| 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 | 36.6 | Very low | 38.5 | Very low | 232 Ų | 232 | 172 Ų | 172 | 100% | 1.143 | 80% | 0.799 | S | S | * | * | 0 | 86.2 | 0 | -77.4 | -164.2 | -168.8 | 0 | 0 | 105.2 | |||||
| 2 | D | 36.1 | Very low | 38 | Very low | 160 Ų | 160 | 178.8 Ų | 178.8 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -95.9 | 116.3 | -174.7 | -55.5 | -62.5 | 0 | 0 | 0 | 107.5 | P4 | D2-P4 WeakPolarHBondContact O-CD 3.48Š| ||
| 3 | I | 37.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 170.5 Ų | 170.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -80.2 | 117.2 | -179.3 | -59.5 | 162.9 | 0 | 0 | 0 | 106.6 | I5 | I3-I5 PolarHBondContact O-N 3.11Š| ||
| 4 | P | 35.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 171.7 Ų | 171.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -71.8 | 112.7 | 173.3 | 28.6 | -31.2 | 0 | 0 | 0 | 108.5 | D2 Q6 | D2-P4 WeakPolarHBondContact O-CD 3.48Å; P4-Q6 VanDerWaalsContact C-N 3.32Å; P4-Q6 PolarHBondContact O-N 3.48Å | ||
| 5 | I | 36.4 | Very low | 36.6 | Very low | 126 Ų | 126 | 172.7 Ų | 172.7 | 65% | 0.646 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 90.8 | 171 | -57.2 | 176.9 | 0 | 0 | 0 | 107.4 | I3 Y7 | I3-I5 PolarHBondContact O-N 3.11Å; I5-Y7 HydrophobicContact CG2-CD2 3.27Å; I5-Y7 HydrophobicContact CG2-CE2 3.06Å; I5-Y7 HydrophobicContact CG2-CG 4.16Å | ||
| 6 | Q | 39.3 | Very low | 35.9 | Very low | 174 Ų | 174 | 167.2 Ų | 167.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -76.3 | 115.6 | 155.6 | -81.3 | -170.9 | -46.2 | 0 | 0 | 108.2 | P4 | P4-Q6 VanDerWaalsContact C-N 3.32Å; P4-Q6 PolarHBondContact O-N 3.48Å | ||
| 7 | Y | 38.9 | Very low | 36.2 | Very low | 196 Ų | 196 | 171 Ų | 171 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -108.7 | 113.5 | 153.9 | -72.5 | -60.7 | 0 | 0 | 0 | 109.2 | I5 | I5-Y7 HydrophobicContact CG2-CD2 3.27Å; I5-Y7 HydrophobicContact CG2-CE2 3.06Å; I5-Y7 HydrophobicContact CG2-CG 4.16Å | ||
| 8 | P | 43 | Very low | 35.8 | Very low | 87 Ų | 87 | 171.9 Ų | 171.9 | 57% | 0.565 | 80% | 0.795 | S | S | * | * | trans | -98.6 | 113.7 | -175.5 | 35.3 | -27.9 | 0 | 0 | 0 | 110.7 | Y10 | P8-Y10 HydrophobicContact CB-CD2 3.61Å; P8-Y10 HydrophobicContact CB-CE2 3.6Å; P8-Y10 HydrophobicContact CG-CE2 4.31Å | ||
| 9 | W | 43 | Very low | 35.5 | Very low | 241 Ų | 241 | 168.2 Ų | 168.2 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -119.2 | 40 | 154.8 | 45.1 | -89.6 | 0 | 0 | 0 | 110.9 | ||||
| 10 | Y | 39.5 | Very low | 36 | Very low | 191 Ų | 191 | 168 Ų | 168 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 40.3 | 91.6 | 148.3 | -93.3 | -85.8 | 0 | 0 | 0 | 117.6 | P8 R12 | P8-Y10 HydrophobicContact CB-CD2 3.61Å; P8-Y10 HydrophobicContact CB-CE2 3.6Å; P8-Y10 HydrophobicContact CG-CE2 4.31Å; Y10-R12 PolarHBondContact O-N 3.36Å | ||
| 11 | R | 38 | Very low | 36.2 | Very low | 225 Ų | 225 | 168 Ų | 168 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | -9.4 | 108.1 | 124.1 | -165.1 | -161.9 | -65.9 | -97.4 | 6.7 | 112.9 | A13 | R11-A13 PolarHBondContact O-N 3.31Š| |||
| 12 | R | 33.2 | Very low | 36.5 | Very low | 254 Ų | 254 | 161.4 Ų | 161.4 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 114.7 | 160.2 | -90.3 | -167.3 | -89 | -174.9 | -7.8 | 109.1 | Y10 | Y10-R12 PolarHBondContact O-N 3.36Š| ||
| 13 | A | 35.9 | Very low | 36.5 | Very low | 70 Ų | 70 | 161.5 Ų | 161.5 | 58% | 0.579 | 78% | 0.775 | S | S | * | * | trans | -153 | 138 | 158.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | R11 | R11-A13 PolarHBondContact O-N 3.31Š| ||
| 14 | F | 32.4 | Very low | 36.4 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | cis | -171.7 | 159.2 | 38.5 | -122.3 | -81.2 | 0 | 0 | 0 | 110 | ||||
| 15 | Q | 24.7 | Very low | 36.8 | Very low | 186 Ų | 186 | 161 Ų | 161 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | -179.9 | 139 | 127.7 | -98 | -179.5 | -9 | 0 | 0 | 107.1 | |||||
| 16 | S | 25.7 | Very low | 37.2 | Very low | 85 Ų | 85 | 160.4 Ų | 160.4 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | cis | -168.6 | 145.5 | -10.1 | 35.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 17 | R | 40.9 | Very low | 37.6 | Very low | 232 Ų | 232 | 158.9 Ų | 158.9 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -23.1 | 130.9 | 158.3 | -113.4 | 178.6 | -178.3 | -153.5 | 1.1 | 115.2 | ||||
| 18 | F | 29.3 | Very low | 37.9 | Very low | 188 Ų | 188 | 154 Ų | 154 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -154.5 | 93.9 | 136.7 | -79.2 | -69.1 | 0 | 0 | 0 | 105.8 | ||||
| 19 | S | 29.6 | Very low | 37.7 | Very low | 100 Ų | 100 | 156.9 Ų | 156.9 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | 86.6 | 121.6 | 95.7 | 51.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 20 | D | 44.6 | Very low | 38.2 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -42.2 | 134.6 | 170.3 | -72.1 | -59.8 | 0 | 0 | 0 | 112.9 | ||||
| 21 | L | 41.4 | Very low | 38.6 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | -131.4 | 120.6 | 150.3 | -90.6 | 167.4 | 0 | 0 | 0 | 108.7 | ||||
| 22 | S | 42 | Very low | 39.3 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -51.4 | 172.3 | 170.2 | 55.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | L | 36.7 | Very low | 39.6 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 104.7 | 115 | 142 | -98.7 | 151.5 | 0 | 0 | 0 | 117.7 | ||||
| 24 | A | 35.5 | Very low | 39.7 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 82.7 | 104.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 25 | E | 42.6 | Very low | 40.3 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -40.3 | 148.9 | 135 | -91 | -131.7 | 135.1 | 0 | 0 | 111.8 | ||||
| 26 | P | 44.9 | Very low | 41.2 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | -147.9 | 157.6 | 80.5 | 34.9 | -14.8 | 0 | 0 | 0 | 117 | A28 | P26-A28 PolarHBondContact O-N 2.92Š| |||
| 27 | L | 47.8 | Very low | 42 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -26.8 | 123 | 151.4 | -75.4 | 114.1 | 0 | 0 | 0 | 113.1 | ||||
| 28 | A | 45.5 | Very low | 42.1 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -144.1 | 115.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P26 | P26-A28 PolarHBondContact O-N 2.92Š| ||
| 29 | D | 37.6 | Very low | 42.8 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -48.1 | 136.1 | 178.5 | -65.6 | -60 | 0 | 0 | 0 | 111.9 | P31 | D29-P31 WeakPolarHBondContact O-CD 3.34Š| ||
| 30 | W | 54.3 | Low | 43.3 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -55.8 | 134.2 | 160.1 | 125.9 | -75.3 | 0 | 0 | 0 | 108.7 | L32 | W30-L32 HydrophobicContact CH2-CD2 3.75Å; W30-L32 HydrophobicContact CH2-CG 4.13Å; W30-L32 HydrophobicContact CZ2-CD2 3.82Å; W30-L32 HydrophobicContact CZ2-CG 3.97Å | ||
| 31 | P | 48.6 | Very low | 43.3 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | -143.8 | 143.2 | 118.4 | 31.9 | -15 | 0 | 0 | 0 | 113.4 | D29 | D29-P31 WeakPolarHBondContact O-CD 3.34Š| |||
| 32 | L | 52.7 | Low | 43.6 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | trans | 41.5 | 111.4 | 138.5 | -59.4 | 167.4 | 0 | 0 | 0 | 117.7 | W30 | W30-L32 HydrophobicContact CH2-CD2 3.75Å; W30-L32 HydrophobicContact CH2-CG 4.13Å; W30-L32 HydrophobicContact CZ2-CD2 3.82Å; W30-L32 HydrophobicContact CZ2-CG 3.97Å | ||
| 33 | V | 39.3 | Very low | 43.8 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 171.4 | 93.3 | 134.2 | 160 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 34 | W | 38.6 | Very low | 44.4 | Very low | 235 Ų | 235 | 147.8 Ų | 147.8 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | 115.4 | 158.6 | 88.7 | -90.1 | 32.4 | 0 | 0 | 0 | 111.8 | |||||
| 35 | P | 43 | Very low | 44.8 | Very low | 97 Ų | 97 | 147 Ų | 147 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | trans | -92.6 | 157.5 | -157.9 | 37.8 | -32.9 | 0 | 0 | 0 | 112.7 | ||||
| 36 | F | 45.2 | Very low | 45.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 66.8 | 100.8 | 175.1 | -75 | -94.1 | 0 | 0 | 0 | 117.6 | ||||
