondContact O-N 2.92Å | ||
| 16 | A | 69.3 | Low | 63.9 | Low | 13 Ų | 13 | 102 Ų | 102 | 11% | 0.107 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -54.6 | -8.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | K8 | K8-A16 HydrophobicContact CD-CB 4.21Å; K8-A16 VanDerWaalsContact CD-O 3.26Å; K8-A16 WeakPolarHBondContact CD-O 3.48Å; K8-A16 WeakPolarHBondContact CE-O 3.26Å; K8-A16 HydrophobicContact CG-CB 4Å; K8-A16 PolarHBondContact NZ-O 3.2Å |
| 17 | R | 66.9 | Low | 62.5 | Low | 218 Ų | 218 | 114 Ų | 114 | 82% | 0.823 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -22.1 | 179.8 | -67.6 | 168.8 | 75.8 | 135.8 | 1.4 | 111.1 | W15 | W15-R17 PolarHBondContact O-N 3.26Š|
| 18 | E | 58.8 | Low | 61.3 | Low | 146 Ų | 146 | 108.5 Ų | 108.5 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -110.3 | 18.2 | -178.7 | -58.7 | -179.4 | 111.2 | 0 | 0 | 111 | W15 P20 | W15-E18 PolarHBondContact O-N 3.48Å; E18-P20 WeakPolarHBondContact O-CD 3.48Å |
| 19 | C | 68.8 | Low | 60.1 | Low | 17 Ų | 17 | 109.4 Ų | 109.4 | 12% | 0.115 | 61% | 0.606 | C | S | . | * | trans | -68.9 | 113.9 | 179.7 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | H14 W15 T21 G22 | H14-C19 VanDerWaalsContact CD2-CA 3.46Å; H14-C19 WeakPolarHBondContact CD2-CA 3.32Å; H14-C19 PolarHBondContact NE2-SG 3.36Å; H14-C19 VanDerWaalsContact NE2-SG 3.4Å; W15-C19 PolarHBondContact O-N 2.92Å; C19-T21 PolarHBondContact O-N 3.11Å; C19-T21 PolarHBondContact SG-OG1 3.25Å; C19-G22 PolarHBondContact O-N 2.96Å | ||
| 20 | P | 67 | Low | 58.7 | Low | 110 Ų | 110 | 119 Ų | 119 | 71% | 0.714 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -16.6 | -174.7 | 27.2 | -33.9 | 0 | 0 | 0 | 112.7 | E18 | E18-P20 WeakPolarHBondContact O-CD 3.48Š|
| 21 | T | 60.7 | Low | 57.6 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 13.3 | 171.1 | 27 | 0 | 0 | 0 | 0 | 113.2 | C19 I23 | C19-T21 PolarHBondContact O-N 3.11Å; C19-T21 PolarHBondContact SG-OG1 3.25Å; T21-I23 VanDerWaalsContact C-N 3.33Å; T21-I23 PolarHBondContact O-N 3.47Å |
| 22 | G | 53.3 | Low | 56.5 | Low | 50 Ų | 50 | 126.8 Ų | 126.8 | 52% | 0.515 | 67% | 0.67 | S | S | . | * | trans | -57.6 | 95 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C19 G24 | C19-G22 PolarHBondContact O-N 2.96Å; G22-G24 VanDerWaalsContact C-N 3.27Å; G22-G24 PolarHBondContact O-N 3Å | ||
| 23 | I | 52.5 | Low | 54.9 | Low | 153 Ų | 153 | 125.4 Ų | 125.4 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -59.9 | 96.1 | 170.8 | -62.2 | 173.3 | 0 | 0 | 0 | 106.4 | T21 R25 | T21-I23 VanDerWaalsContact C-N 3.33Å; T21-I23 PolarHBondContact O-N 3.47Å; I23-R25 PolarHBondContact O-N 3.11Å | ||
| 24 | G | 47.1 | Very low | 53.7 | Low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -63.1 | 128.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G22 | G22-G24 VanDerWaalsContact C-N 3.27Å; G22-G24 PolarHBondContact O-N 3Å | ||
| 25 | R | 48.7 | Very low | 52 | Low | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | trans | -118 | 109.4 | 149.6 | -63 | -170.8 | 179.6 | -157.6 | 1.1 | 103.7 | I23 | I23-R25 PolarHBondContact O-N 3.11Š| ||
| 26 | G | 38.6 | Very low | 50.8 | Low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | cis | 106.2 | 126.3 | 47.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 27 | R | 39.9 | Very low | 49.5 | Very low | 252 Ų | 252 | 143.9 Ų | 143.9 | 95% | 0.951 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -46.5 | 154.5 | -170.8 | -71.8 | 171.5 | 170.5 | -168.8 | -3.6 | 115.1 | ||
| 28 | G | 47.6 | Very low | 48.3 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -41.8 | 141.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 29 | M | 41.5 | Very low | 48 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | trans | -139.3 | 125.6 | 158.1 | -158.2 | 70.4 | 104.6 | 0 | 0 | 108.2 | S31 | M29-S31 PolarHBondContact O-N 2.81Š| ||
| 30 | R | 46.2 | Very low | 46.8 | Very low | 249 Ų | 249 | 146.5 Ų | 146.5 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 96.9 | 177.8 | -66.5 | -175.9 | 175.9 | -169 | -0.4 | 109.1 | R32 | R30-R32 PolarHBondContact O-N 2.74Š| ||
| 31 | S | 44.9 | Very low | 46.2 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -91.8 | 104.2 | 180 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | M29 G33 | M29-S31 PolarHBondContact O-N 2.81Å; S31-G33 VanDerWaalsContact C-N 3.34Å; S31-G33 PolarHBondContact O-N 3.28Å | ||
| 32 | R | 46.4 | Very low | 46.2 | Very low | 258 Ų | 258 | 147.6 Ų | 147.6 | 97% | 0.974 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 86 | 164 | -161.3 | 177.6 | -165.5 | 144.7 | 0.9 | 109.3 | R30 | R30-R32 PolarHBondContact O-N 2.74Š| ||
| 33 | G | 41 | Very low | 46.2 | Very low | 64 Ų | 64 | 151.2 Ų | 151.2 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 86.6 | 137.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | S31 | S31-G33 VanDerWaalsContact C-N 3.34Å; S31-G33 PolarHBondContact O-N 3.28Å | ||
| 34 | R | 45.7 | Very low | 46.5 | Very low | 257 Ų | 257 | 148.1 Ų | 148.1 | 97% | 0.97 | 79% | 0.788 | S | S | * | * | trans | 66.6 | 123.4 | 162.2 | -58.5 | -174.4 | -169.9 | -160.1 | 3.6 | 116.7 | ||||
| 35 | G | 38.2 | Very low | 47.3 | Very low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 161 | 136.3 | 7.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 36 | F | 43.9 | Very low | 48.1 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | 38.6 | 105.8 | 155.8 | -84.1 | -99.2 | 0 | 0 | 0 | 119.8 | F38 | F36-F38 PolarHBondContact O-N 3.33Š| ||
| 37 | Q | 42.3 | Very low | 49.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | -81.4 | 104.2 | 158.5 | -71.4 | 91.3 | 3 | 0 | 0 | 110.3 | ||||
| 38 | F | 42.1 | Very low | 50.7 | Low | 186 Ų | 186 | 135.8 Ų | 135.8 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | trans | -88.7 | 122 | 158.4 | -117 | -95.2 | 0 | 0 | 0 | 107.6 | F36 S40 | F36-F38 PolarHBondContact O-N 3.33Å; F38-S40 PolarHBondContact O-N 3.38Å | ||
| 39 | M | 51.3 | Low | 51.5 | Low | 169 Ų | 169 | 137.1 Ų | 137.1 | 83% | 0.833 | 69% | 0.692 | S | S | * | * | trans | -70.9 | 110.2 | 168.3 | -63.2 | -69.2 | 175.4 | 0 | 0 | 107.3 | ||||
| 40 | S | 43.7 | Very low | 52.7 | Low | 81 Ų | 81 | 131 Ų | 131 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | trans | -125.6 | 92.5 | 171.4 | -169.3 | 0 | 0 | 0 | 0 | 109 | F38 S42 | F38-S40 PolarHBondContact O-N 3.38Å; S40-S42 PolarHBondContact O-N 2.85Å | ||
| 41 | S | 55.3 | Low | 53.6 | Low | 120 Ų | 120 | 121.8 Ų | 121.8 | 84% | 0.839 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 31.6 | -174.5 | -43.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 42 | S | 60.2 | Low | 54.7 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.2 | 10.6 | -174.3 | -56 | 0 | 0 | 0 | 0 | 116.2 | S40 | S40-S42 PolarHBondContact O-N 2.85Š|
| 43 | L | 54 | Low | 55.8 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -113.4 | 132.5 | 162.3 | -81.3 | 126.2 | 0 | 0 | 0 | 108.1 | D45 | L43-D45 PolarHBondContact O-N 3.49Š|
| 44 | P | 57.7 | Low | 57.3 | Low | 87 Ų | 87 | 114.7 Ų | 114.7 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | trans | -55.9 | 126.6 | 173.8 | 22.5 | -30.2 | 0 | 0 | 0 | 108 | I46 | P44-I46 HydrophobicContact CB-CG1 4.16Å; P44-I46 HydrophobicContact CG-CD1 4.02Å; P44-I46 HydrophobicContact CG-CG1 4.18Å; P44-I46 PolarHBondContact O-N 2.92Å | ||
| 45 | D | 64.1 | Low | 58.8 | Low | 97 Ų | 97 | 104.6 Ų | 104.6 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | trans | -65.9 | 75.8 | 173.5 | -85.4 | -62 | 0 | 0 | 0 | 108.6 | L43 C47 S53 G54 L56 | L43-D45 PolarHBondContact O-N 3.49Å; D45-C47 PolarHBondContact O-N 3.39Å; D45-S53 CarbonylContact O-C 3.53Å; D45-S53 VanDerWaalsContact O-CA 3.27Å; D45-S53 WeakPolarHBondContact O-CA 3.5Å; D45-G54 PolarHBondContact O-N 3.49Å; D45-L56 HydrophobicContact CB-CD1 4.32Å; D45-L56 VanDerWaalsContact OD1-CD1 3.3Å; D45-L56 WeakPolarHBondContact OD1-CD1 3.31Å | ||