| 37 | S | 41.7 | Very low | 45.3 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -120.7 | 93.6 | 148.6 | 53.2 | 0 | 0 | 0 | 0 | 110 | S39 | S37-S39 PolarHBondContact O-N 2.98Å; S37-S39 VanDerWaalsContact O-N 3.1Å | ||
| 38 | W | 42.3 | Very low | 45.3 | Very low | 237 Ų | 237 | 144 Ų | 144 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | -80.4 | 66.7 | 168 | -154.4 | -10.4 | 0 | 0 | 0 | 108 | ||||
| 39 | S | 44.9 | Very low | 45.5 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -165.9 | 57.7 | 178.4 | -73.2 | 0 | 0 | 0 | 0 | 112.9 | S37 | S37-S39 PolarHBondContact O-N 2.98Å; S37-S39 VanDerWaalsContact O-N 3.1Å | ||
| 40 | F | 39.8 | Very low | 45.8 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 60% | 0.596 | 73% | 0.726 | S | S | * | * | trans | -143.1 | 96.5 | 159.9 | -94.3 | -83.4 | 0 | 0 | 0 | 109.3 | W42 | F40-W42 AromaticContact CD1-CD2 3.88Å; F40-W42 HydrophobicContact CD1-CD2 3.88Å; F40-W42 AromaticContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CG 4.47Å; F40-W42 HydrophobicContact CD1-CH2 4.36Å; F40-W42 HydrophobicContact CD1-CZ2 4.5Å; F40-W42 HydrophobicContact CD1-CZ3 4Å; F40-W42 HydrophobicContact CE1-CD2 4.28Å; F40-W42 AromaticContact CE1-CE3 3.73Å; F40-W42 HydrophobicContact CE1-CE3 3.73Å; F40-W42 AromaticContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CZ2 4.42Å; F40-W42 AromaticContact CE1-CZ3 3.54Å; F40-W42 HydrophobicContact CE1-CZ3 3.54Å; F40-W42 PolarHBondContact O-N 3.48Å | ||
| 41 | P | 44.3 | Very low | 45.1 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 13.8 | 176.4 | 23.8 | -22.5 | 0 | 0 | 0 | 113.4 | ||
| 42 | W | 48.2 | Very low | 45 | Very low | 201 Ų | 201 | 151 Ų | 151 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -4 | -169.9 | -25.2 | -33.6 | 0 | 0 | 0 | 113.3 | F40 | F40-W42 AromaticContact CD1-CD2 3.88Å; F40-W42 HydrophobicContact CD1-CD2 3.88Å; F40-W42 AromaticContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CG 4.47Å; F40-W42 HydrophobicContact CD1-CH2 4.36Å; F40-W42 HydrophobicContact CD1-CZ2 4.5Å; F40-W42 HydrophobicContact CD1-CZ3 4Å; F40-W42 HydrophobicContact CE1-CD2 4.28Å; F40-W42 AromaticContact CE1-CE3 3.73Å; F40-W42 HydrophobicContact CE1-CE3 3.73Å; F40-W42 AromaticContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CZ2 4.42Å; F40-W42 AromaticContact CE1-CZ3 3.54Å; F40-W42 HydrophobicContact CE1-CZ3 3.54Å; F40-W42 PolarHBondContact O-N 3.48Å |
| 43 | M | 46 | Very low | 44.7 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | -100.4 | 91.1 | 161.7 | -78.3 | -152.6 | 173.3 | 0 | 0 | 107.9 | P45 | M43-P45 WeakPolarHBondContact O-CD 3.18Š| ||
| 44 | R | 49.7 | Very low | 45.1 | Very low | 228 Ų | 228 | 151.3 Ų | 151.3 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -67.3 | 107.1 | 155.7 | -138.5 | -174.7 | -177.6 | -151.2 | -0.6 | 104.6 | S46 | R44-S46 PolarHBondContact O-N 3.18Š| ||
| 45 | P | 44 | Very low | 45.7 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 46% | 0.461 | 69% | 0.691 | S | S | . | * | trans | -66.7 | 129.6 | -178 | 20.5 | -15.7 | 0 | 0 | 0 | 106.9 | M43 F47 M48 | M43-P45 WeakPolarHBondContact O-CD 3.18Å; P45-F47 HydrophobicContact CB-CB 4.14Å; P45-F47 PolarHBondContact O-N 3.25Å; P45-M48 PolarHBondContact O-N 2.83Å | ||
| 46 | S | 52.1 | Low | 46.3 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -18.7 | 173.6 | -46 | 0 | 0 | 0 | 0 | 112.4 | R44 M48 R49 W50 | R44-S46 PolarHBondContact O-N 3.18Å; S46-M48 VanDerWaalsContact C-N 3.29Å; S46-M48 PolarHBondContact O-N 3.3Å; S46-R49 WeakPolarHBondContact O-CB 2.99Å; S46-R49 PolarHBondContact O-N 3.45Å; S46-W50 PolarHBondContact O-N 3.13Å |
| 47 | F | 45.9 | Very low | 47 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 53% | 0.526 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -56.7 | -31.7 | 170.5 | -168.5 | -115.7 | 0 | 0 | 0 | 114.5 | P45 W50 F51 | P45-F47 HydrophobicContact CB-CB 4.14Å; P45-F47 PolarHBondContact O-N 3.25Å; F47-W50 HydrophobicContact CD2-CE3 4.31Å; F47-W50 HydrophobicContact CE2-CE3 4.29Å; F47-W50 WeakPolarHBondContact O-CA 3.2Å; F47-W50 WeakPolarHBondContact O-CB 3.12Å; F47-W50 PolarHBondContact O-N 2.76Å; F47-F51 HydrophobicContact CD1-CD2 4.3Å; F47-F51 HydrophobicContact CD1-CE2 4.19Å; F47-F51 HydrophobicContact CE1-CD2 4.03Å; F47-F51 AromaticContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE1-CE2 3.47Å; F47-F51 VanDerWaalsContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CE2 4.32Å; F47-F51 HydrophobicContact CZ-CD2 4.3Å; F47-F51 AromaticContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CZ 4.49Å; F47-F51 PolarHBondContact O-N 3.21Å |
| 48 | M | 48.3 | Very low | 48.6 | Very low | 129 Ų | 129 | 134 Ų | 134 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.6 | -20 | 173.3 | -80.2 | -170.9 | 170.9 | 0 | 0 | 113.5 | P45 S46 | P45-M48 PolarHBondContact O-N 2.83Å; S46-M48 VanDerWaalsContact C-N 3.29Å; S46-M48 PolarHBondContact O-N 3.3Å |
| 49 | R | 49.2 | Very low | 50.8 | Low | 216 Ų | 216 | 125.2 Ų | 125.2 | 82% | 0.815 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.8 | -20 | 166.5 | -164.8 | 175.7 | 179.5 | -170.6 | -3.2 | 111.2 | S46 | S46-R49 WeakPolarHBondContact O-CB 2.99Å; S46-R49 PolarHBondContact O-N 3.45Å |
| 50 | W | 43.3 | Very low | 53.1 | Low | 210 Ų | 210 | 124.9 Ų | 124.9 | 80% | 0.795 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -80.7 | -29.2 | 174.1 | -123.3 | 36.4 | 0 | 0 | 0 | 113.3 | S46 F47 N52 | S46-W50 PolarHBondContact O-N 3.13Å; F47-W50 HydrophobicContact CD2-CE3 4.31Å; F47-W50 HydrophobicContact CE2-CE3 4.29Å; F47-W50 WeakPolarHBondContact O-CA 3.2Å; F47-W50 WeakPolarHBondContact O-CB 3.12Å; F47-W50 PolarHBondContact O-N 2.76Å; W50-N52 VanDerWaalsContact C-N 3.28Å; W50-N52 PolarHBondContact O-N 2.91Å |
| 51 | F | 40.3 | Very low | 55.6 | Low | 152 Ų | 152 | 122.8 Ų | 122.8 | 67% | 0.667 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -5.4 | 176.7 | -97 | -81.1 | 0 | 0 | 0 | 115.1 | F47 | F47-F51 HydrophobicContact CD1-CD2 4.3Å; F47-F51 HydrophobicContact CD1-CE2 4.19Å; F47-F51 HydrophobicContact CE1-CD2 4.03Å; F47-F51 AromaticContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE1-CE2 3.47Å; F47-F51 VanDerWaalsContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CE2 4.32Å; F47-F51 HydrophobicContact CZ-CD2 4.3Å; F47-F51 AromaticContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CZ 4.49Å; F47-F51 PolarHBondContact O-N 3.21Å |
| 52 | N | 45.8 | Very low | 57.8 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 47.6 | -178.1 | -123.9 | 37 | 0 | 0 | 0 | 113 | W50 | W50-N52 VanDerWaalsContact C-N 3.28Å; W50-N52 PolarHBondContact O-N 2.91Å |
| 53 | W | 47.6 | Very low | 59.8 | Low | 160 Ų | 160 | 118 Ų | 118 | 61% | 0.606 | 55% | 0.553 | S | S | * | * | trans | -132.4 | 112.9 | 164.6 | -154.4 | -75.1 | 0 | 0 | 0 | 107.4 | ||||
| 54 | P | 47.2 | Very low | 61.8 | Low | 96 Ų | 96 | 114 Ų | 114 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | cis | -126.9 | 117.9 | 18.2 | 34.4 | -14.2 | 0 | 0 | 0 | 113.8 | N56 | P54-N56 HydrophobicContact CB-CB 4.04Å; P54-N56 VanDerWaalsContact CB-OD1 3.26Å; P54-N56 WeakPolarHBondContact CB-OD1 3.41Å; P54-N56 PolarHBondContact O-N 3.15Å; P54-N56 VanDerWaalsContact O-N 3.16Å | ||
| 55 | E | 50.5 | Low | 63.5 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | trans | -82.5 | 60.2 | 149.9 | -77 | -173.9 | 136.9 | 0 | 0 | 108.5 | H58 | E55-H58 VanDerWaalsContact CG-NE2 3.34Å; E55-H58 WeakPolarHBondContact CG-NE2 3.34Å; E55-H58 IonicContact OE1-CD2 2.81Å; E55-H58 IonicContact OE1-CE1 3.79Å; E55-H58 IonicContact OE1-NE2 2.75Å; E55-H58 PolarHBondContact OE1-NE2 2.87Å; E55-H58 IonicContact OE2-NE2 3.65Å | ||
| 56 | N | 56.3 | Low | 65.5 | Low | 49 Ų | 49 | 113 Ų | 113 | 26% | 0.262 | 53% | 0.532 | S | S | . | . | trans | -91.3 | 120.2 | 176.5 | -75.9 | 52.2 | 0 | 0 | 0 | 108.7 | P54 H76 R113 | P54-N56 HydrophobicContact CB-CB 4.04Å; P54-N56 VanDerWaalsContact CB-OD1 3.26Å; P54-N56 WeakPolarHBondContact CB-OD1 3.41Å; P54-N56 PolarHBondContact O-N 3.15Å; P54-N56 VanDerWaalsContact O-N 3.16Å; N56-H76 PolarHBondContact ND2-CD2 2.9Å; N56-R113 PolarHBondContact O-NH2 2.78Å | ||