| 46 | I | 65.6 | Low | 60.2 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 36% | 0.359 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -76.7 | 115.9 | 172 | -61.1 | 167.5 | 0 | 0 | 0 | 105.7 | P44 Y48 | P44-I46 HydrophobicContact CB-CG1 4.16Å; P44-I46 HydrophobicContact CG-CD1 4.02Å; P44-I46 HydrophobicContact CG-CG1 4.18Å; P44-I46 PolarHBondContact O-N 2.92Å; I46-Y48 WeakPolarHBondContact O-CD2 3.48Å; I46-Y48 PolarHBondContact O-N 3.11Å |
| 47 | C | 67.9 | Low | 61.3 | Low | 0 Ų | 0 | 97.9 Ų | 97.9 | 0% | 0 | 55% | 0.55 | C | S | . | . | trans | -62.5 | 105 | 172.4 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | D45 R49 C50 G51 E52 H55 | D45-C47 PolarHBondContact O-N 3.39Å; C47-R49 PolarHBondContact O-N 3.01Å; C47-R49 PolarHBondContact SG-N 3.01Å; C47-C50 VanDerWaalsContact CB-SG 3.53Å; C47-C50 PolarHBondContact O-N 3.23Å; C47-C50 VanDerWaalsContact O-N 3.17Å; C47-C50 PolarHBondContact SG-N 3.14Å; C47-C50 VanDerWaalsContact SG-N 3.44Å; C47-C50 PolarHBondContact SG-SG 3.19Å; C47-G51 WeakPolarHBondContact O-CA 3.09Å; C47-G51 PolarHBondContact O-N 2.94Å; C47-E52 VanDerWaalsContact CB-O 3.3Å; C47-E52 WeakPolarHBondContact CB-O 3.48Å; C47-E52 PolarHBondContact N-O 3.44Å; C47-H55 WeakPolarHBondContact CB-NE2 3.48Å; C47-H55 WeakPolarHBondContact CB-O 3.41Å; C47-H55 PolarHBondContact SG-NE2 3.34Å | ||
| 48 | Y | 65.1 | Low | 62.3 | Low | 204 Ų | 204 | 97.4 Ų | 97.4 | 80% | 0.8 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -3.7 | 176.6 | -61.8 | -79.5 | 0 | 0 | 0 | 114.1 | I46 | I46-Y48 WeakPolarHBondContact O-CD2 3.48Å; I46-Y48 PolarHBondContact O-N 3.11Å |
| 49 | R | 64.8 | Low | 63.3 | Low | 106 Ų | 106 | 93.8 Ų | 93.8 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -34.5 | 172.4 | -78.2 | -163.6 | -74.5 | -116.1 | 36.2 | 113.8 | C47 A57 | C47-R49 PolarHBondContact O-N 3.01Å; C47-R49 PolarHBondContact SG-N 3.01Å; R49-A57 HydrophobicContact CB-CB 4.49Å; R49-A57 HydrophobicContact CG-CB 4.05Å; R49-A57 PolarHBondContact NE-O 2.82Å; R49-A57 PolarHBondContact NH2-O 2.88Å |
| 50 | C | 66.4 | Low | 64.2 | Low | 41 Ų | 41 | 86.4 Ų | 86.4 | 28% | 0.277 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -8.7 | -179.6 | 71.6 | 0 | 0 | 0 | 0 | 115.1 | C47 E52 H55 L62 | C47-C50 VanDerWaalsContact CB-SG 3.53Å; C47-C50 PolarHBondContact O-N 3.23Å; C47-C50 VanDerWaalsContact O-N 3.17Å; C47-C50 PolarHBondContact SG-N 3.14Å; C47-C50 VanDerWaalsContact SG-N 3.44Å; C47-C50 PolarHBondContact SG-SG 3.19Å; C50-E52 VanDerWaalsContact C-N 3.27Å; C50-E52 PolarHBondContact O-N 2.96Å; C50-H55 PolarHBondContact SG-CE1 3.37Å; C50-H55 PolarHBondContact SG-NE2 3.28Å; C50-L62 HydrophobicContact CB-CD1 3.63Å |
| 51 | G | 64.2 | Low | 65.4 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | trans | 80.1 | -3.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C47 | C47-G51 WeakPolarHBondContact O-CA 3.09Å; C47-G51 PolarHBondContact O-N 2.94Å | ||
| 52 | E | 68 | Low | 65.7 | Low | 126 Ų | 126 | 89.7 Ų | 89.7 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | trans | -87.8 | 143 | 179 | -66.5 | -165 | 102 | 0 | 0 | 112.5 | C47 C50 | C47-E52 VanDerWaalsContact CB-O 3.3Å; C47-E52 WeakPolarHBondContact CB-O 3.48Å; C47-E52 PolarHBondContact N-O 3.44Å; C50-E52 VanDerWaalsContact C-N 3.27Å; C50-E52 PolarHBondContact O-N 2.96Å | ||
| 53 | S | 69.9 | Low | 65.5 | Low | 85 Ų | 85 | 93.2 Ų | 93.2 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -85.6 | 140.4 | 174.5 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | D45 | D45-S53 CarbonylContact O-C 3.53Å; D45-S53 VanDerWaalsContact O-CA 3.27Å; D45-S53 WeakPolarHBondContact O-CA 3.5Å |
| 54 | G | 73.4 | Confident | 65.7 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 75% | 0.753 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 123.6 | -1.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | D45 | D45-G54 PolarHBondContact O-N 3.49Š|
| 55 | H | 75.8 | Confident | 66 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 21% | 0.213 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -148.9 | 150 | 172.2 | 62 | -82.2 | 0 | 0 | 0 | 110.7 | C47 C50 C60 | C47-H55 WeakPolarHBondContact CB-NE2 3.48Å; C47-H55 WeakPolarHBondContact CB-O 3.41Å; C47-H55 PolarHBondContact SG-NE2 3.34Å; C50-H55 PolarHBondContact SG-CE1 3.37Å; C50-H55 PolarHBondContact SG-NE2 3.28Å; H55-C60 VanDerWaalsContact CD2-CA 3.47Å; H55-C60 WeakPolarHBondContact CD2-CA 3.35Å; H55-C60 WeakPolarHBondContact NE2-CB 3.23Å; H55-C60 PolarHBondContact NE2-SG 3.39Å |
| 56 | L | 67.9 | Low | 66.4 | Low | 88 Ų | 88 | 90 Ų | 90 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | trans | -72.9 | 151.9 | 169.9 | -90.1 | 72.6 | 0 | 0 | 0 | 108.9 | D45 K58 D59 | D45-L56 HydrophobicContact CB-CD1 4.32Å; D45-L56 VanDerWaalsContact OD1-CD1 3.3Å; D45-L56 WeakPolarHBondContact OD1-CD1 3.31Å; L56-K58 PolarHBondContact O-N 3.41Å; L56-D59 PolarHBondContact O-N 3Å | ||
| 57 | A | 67.8 | Low | 66.8 | Low | 26 Ų | 26 | 86.7 Ų | 86.7 | 22% | 0.215 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -41.7 | -47 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R49 D59 C60 | R49-A57 HydrophobicContact CB-CB 4.49Å; R49-A57 HydrophobicContact CG-CB 4.05Å; R49-A57 PolarHBondContact NE-O 2.82Å; R49-A57 PolarHBondContact NH2-O 2.88Å; A57-D59 PolarHBondContact O-N 2.74Å; A57-D59 VanDerWaalsContact O-N 3.16Å; A57-C60 WeakPolarHBondContact O-CB 3.44Å; A57-C60 PolarHBondContact O-N 3.36Å; A57-C60 VanDerWaalsContact O-N 3.1Å |
| 58 | K | 63.8 | Low | 66.9 | Low | 148 Ų | 148 | 96.1 Ų | 96.1 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -52.9 | -32.6 | -179.6 | -68.5 | -177 | 178 | 178.6 | 0 | 115.4 | L56 | L56-K58 PolarHBondContact O-N 3.41Š|
| 59 | D | 63.2 | Low | 67.3 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -108.3 | 20 | -174.7 | -53.5 | -72.2 | 0 | 0 | 0 | 111.5 | L56 A57 D61 | L56-D59 PolarHBondContact O-N 3Å; A57-D59 PolarHBondContact O-N 2.74Å; A57-D59 VanDerWaalsContact O-N 3.16Å; D59-D61 PolarHBondContact O-N 3.49Å |
| 60 | C | 69.6 | Low | 67.8 | Low | 15 Ų | 15 | 82.9 Ų | 82.9 | 10% | 0.101 | 46% | 0.456 | C | S | . | . | trans | -76.7 | 115.5 | 175 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | H55 A57 L62 | H55-C60 VanDerWaalsContact CD2-CA 3.47Å; H55-C60 WeakPolarHBondContact CD2-CA 3.35Å; H55-C60 WeakPolarHBondContact NE2-CB 3.23Å; H55-C60 PolarHBondContact NE2-SG 3.39Å; A57-C60 WeakPolarHBondContact O-CB 3.44Å; A57-C60 PolarHBondContact O-N 3.36Å; A57-C60 VanDerWaalsContact O-N 3.1Å; C60-L62 PolarHBondContact O-N 3.43Å | ||
| 61 | D | 68 | Low | 68 | Low | 164 Ų | 164 | 83.2 Ų | 83.2 | 88% | 0.877 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -67.1 | -15.5 | 177.9 | -64.8 | -62.5 | 0 | 0 | 0 | 113.3 | D59 Q63 | D59-D61 PolarHBondContact O-N 3.49Å; D61-Q63 PolarHBondContact O-N 2.81Å |
| 62 | L | 62.4 | Low | 68.3 | Low | 106 Ų | 106 | 87.6 Ų | 87.6 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | trans | -74.1 | 80.8 | 166.9 | -60.4 | 168.4 | 0 | 0 | 0 | 108 | C50 C60 E64 | C50-L62 HydrophobicContact CB-CD1 3.63Å; C60-L62 PolarHBondContact O-N 3.43Å; L62-E64 PolarHBondContact O-N 3.49Å | ||
| 63 | Q | 55.4 | Low | 68.5 | Low | 185 Ų | 185 | 83.1 Ų | 83.1 | 86% | 0.864 | 45% | 0.453 | S | S | * | . | trans | -67.3 | 14.5 | 179.1 | -160.1 | 172.7 | 104.5 | 0 | 0 | 113.8 | D61 D65 | D61-Q63 PolarHBondContact O-N 2.81Å; Q63-D65 PolarHBondContact O-N 3.44Å | ||
| 64 | E | 59.8 | Low | 68.8 | Low | 117 Ų | 117 | 82 Ų | 82 | 55% | 0.547 | 46% | 0.455 | S | S | . | . | trans | -91.6 | 98.7 | 178.2 | -61.3 | -89.4 | 141.3 | 0 | 0 | 106.5 | L62 A66 G74 | L62-E64 PolarHBondContact O-N 3.49Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 3.06Å; E64-G74 WeakPolarHBondContact OE2-CA 3.21Å; E64-G74 PolarHBondContact OE2-N 3.24Å | ||
| 65 | D | 64 | Low | 69 | Low | 96 Ų | 96 | 81 Ų | 81 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | trans | -50.3 | 102.6 | 169.2 | -80.4 | -58.2 | 0 | 0 | 0 | 108.1 | Q63 C67 | Q63-D65 PolarHBondContact O-N 3.44Å; D65-C67 PolarHBondContact O-N 2.88Å; D65-C67 VanDerWaalsContact O-N 3.09Å | ||