| 57 | G | 60.5 | Low | 67.3 | Low | 10 Ų | 10 | 113.8 Ų | 113.8 | 10% | 0.103 | 52% | 0.519 | C | S | . | . | trans | 75.9 | 57.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S59 R113 | G57-S59 PolarHBondContact O-N 2.73Å; G57-S59 VanDerWaalsContact O-N 3.09Å; G57-R113 VanDerWaalsContact C-NH2 3.34Å; G57-R113 VanDerWaalsContact CA-NH2 3.33Å; G57-R113 PolarHBondContact O-NH1 2.85Å; G57-R113 PolarHBondContact O-NH2 3.43Å | ||
| 58 | H | 75.2 | Confident | 69.6 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | trans | -60.9 | 117.6 | 152.2 | -86.5 | -62.7 | 0 | 0 | 0 | 107.3 | E55 D73 | E55-H58 VanDerWaalsContact CG-NE2 3.34Å; E55-H58 WeakPolarHBondContact CG-NE2 3.34Å; E55-H58 IonicContact OE1-CD2 2.81Å; E55-H58 IonicContact OE1-CE1 3.79Å; E55-H58 IonicContact OE1-NE2 2.75Å; E55-H58 PolarHBondContact OE1-NE2 2.87Å; E55-H58 IonicContact OE2-NE2 3.65Å; H58-D73 HydrophobicContact CB-CB 4.48Å; H58-D73 PolarHBondContact O-N 2.82Å | ||
| 59 | S | 87.8 | Confident | 71.8 | Confident | 52 Ų | 52 | 102.2 Ų | 102.2 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.2 | 172.3 | 65 | 0 | 0 | 0 | 0 | 110.7 | G57 Y71 R113 Y115 | G57-S59 PolarHBondContact O-N 2.73Å; G57-S59 VanDerWaalsContact O-N 3.09Å; S59-Y71 CarbonylContact C-O 3.59Å; S59-Y71 WeakPolarHBondContact CA-O 3.29Å; S59-R113 PolarHBondContact OG-NH1 2.84Å; S59-Y115 WeakPolarHBondContact CB-OH 3.14Å; S59-Y115 PolarHBondContact OG-OH 2.86Å |
| 60 | E | 92.1 | Very high | 74 | Confident | 94 Ų | 94 | 92 Ų | 92 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.3 | 174.7 | -167.7 | -177.8 | 168.2 | 0 | 0 | 108.8 | R62 I70 Y71 | E60-R62 VanDerWaalsContact CD-NH2 3.32Å; E60-R62 HydrophobicContact CG-CG 4.44Å; E60-R62 IonicContact OE1-CZ 3.18Å; E60-R62 IonicContact OE1-NE 2.73Å; E60-R62 PolarHBondContact OE1-NE 3.42Å; E60-R62 IonicContact OE1-NH2 2.78Å; E60-R62 PolarHBondContact OE1-NH2 3.36Å; E60-R62 IonicContact OE2-CZ 3.9Å; E60-R62 IonicContact OE2-NE 3.92Å; E60-R62 IonicContact OE2-NH2 3.15Å; E60-R62 PolarHBondContact OE2-NH2 3.35Å; E60-R62 VanDerWaalsContact OE2-NH2 3.15Å; E60-I70 WeakPolarHBondContact O-CA 3.08Å; E60-Y71 HydrophobicContact CB-CD2 4.49Å; E60-Y71 PolarHBondContact N-O 2.77Å; E60-Y71 PolarHBondContact O-N 2.94Å |
| 61 | M | 92.3 | Very high | 76.4 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.5 | 179 | 175.6 | 177.7 | 158.8 | 0 | 0 | 108.2 | M63 F68 | M61-M63 HydrophobicContact CE-CE 3.56Å; M61-F68 HydrophobicContact CE-CD2 4.27Å; M61-F68 HydrophobicContact CE-CE1 4.49Å; M61-F68 HydrophobicContact CE-CE2 3.09Å; M61-F68 HydrophobicContact CE-CZ 3.25Å; M61-F68 HydrophobicContact CG-CD2 4.49Å; M61-F68 HydrophobicContact CG-CE2 3.26Å; M61-F68 HydrophobicContact CG-CZ 3.44Å; M61-F68 VanDerWaalsContact CG-CZ 3.44Å; M61-F68 HydrophobicContact SD-CE2 3.71Å; M61-F68 HydrophobicContact SD-CZ 3.53Å; M61-F68 VanDerWaalsContact SD-CZ 3.53Å |
| 62 | R | 92.4 | Very high | 79.1 | Confident | 112 Ų | 112 | 78.1 Ų | 78.1 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.9 | 179.1 | -63.8 | -167.6 | -178.3 | 163.9 | 5.5 | 110.5 | E60 F68 V69 Y71 | E60-R62 VanDerWaalsContact CD-NH2 3.32Å; E60-R62 HydrophobicContact CG-CG 4.44Å; E60-R62 IonicContact OE1-CZ 3.18Å; E60-R62 IonicContact OE1-NE 2.73Å; E60-R62 PolarHBondContact OE1-NE 3.42Å; E60-R62 IonicContact OE1-NH2 2.78Å; E60-R62 PolarHBondContact OE1-NH2 3.36Å; E60-R62 IonicContact OE2-CZ 3.9Å; E60-R62 IonicContact OE2-NE 3.92Å; E60-R62 IonicContact OE2-NH2 3.15Å; E60-R62 PolarHBondContact OE2-NH2 3.35Å; E60-R62 VanDerWaalsContact OE2-NH2 3.15Å; R62-F68 WeakPolarHBondContact O-CD2 3.22Å; R62-V69 PolarHBondContact N-O 2.81Å; R62-V69 PolarHBondContact O-N 3.16Å; R62-Y71 HydrophobicContact CG-CE2 4.36Å |
| 63 | M | 89.6 | Confident | 81.3 | Confident | 106 Ų | 106 | 74.3 Ų | 74.3 | 52% | 0.522 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.9 | 167 | -67.5 | -129.3 | 179.2 | 0 | 0 | 108.3 | M61 F68 P118 | M61-M63 HydrophobicContact CE-CE 3.56Å; M63-F68 HydrophobicContact CE-CD2 4.11Å; M63-F68 HydrophobicContact CE-CE2 4.04Å; M63-F68 HydrophobicContact CG-CD2 3.93Å; M63-F68 HydrophobicContact CG-CE2 4.18Å; M63-F68 HydrophobicContact SD-CD2 4.37Å; M63-P118 HydrophobicContact CE-CB 3.97Å; M63-P118 HydrophobicContact CE-CG 4.23Å; M63-P118 HydrophobicContact SD-CB 4.39Å |
| 64 | E | 88.6 | Confident | 83.5 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | trans | -95.2 | 175.1 | 171.8 | -59 | -179.9 | -178 | 0 | 0 | 109.8 | R67 | E64-R67 CarbonylContact C-O 3.5Å; E64-R67 WeakPolarHBondContact CA-O 3.49Å; E64-R67 HydrophobicContact CB-CG 3.89Å; E64-R67 WeakPolarHBondContact CB-O 3.37Å; E64-R67 HydrophobicContact CG-CG 4.3Å; E64-R67 PolarHBondContact N-O 3.01Å; E64-R67 WeakPolarHBondContact OE2-CD 3.35Å; E64-R67 WeakPolarHBondContact OE2-CG 3.36Å; E64-R67 IonicContact OE2-NE 3.87Å | ||
| 65 | K | 84.2 | Confident | 85.6 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 77% | 0.765 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -61.5 | -47.1 | -178.8 | -67.3 | -175.8 | 178 | -175.9 | 0 | 111.9 | ||
| 66 | D | 86.8 | Confident | 87.4 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -109.3 | -6.9 | -171.3 | -53.2 | -37 | 0 | 0 | 0 | 113.2 | R142 | D66-R142 PolarHBondContact O-N 3.35Š|
| 67 | R | 90.2 | Very high | 89 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 158.1 | -175.7 | 66.1 | -178.9 | 72.9 | -174 | 2 | 112.5 | E64 V69 T139 A140 | E64-R67 CarbonylContact C-O 3.5Å; E64-R67 WeakPolarHBondContact CA-O 3.49Å; E64-R67 HydrophobicContact CB-CG 3.89Å; E64-R67 WeakPolarHBondContact CB-O 3.37Å; E64-R67 HydrophobicContact CG-CG 4.3Å; E64-R67 PolarHBondContact N-O 3.01Å; E64-R67 WeakPolarHBondContact OE2-CD 3.35Å; E64-R67 WeakPolarHBondContact OE2-CG 3.36Å; E64-R67 IonicContact OE2-NE 3.87Å; R67-V69 HydrophobicContact CG-CG2 3.82Å; R67-T139 HydrophobicContact CB-CG2 4.26Å; R67-A140 CarbonylContact C-O 3.57Å; R67-A140 WeakPolarHBondContact CA-O 3.26Å |
| 68 | F | 92.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.2 | 173.5 | 174.4 | -113.2 | 0 | 0 | 0 | 108.1 | M61 R62 M63 I70 L117 P118 T139 A140 | M61-F68 HydrophobicContact CE-CD2 4.27Å; M61-F68 HydrophobicContact CE-CE1 4.49Å; M61-F68 HydrophobicContact CE-CE2 3.09Å; M61-F68 HydrophobicContact CE-CZ 3.25Å; M61-F68 HydrophobicContact CG-CD2 4.49Å; M61-F68 HydrophobicContact CG-CE2 3.26Å; M61-F68 HydrophobicContact CG-CZ 3.44Å; M61-F68 VanDerWaalsContact CG-CZ 3.44Å; M61-F68 HydrophobicContact SD-CE2 3.71Å; M61-F68 HydrophobicContact SD-CZ 3.53Å; M61-F68 VanDerWaalsContact SD-CZ 3.53Å; R62-F68 WeakPolarHBondContact O-CD2 3.22Å; M63-F68 HydrophobicContact CE-CD2 4.11Å; M63-F68 HydrophobicContact CE-CE2 4.04Å; M63-F68 HydrophobicContact CG-CD2 3.93Å; M63-F68 HydrophobicContact CG-CE2 4.18Å; M63-F68 HydrophobicContact SD-CD2 4.37Å; F68-I70 HydrophobicContact CE1-CD1 3.64Å; F68-I70 HydrophobicContact CE1-CG1 3.75Å; F68-I70 HydrophobicContact CZ-CD1 4.01Å; F68-I70 HydrophobicContact CZ-CG1 3.74Å; F68-L117 HydrophobicContact CD1-CD2 4.25Å; F68-L117 HydrophobicContact CE1-CD2 4.38Å; F68-P118 HydrophobicContact CB-CG 3.95Å; F68-P118 HydrophobicContact CD1-CG 4.22Å; F68-P118 HydrophobicContact CD2-CG 4.23Å; F68-P118 HydrophobicContact CG-CG 3.85Å; F68-T139 WeakPolarHBondContact O-CA 3.32Å; F68-A140 HydrophobicContact CB-CB 4.19Å; F68-A140 HydrophobicContact CD1-CB 4.13Å; F68-A140 PolarHBondContact N-O 2.98Å; F68-A140 PolarHBondContact O-N 2.77Å |
| 69 | V | 94.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.8 | -172.5 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | R62 R67 Y71 T137 I138 T139 | R62-V69 PolarHBondContact N-O 2.81Å; R62-V69 PolarHBondContact O-N 3.16Å; R67-V69 HydrophobicContact CG-CG2 3.82Å; V69-Y71 HydrophobicContact CB-CE2 4.22Å; V69-Y71 HydrophobicContact CG1-CD2 4.24Å; V69-Y71 HydrophobicContact CG1-CE1 4.08Å; V69-Y71 HydrophobicContact CG1-CE2 3.61Å; V69-T137 HydrophobicContact CG1-CG2 3.79Å; V69-I138 CarbonylContact C-O 3.54Å; V69-I138 WeakPolarHBondContact CA-O 3.45Å; V69-T139 HydrophobicContact CG2-CG2 4.42Å |
| 70 | I | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.9 | 172.8 | -58.4 | 160.5 | 0 | 0 | 0 | 107.8 | E60 F68 I91 Y115 T137 I138 | E60-I70 WeakPolarHBondContact O-CA 3.08Å; F68-I70 HydrophobicContact CE1-CD1 3.64Å; F68-I70 HydrophobicContact CE1-CG1 3.75Å; F68-I70 HydrophobicContact CZ-CD1 4.01Å; F68-I70 HydrophobicContact CZ-CG1 3.74Å; I70-I91 HydrophobicContact CD1-CD1 3.67Å; I70-Y115 HydrophobicContact CD1-CD1 4.04Å; I70-Y115 HydrophobicContact CD1-CD2 3.95Å; I70-Y115 HydrophobicContact CD1-CG 3.62Å; I70-Y115 HydrophobicContact CG1-CD1 4.39Å; I70-Y115 HydrophobicContact CG1-CG 4.44Å; I70-Y115 HydrophobicContact CG2-CD1 4.31Å; I70-Y115 HydrophobicContact CG2-CD2 4.44Å; I70-Y115 HydrophobicContact CG2-CE1 3.94Å; I70-Y115 HydrophobicContact CG2-CE2 4.07Å; I70-T137 CarbonylContact O-C 3.54Å; I70-T137 VanDerWaalsContact O-CA 3.29Å; I70-T137 WeakPolarHBondContact O-CA 3.28Å; I70-I138 HydrophobicContact CB-CB 4.28Å; I70-I138 PolarHBondContact N-O 2.92Å; I70-I138 PolarHBondContact O-N 3.08Å |
| 71 | Y | 95.3 | Very high | 91.6 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 28% | 0.275 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.7 | 169.2 | -58.8 | -82 | 0 | 0 | 0 | 108.5 | S59 E60 R62 V69 V135 L136 T137 | S59-Y71 CarbonylContact C-O 3.59Å; S59-Y71 WeakPolarHBondContact CA-O 3.29Å; E60-Y71 HydrophobicContact CB-CD2 4.49Å; E60-Y71 PolarHBondContact N-O 2.77Å; E60-Y71 PolarHBondContact O-N 2.94Å; R62-Y71 HydrophobicContact CG-CE2 4.36Å; V69-Y71 HydrophobicContact CB-CE2 4.22Å; V69-Y71 HydrophobicContact CG1-CD2 4.24Å; V69-Y71 HydrophobicContact CG1-CE1 4.08Å; V69-Y71 HydrophobicContact CG1-CE2 3.61Å; Y71-V135 HydrophobicContact CD1-CG1 4.44Å; Y71-L136 CarbonylContact C-O 3.55Å; Y71-T137 HydrophobicContact CD1-CG2 4.03Å; Y71-T137 HydrophobicContact CE1-CG2 3.8Å |
| 72 | L | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 120.8 | -179.5 | -179.6 | 67.6 | 0 | 0 | 0 | 110.2 | V74 V93 F111 V135 L136 | L72-V74 HydrophobicContact CD2-CG1 3.81Å; L72-V74 HydrophobicContact CG-CG1 3.76Å; L72-V74 PolarHBondContact O-N 2.86Å; L72-V93 HydrophobicContact CD2-CB 4.24Å; L72-V93 HydrophobicContact CD2-CG1 3.77Å; L72-V93 HydrophobicContact CD2-CG2 4.45Å; L72-F111 HydrophobicContact CD2-CE2 3.79Å; L72-F111 HydrophobicContact CD2-CZ 3.7Å; L72-F111 HydrophobicContact CG-CZ 4.38Å; L72-V135 WeakPolarHBondContact O-CA 3.45Å; L72-L136 HydrophobicContact CB-CB 4.34Å; L72-L136 HydrophobicContact CD2-CD2 4.3Å; L72-L136 PolarHBondContact N-O 3.39Å; L72-L136 PolarHBondContact O-N 2.87Å |
| 73 | D | 93.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 113.9 | 172.1 | -174.9 | -2.1 | 0 | 0 | 0 | 110.2 | H58 K75 | H58-D73 HydrophobicContact CB-CB 4.48Å; H58-D73 PolarHBondContact O-N 2.82Å; D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 WeakPolarHBondContact OD1-CD 3.49Å; D73-K75 VanDerWaalsContact OD1-CG 3.27Å; D73-K75 WeakPolarHBondContact OD1-CG 3.5Å; D73-K75 PolarHBondContact OD1-N 2.81Å; D73-K75 VanDerWaalsContact OD1-N 3.07Å; D73-K75 WeakPolarHBondContact OD2-CE 3.16Å; D73-K75 IonicContact OD2-NZ 2.75Å; D73-K75 PolarHBondContact OD2-NZ 2.81Å |
| 74 | V | 93.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | trans | -124.1 | 21.4 | 179.6 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | L72 H76 F77 L82 F111 L130 G134 L136 | L72-V74 HydrophobicContact CD2-CG1 3.81Å; L72-V74 HydrophobicContact CG-CG1 3.76Å; L72-V74 PolarHBondContact O-N 2.86Å; V74-H76 PolarHBondContact O-N 2.82Å; V74-F77 HydrophobicContact CB-CD2 4.38Å; V74-F77 PolarHBondContact O-N 2.83Å; V74-L82 HydrophobicContact CB-CD1 4.27Å; V74-L82 HydrophobicContact CB-CD2 4.2Å; V74-L82 HydrophobicContact CG1-CD2 4.21Å; V74-L82 HydrophobicContact CG2-CD1 3.82Å; V74-F111 HydrophobicContact CG1-CE1 4.16Å; V74-F111 HydrophobicContact CG1-CZ 3.79Å; V74-L130 HydrophobicContact CG2-CD1 3.46Å; V74-L130 VanDerWaalsContact CG2-CD1 3.46Å; V74-G134 CarbonylContact C-O 3.59Å; V74-G134 WeakPolarHBondContact CA-O 3.36Å; V74-G134 VanDerWaalsContact CG2-O 3.26Å; V74-G134 WeakPolarHBondContact CG2-O 3.47Å; V74-G134 PolarHBondContact N-O 3.17Å; V74-L136 HydrophobicContact CG1-CB 4.19Å; V74-L136 HydrophobicContact CG2-CB 3.91Å | ||
| 75 | K | 90.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 56.9 Ų | 56.9 | 46% | 0.457 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -17.6 | -175.6 | 71.9 | -168.2 | 172.8 | -137.3 | 0 | 116.1 | D73 G134 | D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 WeakPolarHBondContact OD1-CD 3.49Å; D73-K75 VanDerWaalsContact OD1-CG 3.27Å; D73-K75 WeakPolarHBondContact OD1-CG 3.5Å; D73-K75 PolarHBondContact OD1-N 2.81Å; D73-K75 VanDerWaalsContact OD1-N 3.07Å; D73-K75 WeakPolarHBondContact OD2-CE 3.16Å; D73-K75 IonicContact OD2-NZ 2.75Å; D73-K75 PolarHBondContact OD2-NZ 2.81Å; K75-G134 PolarHBondContact N-O 2.86Å; K75-G134 VanDerWaalsContact N-O 3.14Å |
| 76 | H | 88.4 | Confident | 92.9 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.3 | 178.6 | -61.6 | -65.5 | 0 | 0 | 0 | 113.7 | N56 V74 | N56-H76 PolarHBondContact ND2-CD2 2.9Å; V74-H76 PolarHBondContact O-N 2.82Å |
| 77 | F | 90.9 | Very high | 93.1 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 10% | 0.101 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -123.1 | 142.4 | -177.7 | -60.6 | -88.9 | 0 | 0 | 0 | 109.9 | V74 L82 A95 H97 R109 F111 | V74-F77 HydrophobicContact CB-CD2 4.38Å; V74-F77 PolarHBondContact O-N 2.83Å; F77-L82 HydrophobicContact CB-CD2 3.77Å; F77-L82 HydrophobicContact CB-CG 4.28Å; F77-L82 HydrophobicContact CG-CD2 4.22Å; F77-A95 HydrophobicContact CD1-CB 3.7Å; F77-A95 HydrophobicContact CD2-CB 4.15Å; F77-A95 HydrophobicContact CE1-CB 3.72Å; F77-A95 HydrophobicContact CE2-CB 4.19Å; F77-A95 HydrophobicContact CG-CB 3.92Å; F77-A95 HydrophobicContact CZ-CB 3.98Å; F77-H97 HydrophobicContact CD1-CB 3.85Å; F77-H97 HydrophobicContact CE1-CB 3.81Å; F77-R109 HydrophobicContact CE1-CB 4.05Å; F77-R109 WeakPolarHBondContact CE1-O 3.35Å; F77-R109 HydrophobicContact CZ-CB 3.85Å; F77-F111 HydrophobicContact CD2-CD1 4.41Å; F77-F111 AromaticContact CD2-CE1 3.87Å; F77-F111 HydrophobicContact CD2-CE1 3.87Å; F77-F111 AromaticContact CE2-CD1 3.52Å; F77-F111 HydrophobicContact CE2-CD1 3.52Å; F77-F111 AromaticContact CE2-CE1 3.4Å; F77-F111 HydrophobicContact CE2-CE1 3.4Å; F77-F111 AromaticContact CZ-CD1 3.59Å; F77-F111 HydrophobicContact CZ-CD1 3.59Å; F77-F111 AromaticContact CZ-CE1 3.88Å; F77-F111 HydrophobicContact CZ-CE1 3.88Å |
| 78 | S | 89.8 | Confident | 92.8 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | trans | -79.6 | 155.8 | 169.5 | 57 | 0 | 0 | 0 | 0 | 110.8 | D80 E81 | S78-D80 PolarHBondContact O-N 2.89Å; S78-D80 VanDerWaalsContact O-N 3.17Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 WeakPolarHBondContact O-CB 3.26Å; S78-E81 PolarHBondContact O-N 3.1Å; S78-E81 VanDerWaalsContact OG-CG 3.22Å; S78-E81 WeakPolarHBondContact OG-CG 3.43Å; S78-E81 PolarHBondContact OG-OE2 3.45Å | ||
| 79 | P | 92.7 | Very high | 92.6 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -55.5 | -34.5 | 179.7 | -23 | 31.6 | 0 | 0 | 0 | 113.4 | E81 L82 L130 | P79-E81 PolarHBondContact O-N 3.23Å; P79-L82 PolarHBondContact O-N 3.21Å; P79-L130 HydrophobicContact CB-CD2 3.94Å; P79-L130 HydrophobicContact CG-CD2 3.73Å |
| 80 | D | 93.6 | Very high | 92.6 | Very high | 159 Ų | 159 | 59.2 Ų | 59.2 | 85% | 0.85 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -71.5 | -17.4 | -179.3 | -56.1 | -34.8 | 0 | 0 | 0 | 113.3 | S78 | S78-D80 PolarHBondContact O-N 2.89Å; S78-D80 VanDerWaalsContact O-N 3.17Å |