| 66 | A | 71.7 | Confident | 69 | Low | 28 Ų | 28 | 82.9 Ų | 82.9 | 23% | 0.231 | 44% | 0.442 | C | S | . | . | trans | -60.1 | 121.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | E64 Y68 | E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 3.06Å; A66-Y68 PolarHBondContact O-N 3.45Å | ||
| 67 | C | 73.8 | Confident | 69.2 | Low | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.014 | 44% | 0.437 | C | S | . | . | trans | -53.2 | 119.8 | -179 | 172 | 0 | 0 | 0 | 0 | 109.8 | D65 N69 C70 G71 R72 H75 C80 | D65-C67 PolarHBondContact O-N 2.88Å; D65-C67 VanDerWaalsContact O-N 3.09Å; C67-N69 PolarHBondContact O-N 2.89Å; C67-N69 PolarHBondContact SG-N 3.18Å; C67-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact O-N 3.29Å; C67-G71 VanDerWaalsContact O-CA 3.31Å; C67-G71 WeakPolarHBondContact O-CA 3.21Å; C67-G71 PolarHBondContact O-N 3.27Å; C67-R72 WeakPolarHBondContact CB-O 3.34Å; C67-R72 PolarHBondContact N-O 2.79Å; C67-H75 VanDerWaalsContact CB-NE2 3.31Å; C67-H75 WeakPolarHBondContact CB-NE2 3.21Å; C67-H75 WeakPolarHBondContact CB-O 3.35Å; C67-H75 PolarHBondContact SG-NE2 3.44Å; C67-C80 VanDerWaalsContact SG-CB 3.52Å; C67-C80 PolarHBondContact SG-SG 2.83Å | ||
| 68 | Y | 70.8 | Confident | 69.4 | Low | 197 Ų | 197 | 88.6 Ų | 88.6 | 77% | 0.773 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.1 | -179.6 | -66 | -81.3 | 0 | 0 | 0 | 114.3 | A66 | A66-Y68 PolarHBondContact O-N 3.45Š|
| 69 | N | 72.9 | Confident | 70 | Confident | 15 Ų | 15 | 86.7 Ų | 86.7 | 8% | 0.08 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -60.2 | 173.1 | -173.9 | 7.5 | 0 | 0 | 0 | 111.6 | C67 A77 C80 E82 P83 K84 R85 | C67-N69 PolarHBondContact O-N 2.89Å; C67-N69 PolarHBondContact SG-N 3.18Å; N69-A77 HydrophobicContact CB-CB 4.49Å; N69-C80 HydrophobicContact CB-CB 4.16Å; N69-E82 PolarHBondContact ND2-O 3.23Å; N69-E82 VanDerWaalsContact ND2-O 3.11Å; N69-P83 PolarHBondContact ND2-O 3.4Å; N69-P83 PolarHBondContact OD1-O 3.35Å; N69-K84 WeakPolarHBondContact ND2-CA 3.36Å; N69-K84 WeakPolarHBondContact OD1-CA 3.45Å; N69-R85 WeakPolarHBondContact O-CD 3.46Å; N69-R85 VanDerWaalsContact O-CG 3.31Å; N69-R85 WeakPolarHBondContact O-CG 3.26Å; N69-R85 PolarHBondContact O-NE 3.44Å; N69-R85 PolarHBondContact OD1-N 2.91Å |
| 70 | C | 74.8 | Confident | 70.8 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 12% | 0.122 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -9.6 | -171 | 70.9 | 0 | 0 | 0 | 0 | 115.3 | C67 R72 H75 C80 E82 R85 | C67-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact O-N 3.29Å; C70-R72 PolarHBondContact O-N 3.28Å; C70-R72 PolarHBondContact SG-N 3Å; C70-H75 PolarHBondContact SG-CE1 3.27Å; C70-H75 PolarHBondContact SG-NE2 3.41Å; C70-C80 VanDerWaalsContact SG-SG 3.65Å; C70-E82 HydrophobicContact CB-CB 4.11Å; C70-E82 HydrophobicContact CB-CG 3.75Å; C70-R85 PolarHBondContact O-NH2 2.78Å |
| 71 | G | 70.5 | Confident | 71.2 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | trans | 74.8 | 0.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C67 | C67-G71 VanDerWaalsContact O-CA 3.31Å; C67-G71 WeakPolarHBondContact O-CA 3.21Å; C67-G71 PolarHBondContact O-N 3.27Å | ||
| 72 | R | 71.1 | Confident | 71.6 | Confident | 146 Ų | 146 | 88 Ų | 88 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | trans | -89.6 | 143.5 | 176.1 | -65.7 | -170.4 | -88.4 | -114.4 | 5 | 110.9 | C67 C70 E82 | C67-R72 WeakPolarHBondContact CB-O 3.34Å; C67-R72 PolarHBondContact N-O 2.79Å; C70-R72 PolarHBondContact O-N 3.28Å; C70-R72 PolarHBondContact SG-N 3Å; R72-E82 IonicContact NH2-OE1 2.9Å; R72-E82 PolarHBondContact NH2-OE1 2.82Å; R72-E82 IonicContact NH2-OE2 3.76Å | ||
| 73 | G | 72.6 | Confident | 72 | Confident | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -65.5 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H75 | G73-H75 PolarHBondContact O-N 3.36Å; G73-H75 PolarHBondContact O-ND1 3.47Å; G73-H75 VanDerWaalsContact O-ND1 3.14Å |
| 74 | G | 75.6 | Confident | 72.6 | Confident | 62 Ų | 62 | 87.8 Ų | 87.8 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 86.7 | -3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E64 | E64-G74 WeakPolarHBondContact OE2-CA 3.21Å; E64-G74 PolarHBondContact OE2-N 3.24Å |
| 75 | H | 78.3 | Confident | 72.9 | Confident | 51 Ų | 51 | 89.9 Ų | 89.9 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -160.7 | 153 | 178.7 | 63.5 | -72.3 | 0 | 0 | 0 | 112.1 | C67 C70 G73 D79 C80 | C67-H75 VanDerWaalsContact CB-NE2 3.31Å; C67-H75 WeakPolarHBondContact CB-NE2 3.21Å; C67-H75 WeakPolarHBondContact CB-O 3.35Å; C67-H75 PolarHBondContact SG-NE2 3.44Å; C70-H75 PolarHBondContact SG-CE1 3.27Å; C70-H75 PolarHBondContact SG-NE2 3.41Å; G73-H75 PolarHBondContact O-N 3.36Å; G73-H75 PolarHBondContact O-ND1 3.47Å; G73-H75 VanDerWaalsContact O-ND1 3.14Å; H75-D79 HydrophobicContact CB-CB 4.25Å; H75-C80 VanDerWaalsContact CD2-CA 3.42Å; H75-C80 WeakPolarHBondContact CD2-CA 3.42Å; H75-C80 PolarHBondContact NE2-SG 3.3Å |
| 76 | I | 75.3 | Confident | 72.6 | Confident | 87 Ų | 87 | 94.5 Ų | 94.5 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | trans | -84.3 | 163.6 | 172 | 59.7 | 167.6 | 0 | 0 | 0 | 111 | K78 D79 C80 | I76-K78 HydrophobicContact CD1-CB 3.94Å; I76-K78 HydrophobicContact CD1-CD 4.16Å; I76-K78 HydrophobicContact CD1-CG 4.27Å; I76-K78 HydrophobicContact CG1-CB 4.13Å; I76-K78 PolarHBondContact O-N 3.49Å; I76-D79 WeakPolarHBondContact CG1-OD2 3.47Å; I76-D79 PolarHBondContact O-N 3.05Å; I76-C80 PolarHBondContact O-N 3.17Å | ||
| 77 | A | 72.4 | Confident | 72.1 | Confident | 44 Ų | 44 | 102.8 Ų | 102.8 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -18.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | N69 | N69-A77 HydrophobicContact CB-CB 4.49Š|
| 78 | K | 72.6 | Confident | 71.6 | Confident | 189 Ų | 189 | 109.6 Ų | 109.6 | 82% | 0.822 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -33.3 | 174.6 | -69.4 | -176.6 | 176.4 | -176.5 | 0 | 113.4 | I76 C80 | I76-K78 HydrophobicContact CD1-CB 3.94Å; I76-K78 HydrophobicContact CD1-CD 4.16Å; I76-K78 HydrophobicContact CD1-CG 4.27Å; I76-K78 HydrophobicContact CG1-CB 4.13Å; I76-K78 PolarHBondContact O-N 3.49Å; K78-C80 VanDerWaalsContact C-N 3.34Å |
| 79 | D | 74.8 | Confident | 71.4 | Confident | 108 Ų | 108 | 106.5 Ų | 106.5 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -98.1 | 11.1 | -177.5 | -58.8 | -69.7 | 0 | 0 | 0 | 111.9 | H75 I76 K81 | H75-D79 HydrophobicContact CB-CB 4.25Å; I76-D79 WeakPolarHBondContact CG1-OD2 3.47Å; I76-D79 PolarHBondContact O-N 3.05Å; D79-K81 PolarHBondContact O-N 3.46Å |
| 80 | C | 80.1 | Confident | 71.3 | Confident | 20 Ų | 20 | 108.7 Ų | 108.7 | 14% | 0.135 | 55% | 0.547 | C | S | . | . | trans | -75.8 | 118.4 | -180 | -164.9 | 0 | 0 | 0 | 0 | 111 | C67 N69 C70 H75 I76 K78 E82 | C67-C80 VanDerWaalsContact SG-CB 3.52Å; C67-C80 PolarHBondContact SG-SG 2.83Å; N69-C80 HydrophobicContact CB-CB 4.16Å; C70-C80 VanDerWaalsContact SG-SG 3.65Å; H75-C80 VanDerWaalsContact CD2-CA 3.42Å; H75-C80 WeakPolarHBondContact CD2-CA 3.42Å; H75-C80 PolarHBondContact NE2-SG 3.3Å; I76-C80 PolarHBondContact O-N 3.17Å; K78-C80 VanDerWaalsContact C-N 3.34Å; C80-E82 VanDerWaalsContact C-N 3.27Å; C80-E82 PolarHBondContact O-N 2.77Å | ||
| 81 | K | 79.3 | Confident | 71.3 | Confident | 205 Ų | 205 | 108 Ų | 108 | 89% | 0.891 | 54% | 0.542 | S | S | * | . | trans | -76.6 | -12.3 | 175.9 | -64.2 | -176.2 | -179.7 | -179.3 | 0 | 113.6 | D79 | D79-K81 PolarHBondContact O-N 3.46Š| ||
| 82 | E | 75.3 | Confident | 71.3 | Confident | 91 Ų | 91 | 114.3 Ų | 114.3 | 43% | 0.425 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -75.8 | 146.6 | 176.1 | -61.5 | -68.5 | 137.7 | 0 | 0 | 110.8 | N69 C70 R72 C80 K84 | N69-E82 PolarHBondContact ND2-O 3.23Å; N69-E82 VanDerWaalsContact ND2-O 3.11Å; C70-E82 HydrophobicContact CB-CB 4.11Å; C70-E82 HydrophobicContact CB-CG 3.75Å; R72-E82 IonicContact NH2-OE1 2.9Å; R72-E82 PolarHBondContact NH2-OE1 2.82Å; R72-E82 IonicContact NH2-OE2 3.76Å; C80-E82 VanDerWaalsContact C-N 3.27Å; C80-E82 PolarHBondContact O-N 2.77Å; E82-K84 PolarHBondContact O-N 3.26Å |