| 81 | E | 93.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 12% | 0.117 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -91.2 | -4.3 | 178.1 | -70.9 | 170.7 | 151.6 | 0 | 0 | 112.9 | S78 P79 A95 K96 H97 R100 | S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 WeakPolarHBondContact O-CB 3.26Å; S78-E81 PolarHBondContact O-N 3.1Å; S78-E81 VanDerWaalsContact OG-CG 3.22Å; S78-E81 WeakPolarHBondContact OG-CG 3.43Å; S78-E81 PolarHBondContact OG-OE2 3.45Å; P79-E81 PolarHBondContact O-N 3.23Å; E81-A95 WeakPolarHBondContact O-CA 3.27Å; E81-K96 VanDerWaalsContact CB-O 3.28Å; E81-K96 WeakPolarHBondContact CB-O 3.47Å; E81-K96 VanDerWaalsContact CG-O 3.3Å; E81-K96 WeakPolarHBondContact CG-O 3.37Å; E81-K96 PolarHBondContact O-N 2.67Å; E81-K96 VanDerWaalsContact O-N 3.08Å; E81-H97 IonicContact OE1-CE1 2.76Å; E81-H97 IonicContact OE1-CG 3.77Å; E81-H97 IonicContact OE1-ND1 2.84Å; E81-H97 PolarHBondContact OE1-ND1 3.22Å; E81-H97 IonicContact OE2-ND1 3.31Å; E81-H97 PolarHBondContact OE2-ND1 3.14Å; E81-H97 VanDerWaalsContact OE2-ND1 3.15Å; E81-R100 IonicContact OE1-CZ 3.66Å; E81-R100 IonicContact OE1-NE 2.88Å; E81-R100 IonicContact OE1-NH1 3.94Å; E81-R100 PolarHBondContact OE1-NH1 3.37Å; E81-R100 IonicContact OE1-NH2 2.82Å; E81-R100 PolarHBondContact OE1-NH2 3.17Å; E81-R100 IonicContact OE2-NH1 3.57Å; E81-R100 PolarHBondContact OE2-NH1 2.99Å |
| 82 | L | 95.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.6 | -177 | -60.6 | 175.7 | 0 | 0 | 0 | 110.5 | V74 F77 P79 A95 L130 | V74-L82 HydrophobicContact CB-CD1 4.27Å; V74-L82 HydrophobicContact CB-CD2 4.2Å; V74-L82 HydrophobicContact CG1-CD2 4.21Å; V74-L82 HydrophobicContact CG2-CD1 3.82Å; F77-L82 HydrophobicContact CB-CD2 3.77Å; F77-L82 HydrophobicContact CB-CG 4.28Å; F77-L82 HydrophobicContact CG-CD2 4.22Å; P79-L82 PolarHBondContact O-N 3.21Å; L82-A95 HydrophobicContact CD2-CB 3.43Å; L82-A95 VanDerWaalsContact CD2-CB 3.43Å; L82-L130 HydrophobicContact CD1-CD1 4.41Å; L82-L130 HydrophobicContact CD1-CD2 4.01Å |
| 83 | S | 96.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 56.9 Ų | 56.9 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.9 | 172.6 | -177 | 0 | 0 | 0 | 0 | 109.5 | N85 V93 H94 | S83-N85 PolarHBondContact OG-ND2 2.89Å; S83-V93 CarbonylContact O-C 3.52Å; S83-V93 WeakPolarHBondContact O-CA 3.45Å; S83-H94 PolarHBondContact N-O 2.75Å; S83-H94 PolarHBondContact O-N 2.81Å |
| 84 | V | 95.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.5 | 175 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | I91 V93 L136 I138 | V84-I91 HydrophobicContact CG1-CG2 3.93Å; V84-V93 HydrophobicContact CG2-CG1 4.42Å; V84-V93 HydrophobicContact CG2-CG2 4.39Å; V84-L136 HydrophobicContact CG2-CD2 4Å; V84-I138 HydrophobicContact CG1-CD1 3.98Å; V84-I138 HydrophobicContact CG2-CD1 4.45Å |
| 85 | N | 94.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 58 Ų | 58 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.8 | -178.5 | -66.9 | -47.7 | 0 | 0 | 0 | 110.6 | S83 T92 | S83-N85 PolarHBondContact OG-ND2 2.89Å; N85-T92 PolarHBondContact N-O 2.84Å; N85-T92 PolarHBondContact O-N 3.07Å |
| 86 | L | 93 | Very high | 92.9 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.9 | 173.4 | -64 | 172.3 | 0 | 0 | 0 | 108.1 | I91 I126 | L86-I91 HydrophobicContact CD2-CB 4.14Å; L86-I91 HydrophobicContact CD2-CG1 3.53Å; L86-I91 HydrophobicContact CD2-CG2 4.21Å; L86-I126 HydrophobicContact CD1-CB 4.04Å; L86-I126 HydrophobicContact CD1-CD1 3.94Å; L86-I126 HydrophobicContact CD1-CG1 4.46Å; L86-I126 HydrophobicContact CD1-CG2 4.37Å; L86-I126 HydrophobicContact CD2-CD1 3.66Å; L86-I126 HydrophobicContact CD2-CG2 4.4Å; L86-I126 HydrophobicContact CG-CD1 4.47Å |
| 87 | S | 90.5 | Very high | 93 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.1 | 178.4 | 60.6 | 0 | 0 | 0 | 0 | 109.2 | E89 F90 | S87-E89 PolarHBondContact O-N 2.79Å; S87-E89 VanDerWaalsContact O-N 3.14Å; S87-F90 PolarHBondContact N-O 3.14Å; S87-F90 PolarHBondContact O-N 3.31Å |
| 88 | D | 84.1 | Confident | 93 | Very high | 166 Ų | 166 | 60 Ų | 60 | 89% | 0.888 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -111.1 | -177.8 | -49.6 | -44.6 | 0 | 0 | 0 | 112.2 | ||
| 89 | E | 88.9 | Confident | 92.8 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 17.2 | 177.2 | -59.1 | -169.8 | 158.6 | 0 | 0 | 112.8 | S87 R116 L117 | S87-E89 PolarHBondContact O-N 2.79Å; S87-E89 VanDerWaalsContact O-N 3.14Å; E89-R116 IonicContact OE2-CZ 3.84Å; E89-R116 IonicContact OE2-NE 3.62Å; E89-R116 IonicContact OE2-NH2 3.14Å; E89-R116 PolarHBondContact OE2-NH2 2.9Å; E89-R116 VanDerWaalsContact OE2-NH2 3.14Å; E89-L117 WeakPolarHBondContact O-CB 3.5Å; E89-L117 PolarHBondContact O-N 3.14Å |
| 90 | F | 92.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.3 | -173.5 | -63.1 | -88.2 | 0 | 0 | 0 | 113.3 | S87 K114 Y115 R116 | S87-F90 PolarHBondContact N-O 3.14Å; S87-F90 PolarHBondContact O-N 3.31Å; F90-K114 HydrophobicContact CB-CD 4.26Å; F90-K114 HydrophobicContact CB-CG 3.9Å; F90-K114 HydrophobicContact CD1-CD 4.06Å; F90-K114 HydrophobicContact CD1-CG 3.74Å; F90-K114 HydrophobicContact CG-CD 4.19Å; F90-K114 HydrophobicContact CG-CG 4.07Å; F90-Y115 CarbonylContact C-O 3.58Å; F90-Y115 VanDerWaalsContact CA-O 3.24Å; F90-Y115 WeakPolarHBondContact CA-O 3.26Å; F90-R116 HydrophobicContact CD1-CB 3.97Å; F90-R116 HydrophobicContact CD1-CG 4.25Å; F90-R116 HydrophobicContact CE1-CB 3.75Å; F90-R116 HydrophobicContact CE1-CG 3.85Å; F90-R116 HydrophobicContact CZ-CG 4.28Å |
| 91 | I | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120.4 | 164.9 | -52.7 | 167.1 | 0 | 0 | 0 | 107.3 | I70 V84 L86 V93 K114 Y115 L117 I138 | I70-I91 HydrophobicContact CD1-CD1 3.67Å; V84-I91 HydrophobicContact CG1-CG2 3.93Å; L86-I91 HydrophobicContact CD2-CB 4.14Å; L86-I91 HydrophobicContact CD2-CG1 3.53Å; L86-I91 HydrophobicContact CD2-CG2 4.21Å; I91-V93 HydrophobicContact CG2-CG2 4.32Å; I91-K114 CarbonylContact O-C 3.59Å; I91-K114 WeakPolarHBondContact O-CA 3.24Å; I91-Y115 PolarHBondContact N-O 2.78Å; I91-Y115 PolarHBondContact O-N 2.97Å; I91-L117 HydrophobicContact CD1-CD2 3.44Å; I91-L117 VanDerWaalsContact CD1-CD2 3.44Å; I91-L117 HydrophobicContact CD1-CG 4.21Å; I91-L117 HydrophobicContact CG1-CD1 4.27Å; I91-L117 HydrophobicContact CG1-CD2 3.72Å; I91-L117 HydrophobicContact CG1-CG 3.94Å; I91-I138 HydrophobicContact CD1-CG2 3.95Å; I91-I138 HydrophobicContact CG2-CD1 3.9Å |
| 92 | T | 95.6 | Very high | 90.9 | Very high | 23 Ų | 23 | 67.5 Ų | 67.5 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118 | 174.2 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | N85 L112 R113 | N85-T92 PolarHBondContact N-O 2.84Å; N85-T92 PolarHBondContact O-N 3.07Å; T92-L112 HydrophobicContact CG2-CD1 4.37Å; T92-L112 HydrophobicContact CG2-CD2 3.68Å; T92-L112 HydrophobicContact CG2-CG 3.93Å; T92-R113 CarbonylContact C-O 3.38Å; T92-R113 WeakPolarHBondContact CA-O 3.36Å |
| 93 | V | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.3 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | L72 S83 V84 I91 F111 L112 R113 Y115 L136 I138 | L72-V93 HydrophobicContact CD2-CB 4.24Å; L72-V93 HydrophobicContact CD2-CG1 3.77Å; L72-V93 HydrophobicContact CD2-CG2 4.45Å; S83-V93 CarbonylContact O-C 3.52Å; S83-V93 WeakPolarHBondContact O-CA 3.45Å; V84-V93 HydrophobicContact CG2-CG1 4.42Å; V84-V93 HydrophobicContact CG2-CG2 4.39Å; I91-V93 HydrophobicContact CG2-CG2 4.32Å; V93-F111 HydrophobicContact CB-CE2 4.47Å; V93-F111 HydrophobicContact CG1-CE2 4.01Å; V93-F111 HydrophobicContact CG1-CZ 4.36Å; V93-L112 CarbonylContact O-C 3.54Å; V93-L112 WeakPolarHBondContact O-CA 3.43Å; V93-R113 PolarHBondContact N-O 2.78Å; V93-R113 PolarHBondContact O-N 3.17Å; V93-Y115 HydrophobicContact CG2-CD2 4.5Å; V93-Y115 HydrophobicContact CG2-CE2 4.26Å; V93-L136 HydrophobicContact CG1-CD2 3.86Å; V93-L136 HydrophobicContact CG2-CD2 4.47Å; V93-I138 HydrophobicContact CG2-CD1 3.59Å |
| 94 | H | 95.9 | Very high | 89.3 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 25% | 0.25 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.8 | 174.7 | -177.6 | -132.6 | 0 | 0 | 0 | 108.7 | S83 E110 F111 | S83-H94 PolarHBondContact N-O 2.75Å; S83-H94 PolarHBondContact O-N 2.81Å; H94-E110 IonicContact CD2-OE1 3.78Å; H94-E110 IonicContact CE1-OE1 2.98Å; H94-E110 IonicContact NE2-OE1 3.56Å; H94-E110 PolarHBondContact NE2-OE1 2.64Å; H94-F111 PolarHBondContact CD2-O 2.78Å |
| 95 | A | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 116.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | F77 E81 L82 E110 F111 | F77-A95 HydrophobicContact CD1-CB 3.7Å; F77-A95 HydrophobicContact CD2-CB 4.15Å; F77-A95 HydrophobicContact CE1-CB 3.72Å; F77-A95 HydrophobicContact CE2-CB 4.19Å; F77-A95 HydrophobicContact CG-CB 3.92Å; F77-A95 HydrophobicContact CZ-CB 3.98Å; E81-A95 WeakPolarHBondContact O-CA 3.27Å; L82-A95 HydrophobicContact CD2-CB 3.43Å; L82-A95 VanDerWaalsContact CD2-CB 3.43Å; A95-E110 CarbonylContact O-C 3.55Å; A95-E110 VanDerWaalsContact O-CA 3.26Å; A95-E110 WeakPolarHBondContact O-CA 3.38Å; A95-F111 HydrophobicContact CB-CD1 3.64Å; A95-F111 HydrophobicContact CB-CD2 4.28Å; A95-F111 HydrophobicContact CB-CE1 3.23Å; A95-F111 HydrophobicContact CB-CE2 3.91Å; A95-F111 HydrophobicContact CB-CG 4.14Å; A95-F111 HydrophobicContact CB-CZ 3.36Å; A95-F111 PolarHBondContact N-O 2.98Å; A95-F111 PolarHBondContact O-N 2.82Å |
| 96 | K | 94.1 | Very high | 88.4 | Confident | 87 Ų | 87 | 83 Ų | 83 | 38% | 0.378 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 112.9 | -176.4 | -172.8 | -170.3 | 177.8 | -144.3 | 0 | 110.1 | E81 E98 E110 | E81-K96 VanDerWaalsContact CB-O 3.28Å; E81-K96 WeakPolarHBondContact CB-O 3.47Å; E81-K96 VanDerWaalsContact CG-O 3.3Å; E81-K96 WeakPolarHBondContact CG-O 3.37Å; E81-K96 PolarHBondContact O-N 2.67Å; E81-K96 VanDerWaalsContact O-N 3.08Å; K96-E98 IonicContact NZ-OE1 3.62Å; K96-E98 PolarHBondContact NZ-OE1 2.82Å; K96-E110 HydrophobicContact CB-CG 4.25Å; K96-E110 HydrophobicContact CG-CG 4.19Å |
| 97 | H | 90.6 | Very high | 88 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 5% | 0.046 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.6 | 173.2 | -174 | 86.8 | 0 | 0 | 0 | 108.6 | F77 E81 R100 V107 S108 R109 | F77-H97 HydrophobicContact CD1-CB 3.85Å; F77-H97 HydrophobicContact CE1-CB 3.81Å; E81-H97 IonicContact OE1-CE1 2.76Å; E81-H97 IonicContact OE1-CG 3.77Å; E81-H97 IonicContact OE1-ND1 2.84Å; E81-H97 PolarHBondContact OE1-ND1 3.22Å; E81-H97 IonicContact OE2-ND1 3.31Å; E81-H97 PolarHBondContact OE2-ND1 3.14Å; E81-H97 VanDerWaalsContact OE2-ND1 3.15Å; H97-R100 VanDerWaalsContact CE1-CD 3.46Å; H97-R100 WeakPolarHBondContact CE1-CD 3.34Å; H97-R100 PolarHBondContact CE1-NH1 2.75Å; H97-R100 PolarHBondContact ND1-NH1 3.17Å; H97-V107 PolarHBondContact CD2-O 2.91Å; H97-S108 WeakPolarHBondContact O-CA 3.43Å; H97-S108 PolarHBondContact O-OG 2.83Å; H97-R109 WeakPolarHBondContact CA-O 3.05Å; H97-R109 HydrophobicContact CB-CB 4.18Å; H97-R109 WeakPolarHBondContact CB-O 3.38Å; H97-R109 PolarHBondContact N-O 3.09Å; H97-R109 PolarHBondContact O-N 2.79Å |
| 98 | E | 89.9 | Confident | 87.9 | Confident | 123 Ų | 123 | 82.2 Ų | 82.2 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 170.2 | 177.2 | -57.3 | -165.7 | 152.9 | 0 | 0 | 111 | K96 R100 | K96-E98 IonicContact NZ-OE1 3.62Å; K96-E98 PolarHBondContact NZ-OE1 2.82Å; E98-R100 PolarHBondContact O-N 3.23Å |
| 99 | D | 86.8 | Confident | 88.2 | Confident | 119 Ų | 119 | 76 Ų | 76 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 98.9 | -176.9 | -72.3 | -34.6 | 0 | 0 | 0 | 111.1 | S108 | D99-S108 WeakPolarHBondContact OD1-CB 3.42Å |
| 100 | R | 82.9 | Confident | 88.4 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 43% | 0.434 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 146.9 | 172.4 | -68 | -161.5 | -175.7 | 130.6 | 2.9 | 110.5 | E81 H97 E98 D102 F106 V107 | E81-R100 IonicContact OE1-CZ 3.66Å; E81-R100 IonicContact OE1-NE 2.88Å; E81-R100 IonicContact OE1-NH1 3.94Å; E81-R100 PolarHBondContact OE1-NH1 3.37Å; E81-R100 IonicContact OE1-NH2 2.82Å; E81-R100 PolarHBondContact OE1-NH2 3.17Å; E81-R100 IonicContact OE2-NH1 3.57Å; E81-R100 PolarHBondContact OE2-NH1 2.99Å; H97-R100 VanDerWaalsContact CE1-CD 3.46Å; H97-R100 WeakPolarHBondContact CE1-CD 3.34Å; H97-R100 PolarHBondContact CE1-NH1 2.75Å; H97-R100 PolarHBondContact ND1-NH1 3.17Å; E98-R100 PolarHBondContact O-N 3.23Å; R100-D102 PolarHBondContact O-N 2.9Å; R100-F106 CarbonylContact O-C 3.53Å; R100-F106 WeakPolarHBondContact O-CA 3.34Å; R100-V107 PolarHBondContact N-O 2.88Å; R100-V107 VanDerWaalsContact N-O 3.08Å; R100-V107 PolarHBondContact O-N 3.05Å |
| 101 | Q | 81.5 | Confident | 88.4 | Confident | 156 Ų | 156 | 75.3 Ų | 75.3 | 73% | 0.729 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 109.8 | 174.9 | -168.3 | 173.5 | -3.3 | 0 | 0 | 109.5 | G105 F106 | Q101-G105 CarbonylContact C-O 3.54Å; Q101-G105 WeakPolarHBondContact CA-O 3.19Å; Q101-F106 HydrophobicContact CB-CD1 4.31Å; Q101-F106 HydrophobicContact CB-CE1 4.07Å |
| 102 | D | 75.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 80.7 Ų | 80.7 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 173.9 | 167.5 | -86.3 | -14.6 | 0 | 0 | 0 | 109.4 | R100 H104 G105 V107 R109 | R100-D102 PolarHBondContact O-N 2.9Å; D102-H104 PolarHBondContact O-N 3.01Å; D102-G105 PolarHBondContact N-O 3.34Å; D102-G105 PolarHBondContact O-N 3.27Å; D102-G105 VanDerWaalsContact O-O 3.13Å; D102-V107 HydrophobicContact CB-CG2 3.98Å; D102-V107 WeakPolarHBondContact OD2-CG2 3.22Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NH1 2.87Å; D102-R109 IonicContact OD2-NH2 3.15Å; D102-R109 PolarHBondContact OD2-NH2 2.82Å |
| 103 | D | 78.5 | Confident | 88.3 | Confident | 163 Ų | 163 | 82.6 Ų | 82.6 | 87% | 0.872 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.3 | -178.8 | -67.7 | -31.8 | 0 | 0 | 0 | 114.6 | ||
| 104 | H | 79.1 | Confident | 88.2 | Confident | 191 Ų | 191 | 88.4 Ų | 88.4 | 88% | 0.884 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 9.2 | -173.3 | -60.1 | -53.3 | 0 | 0 | 0 | 114.4 | D102 | D102-H104 PolarHBondContact O-N 3.01Š|
| 105 | G | 85.3 | Confident | 88.1 | Confident | 32 Ų | 32 | 86.9 Ų | 86.9 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | -152.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q101 D102 | Q101-G105 CarbonylContact C-O 3.54Å; Q101-G105 WeakPolarHBondContact CA-O 3.19Å; D102-G105 PolarHBondContact N-O 3.34Å; D102-G105 PolarHBondContact O-N 3.27Å; D102-G105 VanDerWaalsContact O-O 3.13Å |
| 106 | F | 85.3 | Confident | 88 | Confident | 149 Ų | 149 | 94.5 Ų | 94.5 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.9 | 174.3 | -65.4 | -88 | 0 | 0 | 0 | 110.2 | R100 Q101 | R100-F106 CarbonylContact O-C 3.53Å; R100-F106 WeakPolarHBondContact O-CA 3.34Å; Q101-F106 HydrophobicContact CB-CD1 4.31Å; Q101-F106 HydrophobicContact CB-CE1 4.07Å |
| 107 | V | 85.9 | Confident | 87.8 | Confident | 42 Ų | 42 | 91.2 Ų | 91.2 | 26% | 0.255 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.3 | 173.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | H97 R100 D102 R109 | H97-V107 PolarHBondContact CD2-O 2.91Å; R100-V107 PolarHBondContact N-O 2.88Å; R100-V107 VanDerWaalsContact N-O 3.08Å; R100-V107 PolarHBondContact O-N 3.05Å; D102-V107 HydrophobicContact CB-CG2 3.98Å; D102-V107 WeakPolarHBondContact OD2-CG2 3.22Å; V107-R109 HydrophobicContact CG1-CG 3.85Å; V107-R109 VanDerWaalsContact CG1-NH2 3.33Å |
| 108 | S | 88.9 | Confident | 87.7 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.3 | 166.9 | 160.3 | 0 | 0 | 0 | 0 | 109 | H97 D99 | H97-S108 WeakPolarHBondContact O-CA 3.43Å; H97-S108 PolarHBondContact O-OG 2.83Å; D99-S108 WeakPolarHBondContact OD1-CB 3.42Å |
| 109 | R | 89 | Confident | 87.3 | Confident | 35 Ų | 35 | 90.1 Ų | 90.1 | 13% | 0.132 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 133.5 | -178.9 | -55.1 | -178.6 | -177.2 | 100.6 | 3.5 | 108 | F77 H97 D102 V107 | F77-R109 HydrophobicContact CE1-CB 4.05Å; F77-R109 WeakPolarHBondContact CE1-O 3.35Å; F77-R109 HydrophobicContact CZ-CB 3.85Å; H97-R109 WeakPolarHBondContact CA-O 3.05Å; H97-R109 HydrophobicContact CB-CB 4.18Å; H97-R109 WeakPolarHBondContact CB-O 3.38Å; H97-R109 PolarHBondContact N-O 3.09Å; H97-R109 PolarHBondContact O-N 2.79Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NH1 2.87Å; D102-R109 IonicContact OD2-NH2 3.15Å; D102-R109 PolarHBondContact OD2-NH2 2.82Å; V107-R109 HydrophobicContact CG1-CG 3.85Å; V107-R109 VanDerWaalsContact CG1-NH2 3.33Å |