| 83 | P | 71.4 | Confident | 71.4 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 70% | 0.695 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -55 | 140.8 | 173 | 25.2 | -33.7 | 0 | 0 | 0 | 109.6 | N69 R85 | N69-P83 PolarHBondContact ND2-O 3.4Å; N69-P83 PolarHBondContact OD1-O 3.35Å; P83-R85 PolarHBondContact O-N 3.15Å; P83-R85 VanDerWaalsContact O-N 3.09Å |
| 84 | K | 68.3 | Low | 71.2 | Confident | 180 Ų | 180 | 109.1 Ų | 109.1 | 78% | 0.783 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 121.2 | 176.6 | -70.7 | 179.8 | -178.7 | 174 | 0 | 108 | N69 E82 E86 | N69-K84 WeakPolarHBondContact ND2-CA 3.36Å; N69-K84 WeakPolarHBondContact OD1-CA 3.45Å; E82-K84 PolarHBondContact O-N 3.26Å; K84-E86 PolarHBondContact O-N 3.01Å |
| 85 | R | 64.8 | Low | 71 | Confident | 161 Ų | 161 | 108.4 Ų | 108.4 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 122.7 | 166.3 | -73.4 | -171.6 | -177.1 | 174.4 | 7.6 | 106.7 | N69 C70 P83 R87 | N69-R85 WeakPolarHBondContact O-CD 3.46Å; N69-R85 VanDerWaalsContact O-CG 3.31Å; N69-R85 WeakPolarHBondContact O-CG 3.26Å; N69-R85 PolarHBondContact O-NE 3.44Å; N69-R85 PolarHBondContact OD1-N 2.91Å; C70-R85 PolarHBondContact O-NH2 2.78Å; P83-R85 PolarHBondContact O-N 3.15Å; P83-R85 VanDerWaalsContact O-N 3.09Å; R85-R87 PolarHBondContact O-N 2.86Å |
| 86 | E | 59.2 | Low | 70.8 | Confident | 193 Ų | 193 | 110 Ų | 110 | 90% | 0.902 | 53% | 0.529 | S | S | * | . | trans | -68.9 | 68.6 | 168.5 | -65.8 | -170 | 116.1 | 0 | 0 | 107.7 | K84 E88 | K84-E86 PolarHBondContact O-N 3.01Å; E86-E88 VanDerWaalsContact C-N 3.34Å; E86-E88 PolarHBondContact O-N 3.36Å; E86-E88 VanDerWaalsContact O-N 3.09Å | ||
| 87 | R | 60.2 | Low | 70.7 | Confident | 203 Ų | 203 | 109.3 Ų | 109.3 | 77% | 0.766 | 53% | 0.53 | S | S | * | . | trans | -69.6 | 106.4 | 160.7 | -177.9 | -178.6 | -66.4 | -87.2 | 2.4 | 103.6 | R85 Q89 | R85-R87 PolarHBondContact O-N 2.86Å; R87-Q89 PolarHBondContact O-N 2.77Å | ||
| 88 | E | 62.8 | Low | 71 | Confident | 144 Ų | 144 | 110.9 Ų | 110.9 | 67% | 0.673 | 55% | 0.55 | S | S | * | * | trans | -41.1 | 110.7 | 172.9 | -63.9 | 176.2 | 143.4 | 0 | 0 | 108 | E86 C90 P97 | E86-E88 VanDerWaalsContact C-N 3.34Å; E86-E88 PolarHBondContact O-N 3.36Å; E86-E88 VanDerWaalsContact O-N 3.09Å; E88-C90 PolarHBondContact O-N 2.87Å; E88-P97 HydrophobicContact CB-CB 3.82Å; E88-P97 HydrophobicContact CG-CB 4.46Å | ||
| 89 | Q | 66.8 | Low | 71.4 | Confident | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | trans | -69.6 | 94 | 176.7 | -77.8 | -174.8 | -17.8 | 0 | 0 | 106.2 | R87 P97 G98 | R87-Q89 PolarHBondContact O-N 2.77Å; Q89-P97 WeakPolarHBondContact O-CA 3.21Å; Q89-G98 PolarHBondContact O-N 3.45Å; Q89-G98 VanDerWaalsContact O-N 3.12Å | ||
| 90 | C | 71.9 | Confident | 71.4 | Confident | 61 Ų | 61 | 102.8 Ų | 102.8 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -73.2 | 130.7 | 172.5 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | E88 Y92 G95 K96 | E88-C90 PolarHBondContact O-N 2.87Å; C90-Y92 PolarHBondContact O-N 3.2Å; C90-G95 WeakPolarHBondContact CB-O 3.2Å; C90-K96 WeakPolarHBondContact CA-O 3.49Å |
| 91 | C | 74.4 | Confident | 71 | Confident | 2 Ų | 2 | 103.1 Ų | 103.1 | 1% | 0.014 | 52% | 0.518 | C | S | . | . | trans | -57.4 | 124.7 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | N93 C94 G95 K96 H99 C104 | C91-N93 PolarHBondContact O-N 3.16Å; C91-N93 VanDerWaalsContact O-N 3.08Å; C91-N93 WeakPolarHBondContact SG-CB 3.47Å; C91-N93 PolarHBondContact SG-N 3.5Å; C91-N93 VanDerWaalsContact SG-N 3.43Å; C91-C94 VanDerWaalsContact CB-SG 3.56Å; C91-C94 VanDerWaalsContact SG-SG 3.62Å; C91-G95 WeakPolarHBondContact O-CA 3.29Å; C91-G95 PolarHBondContact O-N 3.24Å; C91-K96 WeakPolarHBondContact CB-O 3.38Å; C91-K96 PolarHBondContact N-O 3.13Å; C91-H99 WeakPolarHBondContact CA-O 3.2Å; C91-H99 WeakPolarHBondContact CB-NE2 3.27Å; C91-H99 WeakPolarHBondContact CB-O 3.22Å; C91-H99 PolarHBondContact N-O 3.27Å; C91-H99 VanDerWaalsContact SG-CD2 3.54Å; C91-H99 PolarHBondContact SG-NE2 2.93Å; C91-C104 VanDerWaalsContact SG-CB 3.54Å | ||
| 92 | Y | 71.1 | Confident | 70.7 | Confident | 182 Ų | 182 | 104.5 Ų | 104.5 | 71% | 0.714 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.5 | 177.9 | -64.8 | -82.6 | 0 | 0 | 0 | 113.7 | C90 A101 Y113 | C90-Y92 PolarHBondContact O-N 3.2Å; Y92-A101 HydrophobicContact CD2-CB 4.41Å; Y92-Y113 PolarHBondContact O-OH 3.21Å |
| 93 | N | 71.3 | Confident | 70.6 | Confident | 41 Ų | 41 | 105.2 Ų | 105.2 | 22% | 0.219 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -48.7 | -173.6 | -91.9 | 20.8 | 0 | 0 | 0 | 111.7 | C91 A101 C104 Q110 | C91-N93 PolarHBondContact O-N 3.16Å; C91-N93 VanDerWaalsContact O-N 3.08Å; C91-N93 WeakPolarHBondContact SG-CB 3.47Å; C91-N93 PolarHBondContact SG-N 3.5Å; C91-N93 VanDerWaalsContact SG-N 3.43Å; N93-A101 HydrophobicContact CB-CB 4.07Å; N93-A101 PolarHBondContact ND2-O 3.07Å; N93-A101 VanDerWaalsContact ND2-O 3.07Å; N93-C104 HydrophobicContact CB-CB 4.16Å; N93-Q110 PolarHBondContact O-NE2 3.15Å; N93-Q110 PolarHBondContact O-OE1 2.78Å; N93-Q110 PolarHBondContact OD1-OE1 3.34Å |
| 94 | C | 70.3 | Confident | 70.8 | Confident | 27 Ų | 27 | 100.8 Ų | 100.8 | 18% | 0.182 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -7 | -178.2 | 70 | 0 | 0 | 0 | 0 | 114 | C91 K96 H99 H106 | C91-C94 VanDerWaalsContact CB-SG 3.56Å; C91-C94 VanDerWaalsContact SG-SG 3.62Å; C94-K96 PolarHBondContact O-N 3.37Å; C94-H99 PolarHBondContact SG-CE1 3.41Å; C94-H99 PolarHBondContact SG-NE2 2.98Å; C94-H106 HydrophobicContact CB-CB 4.33Å |
| 95 | G | 70.5 | Confident | 71.1 | Confident | 48 Ų | 48 | 99.4 Ų | 99.4 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | trans | 76 | -6.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C90 C91 | C90-G95 WeakPolarHBondContact CB-O 3.2Å; C91-G95 WeakPolarHBondContact O-CA 3.29Å; C91-G95 PolarHBondContact O-N 3.24Å | ||
| 96 | K | 73.2 | Confident | 71.2 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 37% | 0.37 | 49% | 0.485 | S | S | . | . | trans | -77.4 | 140.6 | 179.9 | -63 | 172.8 | -174.9 | 154.3 | 0 | 111.1 | C90 C91 C94 E109 | C90-K96 WeakPolarHBondContact CA-O 3.49Å; C91-K96 WeakPolarHBondContact CB-O 3.38Å; C91-K96 PolarHBondContact N-O 3.13Å; C94-K96 PolarHBondContact O-N 3.37Å; K96-E109 IonicContact NZ-OE1 3.85Å; K96-E109 IonicContact NZ-OE2 3.07Å; K96-E109 PolarHBondContact NZ-OE2 2.91Å | ||
| 97 | P | 73.6 | Confident | 71.3 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 158.5 | 177 | 32.6 | -36.4 | 0 | 0 | 0 | 112.1 | E88 Q89 | E88-P97 HydrophobicContact CB-CB 3.82Å; E88-P97 HydrophobicContact CG-CB 4.46Å; Q89-P97 WeakPolarHBondContact O-CA 3.21Å |
| 98 | G | 78.8 | Confident | 71.4 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 79% | 0.794 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 100.4 | -0.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q89 | Q89-G98 PolarHBondContact O-N 3.45Å; Q89-G98 VanDerWaalsContact O-N 3.12Å |
| 99 | H | 80.3 | Confident | 71.5 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 21% | 0.213 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -152.4 | 158.1 | 173.4 | 63.7 | -78.8 | 0 | 0 | 0 | 112 | C91 C94 C104 | C91-H99 WeakPolarHBondContact CA-O 3.2Å; C91-H99 WeakPolarHBondContact CB-NE2 3.27Å; C91-H99 WeakPolarHBondContact CB-O 3.22Å; C91-H99 PolarHBondContact N-O 3.27Å; C91-H99 VanDerWaalsContact SG-CD2 3.54Å; C91-H99 PolarHBondContact SG-NE2 2.93Å; C94-H99 PolarHBondContact SG-CE1 3.41Å; C94-H99 PolarHBondContact SG-NE2 2.98Å; H99-C104 VanDerWaalsContact CD2-CA 3.43Å; H99-C104 WeakPolarHBondContact CD2-CA 3.43Å; H99-C104 PolarHBondContact NE2-SG 3.34Å; H99-C104 VanDerWaalsContact NE2-SG 3.42Å |
| 100 | L | 75.4 | Confident | 71.7 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | trans | -85.6 | 159.3 | 173.9 | -66.4 | 173.7 | 0 | 0 | 0 | 110.3 | R102 D103 C104 | L100-R102 PolarHBondContact O-N 3.42Å; L100-D103 CarbonylContact O-C 3.53Å; L100-D103 PolarHBondContact O-N 3.46Å; L100-C104 PolarHBondContact O-N 2.91Å | ||