| 110 | E | 92.8 | Very high | 86.9 | Confident | 118 Ų | 118 | 87 Ų | 87 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.7 | 174.4 | -175.1 | 172.3 | -173.1 | 0 | 0 | 109.8 | H94 A95 K96 | H94-E110 IonicContact CD2-OE1 3.78Å; H94-E110 IonicContact CE1-OE1 2.98Å; H94-E110 IonicContact NE2-OE1 3.56Å; H94-E110 PolarHBondContact NE2-OE1 2.64Å; A95-E110 CarbonylContact O-C 3.55Å; A95-E110 VanDerWaalsContact O-CA 3.26Å; A95-E110 WeakPolarHBondContact O-CA 3.38Å; K96-E110 HydrophobicContact CB-CG 4.25Å; K96-E110 HydrophobicContact CG-CG 4.19Å |
| 111 | F | 93.3 | Very high | 86.8 | Confident | 30 Ų | 30 | 82.4 Ų | 82.4 | 13% | 0.132 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.7 | 165.9 | 77.2 | -105.4 | 0 | 0 | 0 | 111.7 | L72 V74 F77 V93 H94 A95 R113 | L72-F111 HydrophobicContact CD2-CE2 3.79Å; L72-F111 HydrophobicContact CD2-CZ 3.7Å; L72-F111 HydrophobicContact CG-CZ 4.38Å; V74-F111 HydrophobicContact CG1-CE1 4.16Å; V74-F111 HydrophobicContact CG1-CZ 3.79Å; F77-F111 HydrophobicContact CD2-CD1 4.41Å; F77-F111 AromaticContact CD2-CE1 3.87Å; F77-F111 HydrophobicContact CD2-CE1 3.87Å; F77-F111 AromaticContact CE2-CD1 3.52Å; F77-F111 HydrophobicContact CE2-CD1 3.52Å; F77-F111 AromaticContact CE2-CE1 3.4Å; F77-F111 HydrophobicContact CE2-CE1 3.4Å; F77-F111 AromaticContact CZ-CD1 3.59Å; F77-F111 HydrophobicContact CZ-CD1 3.59Å; F77-F111 AromaticContact CZ-CE1 3.88Å; F77-F111 HydrophobicContact CZ-CE1 3.88Å; V93-F111 HydrophobicContact CB-CE2 4.47Å; V93-F111 HydrophobicContact CG1-CE2 4.01Å; V93-F111 HydrophobicContact CG1-CZ 4.36Å; H94-F111 PolarHBondContact CD2-O 2.78Å; A95-F111 HydrophobicContact CB-CD1 3.64Å; A95-F111 HydrophobicContact CB-CD2 4.28Å; A95-F111 HydrophobicContact CB-CE1 3.23Å; A95-F111 HydrophobicContact CB-CE2 3.91Å; A95-F111 HydrophobicContact CB-CG 4.14Å; A95-F111 HydrophobicContact CB-CZ 3.36Å; A95-F111 PolarHBondContact N-O 2.98Å; A95-F111 PolarHBondContact O-N 2.82Å; F111-R113 HydrophobicContact CD2-CB 4.43Å; F111-R113 HydrophobicContact CD2-CG 3.84Å; F111-R113 HydrophobicContact CE2-CG 4.21Å |
| 112 | L | 93.8 | Very high | 86.7 | Confident | 112 Ų | 112 | 80.7 Ų | 80.7 | 59% | 0.586 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.8 | 169.6 | -168.8 | 159.1 | 0 | 0 | 0 | 108.2 | T92 V93 | T92-L112 HydrophobicContact CG2-CD1 4.37Å; T92-L112 HydrophobicContact CG2-CD2 3.68Å; T92-L112 HydrophobicContact CG2-CG 3.93Å; V93-L112 CarbonylContact O-C 3.54Å; V93-L112 WeakPolarHBondContact O-CA 3.43Å |
| 113 | R | 94.1 | Very high | 86.8 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 24% | 0.242 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.9 | 177.6 | -72.9 | -178.2 | -178.3 | -142.8 | -4.2 | 110.6 | N56 G57 S59 T92 V93 F111 Y115 | N56-R113 PolarHBondContact O-NH2 2.78Å; G57-R113 VanDerWaalsContact C-NH2 3.34Å; G57-R113 VanDerWaalsContact CA-NH2 3.33Å; G57-R113 PolarHBondContact O-NH1 2.85Å; G57-R113 PolarHBondContact O-NH2 3.43Å; S59-R113 PolarHBondContact OG-NH1 2.84Å; T92-R113 CarbonylContact C-O 3.38Å; T92-R113 WeakPolarHBondContact CA-O 3.36Å; V93-R113 PolarHBondContact N-O 2.78Å; V93-R113 PolarHBondContact O-N 3.17Å; F111-R113 HydrophobicContact CD2-CB 4.43Å; F111-R113 HydrophobicContact CD2-CG 3.84Å; F111-R113 HydrophobicContact CE2-CG 4.21Å; R113-Y115 HydrophobicContact CB-CE2 3.75Å; R113-Y115 WeakPolarHBondContact CD-OH 3.18Å |
| 114 | K | 94.6 | Very high | 86.8 | Confident | 121 Ų | 121 | 76.3 Ų | 76.3 | 53% | 0.526 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.6 | -178.8 | -169.2 | 170.7 | 178.5 | 171.9 | 0 | 109.1 | F90 I91 | F90-K114 HydrophobicContact CB-CD 4.26Å; F90-K114 HydrophobicContact CB-CG 3.9Å; F90-K114 HydrophobicContact CD1-CD 4.06Å; F90-K114 HydrophobicContact CD1-CG 3.74Å; F90-K114 HydrophobicContact CG-CD 4.19Å; F90-K114 HydrophobicContact CG-CG 4.07Å; I91-K114 CarbonylContact O-C 3.59Å; I91-K114 WeakPolarHBondContact O-CA 3.24Å |
| 115 | Y | 93.9 | Very high | 87.1 | Confident | 23 Ų | 23 | 71.4 Ų | 71.4 | 9% | 0.09 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.3 | 178.7 | -60.5 | -83.9 | 0 | 0 | 0 | 109.4 | S59 I70 F90 I91 V93 R113 | S59-Y115 WeakPolarHBondContact CB-OH 3.14Å; S59-Y115 PolarHBondContact OG-OH 2.86Å; I70-Y115 HydrophobicContact CD1-CD1 4.04Å; I70-Y115 HydrophobicContact CD1-CD2 3.95Å; I70-Y115 HydrophobicContact CD1-CG 3.62Å; I70-Y115 HydrophobicContact CG1-CD1 4.39Å; I70-Y115 HydrophobicContact CG1-CG 4.44Å; I70-Y115 HydrophobicContact CG2-CD1 4.31Å; I70-Y115 HydrophobicContact CG2-CD2 4.44Å; I70-Y115 HydrophobicContact CG2-CE1 3.94Å; I70-Y115 HydrophobicContact CG2-CE2 4.07Å; F90-Y115 CarbonylContact C-O 3.58Å; F90-Y115 VanDerWaalsContact CA-O 3.24Å; F90-Y115 WeakPolarHBondContact CA-O 3.26Å; I91-Y115 PolarHBondContact N-O 2.78Å; I91-Y115 PolarHBondContact O-N 2.97Å; V93-Y115 HydrophobicContact CG2-CD2 4.5Å; V93-Y115 HydrophobicContact CG2-CE2 4.26Å; R113-Y115 HydrophobicContact CB-CE2 3.75Å; R113-Y115 WeakPolarHBondContact CD-OH 3.18Å |
| 116 | R | 91.9 | Very high | 87.4 | Confident | 159 Ų | 159 | 71.1 Ų | 71.1 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130.1 | 173.5 | -168.3 | 178 | -177.9 | 178.5 | 2.1 | 109.7 | E89 F90 | E89-R116 IonicContact OE2-CZ 3.84Å; E89-R116 IonicContact OE2-NE 3.62Å; E89-R116 IonicContact OE2-NH2 3.14Å; E89-R116 PolarHBondContact OE2-NH2 2.9Å; E89-R116 VanDerWaalsContact OE2-NH2 3.14Å; F90-R116 HydrophobicContact CD1-CB 3.97Å; F90-R116 HydrophobicContact CD1-CG 4.25Å; F90-R116 HydrophobicContact CE1-CB 3.75Å; F90-R116 HydrophobicContact CE1-CG 3.85Å; F90-R116 HydrophobicContact CZ-CG 4.28Å |
| 117 | L | 90.6 | Very high | 87.8 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 9% | 0.094 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 143 | 173.9 | -73.4 | 171.8 | 0 | 0 | 0 | 110.8 | F68 E89 I91 V121 I126 A140 | F68-L117 HydrophobicContact CD1-CD2 4.25Å; F68-L117 HydrophobicContact CE1-CD2 4.38Å; E89-L117 WeakPolarHBondContact O-CB 3.5Å; E89-L117 PolarHBondContact O-N 3.14Å; I91-L117 HydrophobicContact CD1-CD2 3.44Å; I91-L117 VanDerWaalsContact CD1-CD2 3.44Å; I91-L117 HydrophobicContact CD1-CG 4.21Å; I91-L117 HydrophobicContact CG1-CD1 4.27Å; I91-L117 HydrophobicContact CG1-CD2 3.72Å; I91-L117 HydrophobicContact CG1-CG 3.94Å; L117-V121 HydrophobicContact CD2-CG1 4.24Å; L117-I126 HydrophobicContact CD1-CD1 3.72Å; L117-I126 HydrophobicContact CD2-CD1 3.96Å; L117-A140 HydrophobicContact CD2-CB 4.29Å |
| 118 | P | 87.2 | Confident | 88.3 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 152.8 | 167.3 | 23.3 | -24.6 | 0 | 0 | 0 | 110.6 | M63 F68 V121 | M63-P118 HydrophobicContact CE-CB 3.97Å; M63-P118 HydrophobicContact CE-CG 4.23Å; M63-P118 HydrophobicContact SD-CB 4.39Å; F68-P118 HydrophobicContact CB-CG 3.95Å; F68-P118 HydrophobicContact CD1-CG 4.22Å; F68-P118 HydrophobicContact CD2-CG 4.23Å; F68-P118 HydrophobicContact CG-CG 3.85Å; P118-V121 HydrophobicContact CG-CG2 3.74Å |
| 119 | S | 82.7 | Confident | 88.6 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 141 | 179.4 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 120 | G | 77.4 | Confident | 88.9 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 54% | 0.536 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -0.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P143 | G120-P143 WeakPolarHBondContact O-CD 3.35Å; G120-P143 WeakPolarHBondContact O-CG 3.41Å |
| 121 | V | 82.3 | Confident | 89 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | trans | -76.5 | 126.1 | 169.7 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | L117 P118 I126 A140 R142 | L117-V121 HydrophobicContact CD2-CG1 4.24Å; P118-V121 HydrophobicContact CG-CG2 3.74Å; V121-I126 HydrophobicContact CG1-CD1 4.03Å; V121-I126 HydrophobicContact CG1-CG1 4.06Å; V121-A140 HydrophobicContact CG1-CB 3.73Å; V121-R142 HydrophobicContact CG2-CB 4.5Å | ||