| 101 | A | 71.9 | Confident | 71.8 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -55.9 | -22.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y92 N93 | Y92-A101 HydrophobicContact CD2-CB 4.41Å; N93-A101 HydrophobicContact CB-CB 4.07Å; N93-A101 PolarHBondContact ND2-O 3.07Å; N93-A101 VanDerWaalsContact ND2-O 3.07Å |
| 102 | R | 73.4 | Confident | 72 | Confident | 234 Ų | 234 | 78.6 Ų | 78.6 | 88% | 0.883 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -76.4 | -28.2 | 177.2 | -62.3 | -177.1 | 70 | -175.6 | 0.6 | 113 | L100 | L100-R102 PolarHBondContact O-N 3.42Š|
| 103 | D | 73.8 | Confident | 72.3 | Confident | 107 Ų | 107 | 76.7 Ų | 76.7 | 57% | 0.572 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -108.1 | 26.2 | -176.4 | -52 | -72.7 | 0 | 0 | 0 | 110.4 | L100 | L100-D103 CarbonylContact O-C 3.53Å; L100-D103 PolarHBondContact O-N 3.46Å |
| 104 | C | 75.6 | Confident | 72.4 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 10% | 0.095 | 42% | 0.416 | C | S | . | . | trans | -90.3 | 106.7 | -177.5 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | C91 N93 H99 L100 H106 A107 | C91-C104 VanDerWaalsContact SG-CB 3.54Å; N93-C104 HydrophobicContact CB-CB 4.16Å; H99-C104 VanDerWaalsContact CD2-CA 3.43Å; H99-C104 WeakPolarHBondContact CD2-CA 3.43Å; H99-C104 PolarHBondContact NE2-SG 3.34Å; H99-C104 VanDerWaalsContact NE2-SG 3.42Å; L100-C104 PolarHBondContact O-N 2.91Å; C104-H106 PolarHBondContact O-N 2.99Å; C104-A107 PolarHBondContact O-N 3.04Å | ||
| 105 | D | 73.6 | Confident | 72.6 | Confident | 150 Ų | 150 | 77.2 Ų | 77.2 | 80% | 0.802 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.7 | 174.3 | -61.9 | -62.6 | 0 | 0 | 0 | 113.2 | ||
| 106 | H | 66.4 | Low | 72.7 | Confident | 76 Ų | 76 | 77 Ų | 77 | 35% | 0.352 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 48 | 179.4 | -58 | 74.8 | 0 | 0 | 0 | 111.3 | C94 C104 D108 E109 | C94-H106 HydrophobicContact CB-CB 4.33Å; C104-H106 PolarHBondContact O-N 2.99Å; H106-D108 PolarHBondContact O-N 3.08Å; H106-E109 HydrophobicContact CB-CB 4.23Å; H106-E109 HydrophobicContact CB-CG 4.1Å; H106-E109 IonicContact CD2-OE1 2.91Å; H106-E109 IonicContact CD2-OE2 2.81Å; H106-E109 IonicContact CG-OE2 3.68Å; H106-E109 PolarHBondContact O-N 2.79Å; H106-E109 VanDerWaalsContact O-N 3.16Å |
| 107 | A | 61.5 | Low | 72.7 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -60.4 | -26.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | C104 E109 Q110 | C104-A107 PolarHBondContact O-N 3.04Å; A107-E109 VanDerWaalsContact C-N 3.25Å; A107-E109 PolarHBondContact O-N 3.33Å; A107-Q110 VanDerWaalsContact O-CB 3.29Å; A107-Q110 WeakPolarHBondContact O-CB 3.29Å; A107-Q110 WeakPolarHBondContact O-CG 3.36Å; A107-Q110 PolarHBondContact O-N 3.08Å; A107-Q110 PolarHBondContact O-NE2 3.21Å |
| 108 | D | 62.3 | Low | 72.7 | Confident | 126 Ų | 126 | 80.6 Ų | 80.6 | 67% | 0.674 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -68.6 | -23.9 | 178.8 | -13 | -86.8 | 0 | 0 | 0 | 112.4 | H106 Q110 | H106-D108 PolarHBondContact O-N 3.08Å; D108-Q110 PolarHBondContact O-N 3.48Å |
| 109 | E | 66.1 | Low | 72.6 | Confident | 75 Ų | 75 | 80 Ų | 80 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -81.6 | 16.6 | 171.1 | -62.8 | 179.9 | 168.5 | 0 | 0 | 112 | K96 H106 A107 K111 F118 | K96-E109 IonicContact NZ-OE1 3.85Å; K96-E109 IonicContact NZ-OE2 3.07Å; K96-E109 PolarHBondContact NZ-OE2 2.91Å; H106-E109 HydrophobicContact CB-CB 4.23Å; H106-E109 HydrophobicContact CB-CG 4.1Å; H106-E109 IonicContact CD2-OE1 2.91Å; H106-E109 IonicContact CD2-OE2 2.81Å; H106-E109 IonicContact CG-OE2 3.68Å; H106-E109 PolarHBondContact O-N 2.79Å; H106-E109 VanDerWaalsContact O-N 3.16Å; A107-E109 VanDerWaalsContact C-N 3.25Å; A107-E109 PolarHBondContact O-N 3.33Å; E109-K111 PolarHBondContact O-N 3.48Å; E109-K111 VanDerWaalsContact O-N 3.08Å; E109-F118 WeakPolarHBondContact O-CD1 3.48Å; E109-F118 WeakPolarHBondContact O-CE1 3.1Å |
| 110 | Q | 71.3 | Confident | 72.5 | Confident | 24 Ų | 24 | 80 Ų | 80 | 11% | 0.112 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 116.4 | 168.1 | -86.8 | -21.8 | -89.5 | 0 | 0 | 109.9 | N93 A107 D108 I121 | N93-Q110 PolarHBondContact O-NE2 3.15Å; N93-Q110 PolarHBondContact O-OE1 2.78Å; N93-Q110 PolarHBondContact OD1-OE1 3.34Å; A107-Q110 VanDerWaalsContact O-CB 3.29Å; A107-Q110 WeakPolarHBondContact O-CB 3.29Å; A107-Q110 WeakPolarHBondContact O-CG 3.36Å; A107-Q110 PolarHBondContact O-N 3.08Å; A107-Q110 PolarHBondContact O-NE2 3.21Å; D108-Q110 PolarHBondContact O-N 3.48Å; Q110-I121 HydrophobicContact CB-CG2 4.48Å; Q110-I121 HydrophobicContact CG-CG2 4.47Å |
| 111 | K | 73.4 | Confident | 72.7 | Confident | 109 Ų | 109 | 80 Ų | 80 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 133.8 | 165.1 | 69 | -176.5 | -179.8 | -175 | 0 | 109.8 | E109 Y113 F118 | E109-K111 PolarHBondContact O-N 3.48Å; E109-K111 VanDerWaalsContact O-N 3.08Å; K111-Y113 PolarHBondContact O-N 3.32Å; K111-F118 HydrophobicContact CB-CD1 4.01Å; K111-F118 HydrophobicContact CB-CE1 3.77Å; K111-F118 HydrophobicContact CB-CZ 4.21Å |
| 112 | C | 79.1 | Confident | 72.8 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.007 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 118.2 | 173.4 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | S114 C115 G116 E117 H120 C125 | C112-S114 PolarHBondContact O-N 3.45Å; C112-S114 PolarHBondContact SG-N 3.43Å; C112-C115 WeakPolarHBondContact CB-SG 3.31Å; C112-C115 PolarHBondContact O-N 3.23Å; C112-C115 PolarHBondContact SG-SG 3.07Å; C112-G116 VanDerWaalsContact O-CA 3.31Å; C112-G116 WeakPolarHBondContact O-CA 3.42Å; C112-G116 PolarHBondContact O-N 3.46Å; C112-E117 WeakPolarHBondContact CB-O 3.05Å; C112-E117 PolarHBondContact N-O 2.78Å; C112-H120 WeakPolarHBondContact CB-NE2 3.44Å; C112-H120 WeakPolarHBondContact CB-O 3.22Å; C112-H120 PolarHBondContact SG-NE2 2.83Å; C112-C125 WeakPolarHBondContact SG-CB 3.33Å; C112-C125 PolarHBondContact SG-SG 2.6Å |
| 113 | Y | 77.6 | Confident | 72.7 | Confident | 142 Ų | 142 | 81.8 Ų | 81.8 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.6 | 178.5 | -63.9 | -77.1 | 0 | 0 | 0 | 114.5 | Y92 K111 | Y92-Y113 PolarHBondContact O-OH 3.21Å; K111-Y113 PolarHBondContact O-N 3.32Å |
| 114 | S | 72.1 | Confident | 72.7 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 29% | 0.287 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -34.5 | 176.9 | -81.4 | 0 | 0 | 0 | 0 | 114.4 | C112 Q122 | C112-S114 PolarHBondContact O-N 3.45Å; C112-S114 PolarHBondContact SG-N 3.43Å; S114-Q122 WeakPolarHBondContact OG-CG 3.46Å; S114-Q122 PolarHBondContact OG-NE2 2.92Å |
| 115 | C | 74.4 | Confident | 72.9 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -9.3 | -175.4 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | C112 E117 H120 K127 | C112-C115 WeakPolarHBondContact CB-SG 3.31Å; C112-C115 PolarHBondContact O-N 3.23Å; C112-C115 PolarHBondContact SG-SG 3.07Å; C115-E117 HydrophobicContact CB-CG 4.48Å; C115-E117 PolarHBondContact O-N 3.12Å; C115-H120 PolarHBondContact SG-CE1 3.28Å; C115-H120 PolarHBondContact SG-NE2 2.93Å; C115-K127 HydrophobicContact CB-CB 3.88Å |
| 116 | G | 73.1 | Confident | 72.9 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 44% | 0.443 | 42% | 0.424 | S | S | . | . | trans | 80 | -8.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C112 | C112-G116 VanDerWaalsContact O-CA 3.31Å; C112-G116 WeakPolarHBondContact O-CA 3.42Å; C112-G116 PolarHBondContact O-N 3.46Å | ||
| 117 | E | 73.4 | Confident | 73.4 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | trans | -83.5 | 152.7 | -176.1 | -56.5 | -83 | 97.1 | 0 | 0 | 111.9 | C112 C115 K127 | C112-E117 WeakPolarHBondContact CB-O 3.05Å; C112-E117 PolarHBondContact N-O 2.78Å; C115-E117 HydrophobicContact CB-CG 4.48Å; C115-E117 PolarHBondContact O-N 3.12Å; E117-K127 HydrophobicContact CG-CD 4.4Å; E117-K127 IonicContact OE2-NZ 2.74Å; E117-K127 PolarHBondContact OE2-NZ 3.16Å | ||
| 118 | F | 73.8 | Confident | 74.4 | Confident | 140 Ų | 140 | 79.9 Ų | 79.9 | 61% | 0.614 | 42% | 0.416 | S | S | * | . | B | Isolated β-bridge | trans | -88.2 | 161.6 | 179.4 | -61.8 | -86.4 | 0 | 0 | 0 | 112.2 | E109 K111 | E109-F118 WeakPolarHBondContact O-CD1 3.48Å; E109-F118 WeakPolarHBondContact O-CE1 3.1Å; K111-F118 HydrophobicContact CB-CD1 4.01Å; K111-F118 HydrophobicContact CB-CE1 3.77Å; K111-F118 HydrophobicContact CB-CZ 4.21Å |
| 119 | G | 76.3 | Confident | 75.3 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 67% | 0.67 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 90.1 | 2.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 120 | H | 79.1 | Confident | 76 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 21% | 0.208 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -154.2 | 156.1 | 170.7 | 66.1 | -81.7 | 0 | 0 | 0 | 111.9 | C112 C115 D124 C125 | C112-H120 WeakPolarHBondContact CB-NE2 3.44Å; C112-H120 WeakPolarHBondContact CB-O 3.22Å; C112-H120 PolarHBondContact SG-NE2 2.83Å; C115-H120 PolarHBondContact SG-CE1 3.28Å; C115-H120 PolarHBondContact SG-NE2 2.93Å; H120-D124 HydrophobicContact CB-CB 4.48Å; H120-C125 WeakPolarHBondContact CD2-CA 3.16Å; H120-C125 PolarHBondContact NE2-SG 3.38Å; H120-C125 VanDerWaalsContact NE2-SG 3.36Å |
| 121 | I | 77.9 | Confident | 76.2 | Confident | 81 Ų | 81 | 84.4 Ų | 84.4 | 42% | 0.415 | 43% | 0.425 | S | S | . | . | trans | -91.4 | 165.3 | 175.5 | 60.4 | 168.2 | 0 | 0 | 0 | 111.3 | Q110 K123 D124 C125 | Q110-I121 HydrophobicContact CB-CG2 4.48Å; Q110-I121 HydrophobicContact CG-CG2 4.47Å; I121-K123 HydrophobicContact CD1-CB 4.02Å; I121-K123 HydrophobicContact CD1-CD 4.27Å; I121-K123 HydrophobicContact CD1-CG 4.33Å; I121-K123 HydrophobicContact CG1-CB 4.21Å; I121-K123 PolarHBondContact O-N 3.4Å; I121-D124 WeakPolarHBondContact CD1-OD2 3.48Å; I121-D124 HydrophobicContact CG1-CB 4.5Å; I121-D124 WeakPolarHBondContact CG1-OD2 3.4Å; I121-D124 PolarHBondContact O-N 3.07Å; I121-C125 PolarHBondContact O-N 3.44Å | ||
| 122 | Q | 73.9 | Confident | 76.2 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -51.3 | -31.6 | 179.4 | 173.4 | 171.3 | 77.2 | 0 | 0 | 113.8 | S114 C125 | S114-Q122 WeakPolarHBondContact OG-CG 3.46Å; S114-Q122 PolarHBondContact OG-NE2 2.92Å; Q122-C125 WeakPolarHBondContact O-CB 3.21Å |
| 123 | K | 72.8 | Confident | 76 | Confident | 189 Ų | 189 | 86.1 Ų | 86.1 | 82% | 0.822 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -68.6 | -35.1 | 179.1 | -67.1 | -175.6 | 177.1 | -179 | 0 | 113.2 | I121 | I121-K123 HydrophobicContact CD1-CB 4.02Å; I121-K123 HydrophobicContact CD1-CD 4.27Å; I121-K123 HydrophobicContact CD1-CG 4.33Å; I121-K123 HydrophobicContact CG1-CB 4.21Å; I121-K123 PolarHBondContact O-N 3.4Å |
| 124 | D | 74.1 | Confident | 75.9 | Confident | 109 Ų | 109 | 81.1 Ų | 81.1 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -100.4 | 13.3 | -177.1 | -56 | -71.5 | 0 | 0 | 0 | 111.7 | H120 I121 T126 | H120-D124 HydrophobicContact CB-CB 4.48Å; I121-D124 WeakPolarHBondContact CD1-OD2 3.48Å; I121-D124 HydrophobicContact CG1-CB 4.5Å; I121-D124 WeakPolarHBondContact CG1-OD2 3.4Å; I121-D124 PolarHBondContact O-N 3.07Å; D124-T126 PolarHBondContact O-N 3.29Å; D124-T126 VanDerWaalsContact O-N 3.14Å |
| 125 | C | 78.1 | Confident | 76.3 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 5% | 0.054 | 43% | 0.43 | C | S | . | . | trans | -76.6 | 102.1 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | C112 H120 I121 Q122 K127 V128 | C112-C125 WeakPolarHBondContact SG-CB 3.33Å; C112-C125 PolarHBondContact SG-SG 2.6Å; H120-C125 WeakPolarHBondContact CD2-CA 3.16Å; H120-C125 PolarHBondContact NE2-SG 3.38Å; H120-C125 VanDerWaalsContact NE2-SG 3.36Å; I121-C125 PolarHBondContact O-N 3.44Å; Q122-C125 WeakPolarHBondContact O-CB 3.21Å; C125-K127 PolarHBondContact O-N 2.76Å; C125-V128 HydrophobicContact CB-CB 4.48Å; C125-V128 WeakPolarHBondContact O-CB 3.39Å; C125-V128 VanDerWaalsContact O-CG1 3.31Å; C125-V128 WeakPolarHBondContact O-CG1 3.08Å; C125-V128 PolarHBondContact O-N 3.36Å; C125-V128 PolarHBondContact SG-N 2.87Å; C125-V128 VanDerWaalsContact SG-N 3.41Å | ||
| 126 | T | 75.1 | Confident | 76.6 | Confident | 110 Ų | 110 | 86 Ų | 86 | 68% | 0.675 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -19.1 | 172.1 | 54.9 | 0 | 0 | 0 | 0 | 113 | D124 V128 G137 | D124-T126 PolarHBondContact O-N 3.29Å; D124-T126 VanDerWaalsContact O-N 3.14Å; T126-V128 VanDerWaalsContact C-N 3.32Å; T126-G137 WeakPolarHBondContact O-CA 3.15Å; T126-G137 PolarHBondContact O-N 2.97Å |
| 127 | K | 75.9 | Confident | 76.9 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 10 | 176 | -65 | -178.3 | -175.4 | 175.5 | 0 | 113 | C115 E117 C125 K129 | C115-K127 HydrophobicContact CB-CB 3.88Å; E117-K127 HydrophobicContact CG-CD 4.4Å; E117-K127 IonicContact OE2-NZ 2.74Å; E117-K127 PolarHBondContact OE2-NZ 3.16Å; C125-K127 PolarHBondContact O-N 2.76Å; K127-K129 PolarHBondContact O-N 3.1Å |
| 128 | V | 83.5 | Confident | 77.2 | Confident | 20 Ų | 20 | 84 Ų | 84 | 12% | 0.121 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 122.7 | 177.9 | 67.6 | 0 | 0 | 0 | 0 | 109.7 | C125 T126 T136 G137 V139 | C125-V128 HydrophobicContact CB-CB 4.48Å; C125-V128 WeakPolarHBondContact O-CB 3.39Å; C125-V128 VanDerWaalsContact O-CG1 3.31Å; C125-V128 WeakPolarHBondContact O-CG1 3.08Å; C125-V128 PolarHBondContact O-N 3.36Å; C125-V128 PolarHBondContact SG-N 2.87Å; C125-V128 VanDerWaalsContact SG-N 3.41Å; T126-V128 VanDerWaalsContact C-N 3.32Å; V128-T136 CarbonylContact O-C 3.55Å; V128-T136 VanDerWaalsContact O-CA 3.29Å; V128-T136 WeakPolarHBondContact O-CA 3.3Å; V128-G137 PolarHBondContact O-N 2.87Å; V128-V139 HydrophobicContact CG1-CG1 4.2Å; V128-V139 HydrophobicContact CG2-CG1 4.11Å |
| 129 | K | 81.1 | Confident | 77.4 | Confident | 124 Ų | 124 | 80.3 Ų | 80.3 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 127 | 178.8 | -171.7 | 176.4 | -178.8 | 175.8 | 0 | 109.8 | K127 Y131 G134 T136 | K127-K129 PolarHBondContact O-N 3.1Å; K129-Y131 PolarHBondContact O-N 2.88Å; K129-G134 WeakPolarHBondContact CE-O 3.47Å; K129-G134 WeakPolarHBondContact CG-O 3.48Å; K129-T136 HydrophobicContact CB-CG2 4.24Å; K129-T136 HydrophobicContact CG-CG2 4.5Å |
| 130 | C | 79.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 117.5 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | R132 C133 G134 E135 H138 C143 | C130-R132 PolarHBondContact O-N 2.9Å; C130-R132 PolarHBondContact SG-N 3.44Å; C130-R132 VanDerWaalsContact SG-N 3.39Å; C130-C133 VanDerWaalsContact CB-SG 3.55Å; C130-C133 PolarHBondContact SG-N 3.26Å; C130-C133 VanDerWaalsContact SG-N 3.43Å; C130-C133 PolarHBondContact SG-SG 2.82Å; C130-G134 WeakPolarHBondContact O-CA 3.47Å; C130-G134 PolarHBondContact O-N 2.91Å; C130-E135 VanDerWaalsContact CB-O 3.23Å; C130-E135 WeakPolarHBondContact CB-O 3.44Å; C130-E135 PolarHBondContact N-O 3.07Å; C130-H138 VanDerWaalsContact CB-NE2 3.35Å; C130-H138 WeakPolarHBondContact CB-NE2 3.46Å; C130-H138 PolarHBondContact SG-NE2 3.09Å; C130-H138 VanDerWaalsContact SG-NE2 3.36Å; C130-C143 VanDerWaalsContact SG-CB 3.59Å; C130-C143 VanDerWaalsContact SG-SG 3.64Å |
| 131 | Y | 76 | Confident | 77.1 | Confident | 196 Ų | 196 | 82.6 Ų | 82.6 | 77% | 0.769 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.4 | 176.7 | -61.5 | -80.3 | 0 | 0 | 0 | 113.8 | K129 | K129-Y131 PolarHBondContact O-N 2.88Š|
| 132 | R | 72.4 | Confident | 76.9 | Confident | 111 Ų | 111 | 84 Ų | 84 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -48 | 176 | -70.4 | -177.8 | -158.1 | 163.1 | 9.4 | 112.8 | C130 A140 | C130-R132 PolarHBondContact O-N 2.9Å; C130-R132 PolarHBondContact SG-N 3.44Å; C130-R132 VanDerWaalsContact SG-N 3.39Å; R132-A140 HydrophobicContact CG-CB 3.96Å; R132-A140 PolarHBondContact NE-O 3.37Å; R132-A140 PolarHBondContact NH1-O 3.25Å; R132-A140 PolarHBondContact NH2-O 3.2Å |
| 133 | C | 76.3 | Confident | 77.1 | Confident | 34 Ų | 34 | 79.2 Ų | 79.2 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -8.1 | -176.3 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | C130 E135 H138 C143 K145 | C130-C133 VanDerWaalsContact CB-SG 3.55Å; C130-C133 PolarHBondContact SG-N 3.26Å; C130-C133 VanDerWaalsContact SG-N 3.43Å; C130-C133 PolarHBondContact SG-SG 2.82Å; C133-E135 PolarHBondContact O-N 3.09Å; C133-E135 PolarHBondContact SG-N 2.9Å; C133-H138 VanDerWaalsContact SG-CE1 3.53Å; C133-H138 PolarHBondContact SG-NE2 3.11Å; C133-H138 VanDerWaalsContact SG-NE2 3.41Å; C133-C143 VanDerWaalsContact SG-SG 3.67Å; C133-K145 HydrophobicContact CB-CB 4.24Å; C133-K145 HydrophobicContact CB-CD 3.97Å |
| 134 | G | 75.6 | Confident | 77.1 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 38% | 0.381 | 41% | 0.413 | S | S | . | . | trans | 76.9 | -4.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K129 C130 | K129-G134 WeakPolarHBondContact CE-O 3.47Å; K129-G134 WeakPolarHBondContact CG-O 3.48Å; C130-G134 WeakPolarHBondContact O-CA 3.47Å; C130-G134 PolarHBondContact O-N 2.91Å | ||
| 135 | E | 80.2 | Confident | 76.7 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 41% | 0.407 | 41% | 0.408 | S | S | . | . | trans | -81.2 | 149.4 | 178.4 | -64.2 | 173.6 | 134.8 | 0 | 0 | 111.5 | C130 C133 K145 | C130-E135 VanDerWaalsContact CB-O 3.23Å; C130-E135 WeakPolarHBondContact CB-O 3.44Å; C130-E135 PolarHBondContact N-O 3.07Å; C133-E135 PolarHBondContact O-N 3.09Å; C133-E135 PolarHBondContact SG-N 2.9Å; E135-K145 IonicContact OE1-NZ 3.58Å; E135-K145 PolarHBondContact OE1-NZ 3.43Å; E135-K145 WeakPolarHBondContact OE2-CE 3.4Å; E135-K145 IonicContact OE2-NZ 3.82Å; E135-K145 PolarHBondContact OE2-NZ 2.71Å | ||
| 136 | T | 79.9 | Confident | 76 | Confident | 94 Ų | 94 | 81 Ų | 81 | 58% | 0.577 | 44% | 0.44 | S | S | * | . | B | Isolated β-bridge | trans | -90.5 | 159.2 | 176.9 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | V128 K129 | V128-T136 CarbonylContact O-C 3.55Å; V128-T136 VanDerWaalsContact O-CA 3.29Å; V128-T136 WeakPolarHBondContact O-CA 3.3Å; K129-T136 HydrophobicContact CB-CG2 4.24Å; K129-T136 HydrophobicContact CG-CG2 4.5Å |
| 137 | G | 79.8 | Confident | 75.3 | Confident | 51 Ų | 51 | 80 Ų | 80 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 104 | -5.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T126 V128 | T126-G137 WeakPolarHBondContact O-CA 3.15Å; T126-G137 PolarHBondContact O-N 2.97Å; V128-G137 PolarHBondContact O-N 2.87Å |
| 138 | H | 80.3 | Confident | 74.6 | Confident | 44 Ų | 44 | 82.8 Ų | 82.8 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -151.8 | 153.4 | 174.6 | 64.7 | -82.9 | 0 | 0 | 0 | 112.1 | C130 C133 C143 | C130-H138 VanDerWaalsContact CB-NE2 3.35Å; C130-H138 WeakPolarHBondContact CB-NE2 3.46Å; C130-H138 PolarHBondContact SG-NE2 3.09Å; C130-H138 VanDerWaalsContact SG-NE2 3.36Å; C133-H138 VanDerWaalsContact SG-CE1 3.53Å; C133-H138 PolarHBondContact SG-NE2 3.11Å; C133-H138 VanDerWaalsContact SG-NE2 3.41Å; H138-C143 VanDerWaalsContact CD2-CA 3.41Å; H138-C143 WeakPolarHBondContact CD2-CA 3.03Å; H138-C143 WeakPolarHBondContact NE2-CA 3.31Å; H138-C143 WeakPolarHBondContact NE2-CB 3.42Å |
| 139 | V | 78.3 | Confident | 73.8 | Confident | 62 Ų | 62 | 83.4 Ų | 83.4 | 38% | 0.376 | 46% | 0.456 | S | S | . | . | trans | -79.3 | 153.7 | 171.7 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | V128 I141 N142 C143 | V128-V139 HydrophobicContact CG1-CG1 4.2Å; V128-V139 HydrophobicContact CG2-CG1 4.11Å; V139-I141 HydrophobicContact CG2-CB 4.15Å; V139-I141 PolarHBondContact O-N 2.9Å; V139-N142 HydrophobicContact CG2-CB 4.37Å; V139-N142 PolarHBondContact O-N 3.46Å; V139-C143 PolarHBondContact O-N 3.49Å | ||
| 140 | A | 74.3 | Confident | 73.1 | Confident | 22 Ų | 22 | 81.5 Ų | 81.5 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -48.2 | -31.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R132 N142 C143 | R132-A140 HydrophobicContact CG-CB 3.96Å; R132-A140 PolarHBondContact NE-O 3.37Å; R132-A140 PolarHBondContact NH1-O 3.25Å; R132-A140 PolarHBondContact NH2-O 3.2Å; A140-N142 VanDerWaalsContact C-N 3.34Å; A140-N142 PolarHBondContact O-N 2.93Å; A140-C143 WeakPolarHBondContact O-CB 3.31Å; A140-C143 PolarHBondContact O-N 3.48Å |
| 141 | I | 75.3 | Confident | 72.7 | Confident | 136 Ų | 136 | 81.6 Ų | 81.6 | 70% | 0.697 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -64.5 | -36.6 | 178.4 | -61.7 | 170.7 | 0 | 0 | 0 | 112.2 | V139 | V139-I141 HydrophobicContact CG2-CB 4.15Å; V139-I141 PolarHBondContact O-N 2.9Å |
| 142 | N | 73.1 | Confident | 72.5 | Confident | 110 Ų | 110 | 82.6 Ų | 82.6 | 59% | 0.588 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -100.7 | 21 | -177.4 | -62.8 | -23.7 | 0 | 0 | 0 | 112.2 | V139 A140 S144 | V139-N142 HydrophobicContact CG2-CB 4.37Å; V139-N142 PolarHBondContact O-N 3.46Å; A140-N142 VanDerWaalsContact C-N 3.34Å; A140-N142 PolarHBondContact O-N 2.93Å; N142-S144 PolarHBondContact O-N 3.3Å |
| 143 | C | 77.5 | Confident | 72.5 | Confident | 10 Ų | 10 | 83.4 Ų | 83.4 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | trans | -77.7 | 113.1 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | C130 C133 H138 V139 A140 K145 | C130-C143 VanDerWaalsContact SG-CB 3.59Å; C130-C143 VanDerWaalsContact SG-SG 3.64Å; C133-C143 VanDerWaalsContact SG-SG 3.67Å; H138-C143 VanDerWaalsContact CD2-CA 3.41Å; H138-C143 WeakPolarHBondContact CD2-CA 3.03Å; H138-C143 WeakPolarHBondContact NE2-CA 3.31Å; H138-C143 WeakPolarHBondContact NE2-CB 3.42Å; V139-C143 PolarHBondContact O-N 3.49Å; A140-C143 WeakPolarHBondContact O-CB 3.31Å; A140-C143 PolarHBondContact O-N 3.48Å; C143-K145 VanDerWaalsContact C-N 3.26Å; C143-K145 PolarHBondContact O-N 3.28Å | ||
| 144 | S | 73.1 | Confident | 72.4 | Confident | 115 Ų | 115 | 83.7 Ų | 83.7 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | trans | -71.4 | -17.6 | 179.3 | -43.5 | 0 | 0 | 0 | 0 | 113.7 | N142 T146 | N142-S144 PolarHBondContact O-N 3.3Å; S144-T146 PolarHBondContact O-N 3.3Å; S144-T146 VanDerWaalsContact O-N 3.11Å | ||
| 145 | K | 66.1 | Low | 72.2 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | trans | -79.3 | 91.4 | 172.4 | -72.1 | 176.1 | 177.8 | 167.3 | 0 | 108.8 | C133 E135 C143 S147 | C133-K145 HydrophobicContact CB-CB 4.24Å; C133-K145 HydrophobicContact CB-CD 3.97Å; E135-K145 IonicContact OE1-NZ 3.58Å; E135-K145 PolarHBondContact OE1-NZ 3.43Å; E135-K145 WeakPolarHBondContact OE2-CE 3.4Å; E135-K145 IonicContact OE2-NZ 3.82Å; E135-K145 PolarHBondContact OE2-NZ 2.71Å; C143-K145 VanDerWaalsContact C-N 3.26Å; C143-K145 PolarHBondContact O-N 3.28Å; K145-S147 PolarHBondContact O-N 3.5Å; K145-S147 VanDerWaalsContact O-N 3.11Å | ||
| 146 | T | 62.7 | Low | 71.6 | Confident | 119 Ų | 119 | 86 Ų | 86 | 73% | 0.73 | 48% | 0.477 | S | S | * | . | trans | -81.3 | 53.4 | 171.4 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | S144 E148 | S144-T146 PolarHBondContact O-N 3.3Å; S144-T146 VanDerWaalsContact O-N 3.11Å; T146-E148 PolarHBondContact O-N 3.38Å | ||
| 147 | S | 60.4 | Low | 71.1 | Confident | 88 Ų | 88 | 85.5 Ų | 85.5 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -79.1 | 106.6 | 169.9 | 52.7 | 0 | 0 | 0 | 0 | 108 | K145 | K145-S147 PolarHBondContact O-N 3.5Å; K145-S147 VanDerWaalsContact O-N 3.11Å |
| 148 | E | 60.9 | Low | 70.8 | Confident | 168 Ų | 168 | 86.6 Ų | 86.6 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | trans | 57.9 | 54.4 | 163.8 | -53.6 | -174.2 | 113.9 | 0 | 0 | 115.3 | T146 N150 | T146-E148 PolarHBondContact O-N 3.38Å; E148-N150 PolarHBondContact O-N 3.34Å | ||
| 149 | V | 66.4 | Low | 70.6 | Confident | 32 Ų | 32 | 86.6 Ų | 86.6 | 19% | 0.194 | 49% | 0.488 | C | S | . | . | trans | -69.3 | 104.3 | 168.7 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | S157 G158 L160 | V149-S157 WeakPolarHBondContact O-CA 3.31Å; V149-G158 PolarHBondContact O-N 2.69Å; V149-L160 HydrophobicContact CG1-CD2 3.91Å; V149-L160 HydrophobicContact CG1-CG 4.4Å | ||
| 150 | N | 67.8 | Low | 70.3 | Confident | 85 Ų | 85 | 87 Ų | 87 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -80.3 | 125.9 | 166.9 | -64.1 | -48.4 | 0 | 0 | 0 | 108.8 | E148 Y152 S157 | E148-N150 PolarHBondContact O-N 3.34Å; N150-Y152 PolarHBondContact O-N 3.09Å; N150-Y152 VanDerWaalsContact O-N 3.11Å; N150-S157 WeakPolarHBondContact OD1-CA 3.18Å; N150-S157 VanDerWaalsContact OD1-CB 3.26Å; N150-S157 WeakPolarHBondContact OD1-CB 3.46Å |
| 151 | C | 71.2 | Confident | 70.1 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.007 | 49% | 0.492 | C | S | . | . | trans | -64.9 | 112.8 | 174.6 | 175 | 0 | 0 | 0 | 0 | 109.3 | R153 C154 G155 E156 H159 C164 | C151-R153 PolarHBondContact O-N 2.98Å; C151-R153 PolarHBondContact SG-N 3.17Å; C151-C154 WeakPolarHBondContact CB-SG 3.18Å; C151-C154 PolarHBondContact O-N 2.75Å; C151-G155 VanDerWaalsContact O-CA 3.32Å; C151-G155 WeakPolarHBondContact O-CA 3.37Å; C151-G155 PolarHBondContact O-N 2.83Å; C151-E156 WeakPolarHBondContact CB-O 3.3Å; C151-E156 PolarHBondContact N-O 3.14Å; C151-H159 VanDerWaalsContact CB-NE2 3.26Å; C151-H159 WeakPolarHBondContact CB-NE2 3.27Å; C151-H159 PolarHBondContact SG-NE2 3.17Å; C151-C164 VanDerWaalsContact SG-CB 3.53Å; C151-C164 PolarHBondContact SG-SG 3.2Å | ||
| 152 | Y | 71.8 | Confident | 70 | Confident | 217 Ų | 217 | 92.3 Ų | 92.3 | 85% | 0.851 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.4 | 178.9 | -61.8 | -82.6 | 0 | 0 | 0 | 114.3 | N150 | N150-Y152 PolarHBondContact O-N 3.09Å; N150-Y152 VanDerWaalsContact O-N 3.11Å |
| 153 | R | 70.7 | Confident | 69.8 | Low | 129 Ų | 129 | 93.3 Ų | 93.3 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -43.4 | 176.6 | -170.8 | -175.5 | -66.4 | 159.3 | 0.9 | 112.4 | C151 A161 C164 I166 | C151-R153 PolarHBondContact O-N 2.98Å; C151-R153 PolarHBondContact SG-N 3.17Å; R153-A161 VanDerWaalsContact CZ-O 3.31Å; R153-A161 PolarHBondContact NH1-O 2.96Å; R153-A161 PolarHBondContact NH2-O 3.19Å; R153-C164 PolarHBondContact NH1-O 2.89Å; R153-I166 WeakPolarHBondContact CD-O 3.34Å |
| 154 | C | 75.6 | Confident | 69.7 | Low | 39 Ų | 39 | 93.4 Ų | 93.4 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -9.5 | -175.3 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | C151 E156 H159 I166 | C151-C154 WeakPolarHBondContact CB-SG 3.18Å; C151-C154 PolarHBondContact O-N 2.75Å; C154-E156 PolarHBondContact O-N 2.88Å; C154-H159 PolarHBondContact SG-CE1 3.44Å; C154-H159 PolarHBondContact SG-NE2 3.46Å; C154-H159 VanDerWaalsContact SG-NE2 3.37Å; C154-I166 HydrophobicContact CB-CB 4.34Å; C154-I166 HydrophobicContact CB-CD1 3.46Å; C154-I166 VanDerWaalsContact CB-CD1 3.46Å; C154-I166 HydrophobicContact CB-CG1 4.44Å |
| 155 | G | 70.3 | Confident | 69.8 | Low | 56 Ų | 56 | 94.2 Ų | 94.2 | 58% | 0.577 | 50% | 0.503 | S | S | * | . | trans | 77.3 | -2.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C151 | C151-G155 VanDerWaalsContact O-CA 3.32Å; C151-G155 WeakPolarHBondContact O-CA 3.37Å; C151-G155 PolarHBondContact O-N 2.83Å | ||
| 156 | E | 69 | Low | 70.2 | Confident | 118 Ų | 118 | 92.7 Ų | 92.7 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | trans | -83.2 | 143.8 | 178.3 | -65.3 | -168.3 | 120.9 | 0 | 0 | 112.3 | C151 C154 | C151-E156 WeakPolarHBondContact CB-O 3.3Å; C151-E156 PolarHBondContact N-O 3.14Å; C154-E156 PolarHBondContact O-N 2.88Å | ||
| 157 | S | 69.1 | Low | 70.2 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | B | Isolated β-bridge | trans | -80 | 146.8 | 176.1 | 55 | 0 | 0 | 0 | 0 | 111.3 | V149 N150 | V149-S157 WeakPolarHBondContact O-CA 3.31Å; N150-S157 WeakPolarHBondContact OD1-CA 3.18Å; N150-S157 VanDerWaalsContact OD1-CB 3.26Å; N150-S157 WeakPolarHBondContact OD1-CB 3.46Å |
| 158 | G | 73.6 | Confident | 69.9 | Low | 73 Ų | 73 | 95 Ų | 95 | 75% | 0.753 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 110.8 | 0.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V149 | V149-G158 PolarHBondContact O-N 2.69Š|
| 159 | H | 74.8 | Confident | 69.6 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 20% | 0.204 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -149.2 | 157.1 | 174.9 | 66 | -84.2 | 0 | 0 | 0 | 113.2 | C151 C154 C164 | C151-H159 VanDerWaalsContact CB-NE2 3.26Å; C151-H159 WeakPolarHBondContact CB-NE2 3.27Å; C151-H159 PolarHBondContact SG-NE2 3.17Å; C154-H159 PolarHBondContact SG-CE1 3.44Å; C154-H159 PolarHBondContact SG-NE2 3.46Å; C154-H159 VanDerWaalsContact SG-NE2 3.37Å; H159-C164 PolarHBondContact NE2-SG 3.29Å; H159-C164 VanDerWaalsContact NE2-SG 3.42Å |
| 160 | L | 71.8 | Confident | 68.4 | Low | 70 Ų | 70 | 100.4 Ų | 100.4 | 37% | 0.366 | 57% | 0.569 | S | S | . | * | trans | -80.6 | 151.7 | 174.4 | -72.2 | 159.3 | 0 | 0 | 0 | 110.7 | V149 R162 E163 C164 | V149-L160 HydrophobicContact CG1-CD2 3.91Å; V149-L160 HydrophobicContact CG1-CG 4.4Å; L160-R162 PolarHBondContact O-N 3.48Å; L160-E163 PolarHBondContact O-N 2.72Å; L160-C164 PolarHBondContact O-N 3.45Å | ||
| 161 | A | 72.1 | Confident | 68.4 | Low | 32 Ų | 32 | 101.2 Ų | 101.2 | 26% | 0.264 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -16.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R153 | R153-A161 VanDerWaalsContact CZ-O 3.31Å; R153-A161 PolarHBondContact NH1-O 2.96Å; R153-A161 PolarHBondContact NH2-O 3.19Å |
| 162 | R | 72.8 | Confident | 68.3 | Low | 238 Ų | 238 | 106.4 Ų | 106.4 | 90% | 0.898 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -26.8 | 174.2 | -63.3 | -177.5 | 69.2 | 158.7 | 0.6 | 113.2 | L160 | L160-R162 PolarHBondContact O-N 3.48Š|
| 163 | E | 68.4 | Low | 68.1 | Low | 132 Ų | 132 | 100.3 Ų | 100.3 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -103.7 | 6 | -178.4 | -60.4 | 174.4 | 120.1 | 0 | 0 | 111.1 | L160 T165 | L160-E163 PolarHBondContact O-N 2.72Å; E163-T165 PolarHBondContact O-N 2.78Å; E163-T165 VanDerWaalsContact O-N 3.17Å |
| 164 | C | 75.1 | Confident | 67.9 | Low | 11 Ų | 11 | 98.6 Ų | 98.6 | 7% | 0.074 | 60% | 0.597 | C | S | . | * | trans | -71.6 | 109.3 | 176.2 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | C151 R153 H159 L160 I166 | C151-C164 VanDerWaalsContact SG-CB 3.53Å; C151-C164 PolarHBondContact SG-SG 3.2Å; R153-C164 PolarHBondContact NH1-O 2.89Å; H159-C164 PolarHBondContact NE2-SG 3.29Å; H159-C164 VanDerWaalsContact NE2-SG 3.42Å; L160-C164 PolarHBondContact O-N 3.45Å; C164-I166 PolarHBondContact O-N 3.26Å | ||
| 165 | T | 75.9 | Confident | 67.5 | Low | 133 Ų | 133 | 102.3 Ų | 102.3 | 82% | 0.816 | 62% | 0.617 | S | S | * | * | trans | -78 | -8.2 | 177.2 | 51 | 0 | 0 | 0 | 0 | 113 | E163 E167 | E163-T165 PolarHBondContact O-N 2.78Å; E163-T165 VanDerWaalsContact O-N 3.17Å; T165-E167 PolarHBondContact O-N 3.35Å | ||
| 166 | I | 73 | Confident | 67.3 | Low | 79 Ų | 79 | 105.4 Ų | 105.4 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -79.1 | 109.2 | 175 | -55.6 | 167.8 | 0 | 0 | 0 | 107.5 | R153 C154 C164 A168 | R153-I166 WeakPolarHBondContact CD-O 3.34Å; C154-I166 HydrophobicContact CB-CB 4.34Å; C154-I166 HydrophobicContact CB-CD1 3.46Å; C154-I166 VanDerWaalsContact CB-CD1 3.46Å; C154-I166 HydrophobicContact CB-CG1 4.44Å; C164-I166 PolarHBondContact O-N 3.26Å; I166-A168 PolarHBondContact O-N 2.7Å |
| 167 | E | 63.5 | Low | 67.2 | Low | 174 Ų | 174 | 104.5 Ų | 104.5 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | trans | -62.5 | 133.2 | 172.8 | -63.5 | -156.2 | 115.5 | 0 | 0 | 109.5 | T165 T169 | T165-E167 PolarHBondContact O-N 3.35Å; E167-T169 PolarHBondContact O-N 2.9Å | ||
| 168 | A | 54.7 | Low | 67 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 66% | 0.661 | 63% | 0.628 | S | S | * | * | trans | -64.9 | 101.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | I166 A170 | I166-A168 PolarHBondContact O-N 2.7Å; A168-A170 PolarHBondContact O-N 3.42Å | ||
| 169 | T | 54.8 | Low | 66.5 | Low | 140 Ų | 140 | 108.9 Ų | 108.9 | 86% | 0.859 | 62% | 0.618 | S | S | * | * | trans | -67.8 | 118.6 | 167.3 | 51.3 | 0 | 0 | 0 | 0 | 108.1 | E167 | E167-T169 PolarHBondContact O-N 2.9Š| ||
| 170 | A | 40.8 | Very low | 65.7 | Low | 174 Ų | 174 | 114.8 Ų | 114.8 | 100% | 1.438 | 66% | 0.656 | S | S | * | * | trans | -58.4 | 0 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | A168 | A168-A170 PolarHBondContact O-N 3.42Š|
Retrieved 170 of 170 residues in 236.1 ms
(Link to these results)