| 122 | L | 78.3 | Confident | 88.8 | Confident | 120 Ų | 120 | 73.9 Ų | 73.9 | 63% | 0.628 | 44% | 0.436 | S | S | * | . | trans | -87.2 | 133 | 170.8 | -64.8 | 176.8 | 0 | 0 | 0 | 109.9 | A124 D125 | L122-A124 PolarHBondContact O-N 3.16Å; L122-D125 PolarHBondContact O-N 3.45Å | ||
| 123 | G | 77.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 43% | 0.433 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -62 | -25.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D125 I126 | G123-D125 VanDerWaalsContact C-N 3.27Å; G123-D125 PolarHBondContact O-N 3.3Å; G123-I126 PolarHBondContact O-N 3.26Å |
| 124 | A | 79.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 79% | 0.793 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -66.9 | -26.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L122 | L122-A124 PolarHBondContact O-N 3.16Š|
| 125 | D | 85.1 | Confident | 88.4 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -97.6 | 2 | -174.9 | -54.7 | -38.6 | 0 | 0 | 0 | 112.5 | L122 G123 P141 | L122-D125 PolarHBondContact O-N 3.45Å; G123-D125 VanDerWaalsContact C-N 3.27Å; G123-D125 PolarHBondContact O-N 3.3Å; D125-P141 HydrophobicContact CB-CG 3.29Å; D125-P141 WeakPolarHBondContact O-CD 3.38Å |
| 126 | I | 91.7 | Very high | 88.5 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.128 | 42% | 0.422 | C | S | . | . | trans | -75 | 131.3 | 178 | -58.1 | 179.6 | 0 | 0 | 0 | 109.1 | L86 L117 V121 G123 I138 T139 A140 | L86-I126 HydrophobicContact CD1-CB 4.04Å; L86-I126 HydrophobicContact CD1-CD1 3.94Å; L86-I126 HydrophobicContact CD1-CG1 4.46Å; L86-I126 HydrophobicContact CD1-CG2 4.37Å; L86-I126 HydrophobicContact CD2-CD1 3.66Å; L86-I126 HydrophobicContact CD2-CG2 4.4Å; L86-I126 HydrophobicContact CG-CD1 4.47Å; L117-I126 HydrophobicContact CD1-CD1 3.72Å; L117-I126 HydrophobicContact CD2-CD1 3.96Å; V121-I126 HydrophobicContact CG1-CD1 4.03Å; V121-I126 HydrophobicContact CG1-CG1 4.06Å; G123-I126 PolarHBondContact O-N 3.26Å; I126-I138 HydrophobicContact CG2-CG2 3.8Å; I126-T139 WeakPolarHBondContact CA-O 3.3Å; I126-A140 HydrophobicContact CD1-CB 4.33Å; I126-A140 HydrophobicContact CG1-CB 3.89Å | ||
| 127 | T | 94.1 | Very high | 88.7 | Confident | 88 Ų | 88 | 62 Ų | 62 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.2 | 179.3 | 55 | 0 | 0 | 0 | 0 | 110.5 | I138 T139 | T127-I138 CarbonylContact O-C 3.51Å; T127-I138 WeakPolarHBondContact O-CA 3.4Å; T127-T139 PolarHBondContact N-O 3.18Å; T127-T139 PolarHBondContact O-N 3.23Å; T127-T139 PolarHBondContact OG1-O 3.38Å |
| 128 | S | 95.3 | Very high | 89 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 51% | 0.51 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.9 | 174.3 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | T137 | S128-T137 CarbonylContact C-O 3.58Å; S128-T137 WeakPolarHBondContact CA-O 3.46Å |
| 129 | N | 96.1 | Very high | 89.3 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 133.8 | 178.4 | -172 | -21.3 | 0 | 0 | 0 | 109.6 | T137 | N129-T137 PolarHBondContact N-O 2.76Å; N129-T137 PolarHBondContact O-N 2.76Å |
| 130 | L | 95.5 | Very high | 89.8 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.4 | 175.8 | 179.3 | 62.9 | 0 | 0 | 0 | 109.9 | V74 P79 L82 L136 | V74-L130 HydrophobicContact CG2-CD1 3.46Å; V74-L130 VanDerWaalsContact CG2-CD1 3.46Å; P79-L130 HydrophobicContact CB-CD2 3.94Å; P79-L130 HydrophobicContact CG-CD2 3.73Å; L82-L130 HydrophobicContact CD1-CD1 4.41Å; L82-L130 HydrophobicContact CD1-CD2 4.01Å; L130-L136 HydrophobicContact CB-CD1 4.46Å; L130-L136 HydrophobicContact CD1-CB 4.25Å |
| 131 | S | 94.2 | Very high | 90.4 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | trans | -73.9 | 154.6 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | D133 G134 V135 | S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 VanDerWaalsContact O-N 3.16Å; S131-D133 PolarHBondContact OG-N 3.18Å; S131-G134 PolarHBondContact O-N 3.31Å; S131-V135 PolarHBondContact N-O 3.15Å | ||
| 132 | S | 90.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 59.7 Ų | 59.7 | 85% | 0.846 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.1 | 171.5 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | G134 | S132-G134 PolarHBondContact O-N 2.84Š|
| 133 | D | 88.8 | Confident | 90.2 | Very high | 128 Ų | 128 | 57.5 Ų | 57.5 | 68% | 0.684 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.6 | 178.4 | -56.4 | -30.6 | 0 | 0 | 0 | 112.7 | S131 | S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 VanDerWaalsContact O-N 3.16Å; S131-D133 PolarHBondContact OG-N 3.18Å |
| 134 | G | 90.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 83.1 | 23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V74 K75 S131 S132 | V74-G134 CarbonylContact C-O 3.59Å; V74-G134 WeakPolarHBondContact CA-O 3.36Å; V74-G134 VanDerWaalsContact CG2-O 3.26Å; V74-G134 WeakPolarHBondContact CG2-O 3.47Å; V74-G134 PolarHBondContact N-O 3.17Å; K75-G134 PolarHBondContact N-O 2.86Å; K75-G134 VanDerWaalsContact N-O 3.14Å; S131-G134 PolarHBondContact O-N 3.31Å; S132-G134 PolarHBondContact O-N 2.84Å |
| 135 | V | 94.5 | Very high | 88.9 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.291 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 116.7 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | Y71 L72 S131 | Y71-V135 HydrophobicContact CD1-CG1 4.44Å; L72-V135 WeakPolarHBondContact O-CA 3.45Å; S131-V135 PolarHBondContact N-O 3.15Å |
| 136 | L | 96.1 | Very high | 87.8 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.2 | 171.5 | 178.8 | 66.6 | 0 | 0 | 0 | 109.3 | Y71 L72 V74 V84 V93 L130 I138 | Y71-L136 CarbonylContact C-O 3.55Å; L72-L136 HydrophobicContact CB-CB 4.34Å; L72-L136 HydrophobicContact CD2-CD2 4.3Å; L72-L136 PolarHBondContact N-O 3.39Å; L72-L136 PolarHBondContact O-N 2.87Å; V74-L136 HydrophobicContact CG1-CB 4.19Å; V74-L136 HydrophobicContact CG2-CB 3.91Å; V84-L136 HydrophobicContact CG2-CD2 4Å; V93-L136 HydrophobicContact CG1-CD2 3.86Å; V93-L136 HydrophobicContact CG2-CD2 4.47Å; L130-L136 HydrophobicContact CB-CD1 4.46Å; L130-L136 HydrophobicContact CD1-CB 4.25Å; L136-I138 HydrophobicContact CD2-CD1 4.28Å; L136-I138 HydrophobicContact CD2-CG1 4.45Å; L136-I138 HydrophobicContact CG-CG1 4.25Å |
| 137 | T | 96.3 | Very high | 86.6 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.4 | 176.9 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | V69 I70 Y71 S128 N129 | V69-T137 HydrophobicContact CG1-CG2 3.79Å; I70-T137 CarbonylContact O-C 3.54Å; I70-T137 VanDerWaalsContact O-CA 3.29Å; I70-T137 WeakPolarHBondContact O-CA 3.28Å; Y71-T137 HydrophobicContact CD1-CG2 4.03Å; Y71-T137 HydrophobicContact CE1-CG2 3.8Å; S128-T137 CarbonylContact C-O 3.58Å; S128-T137 WeakPolarHBondContact CA-O 3.46Å; N129-T137 PolarHBondContact N-O 2.76Å; N129-T137 PolarHBondContact O-N 2.76Å |
| 138 | I | 95.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.015 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.5 | 175.4 | -52.5 | 175.1 | 0 | 0 | 0 | 107.7 | V69 I70 V84 I91 V93 I126 T127 L136 | V69-I138 CarbonylContact C-O 3.54Å; V69-I138 WeakPolarHBondContact CA-O 3.45Å; I70-I138 HydrophobicContact CB-CB 4.28Å; I70-I138 PolarHBondContact N-O 2.92Å; I70-I138 PolarHBondContact O-N 3.08Å; V84-I138 HydrophobicContact CG1-CD1 3.98Å; V84-I138 HydrophobicContact CG2-CD1 4.45Å; I91-I138 HydrophobicContact CD1-CG2 3.95Å; I91-I138 HydrophobicContact CG2-CD1 3.9Å; V93-I138 HydrophobicContact CG2-CD1 3.59Å; I126-I138 HydrophobicContact CG2-CG2 3.8Å; T127-I138 CarbonylContact O-C 3.51Å; T127-I138 WeakPolarHBondContact O-CA 3.4Å; L136-I138 HydrophobicContact CD2-CD1 4.28Å; L136-I138 HydrophobicContact CD2-CG1 4.45Å; L136-I138 HydrophobicContact CG-CG1 4.25Å |
| 139 | T | 94.6 | Very high | 84.4 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 19% | 0.19 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.8 | -178.6 | -56.6 | 0 | 0 | 0 | 0 | 109.7 | R67 F68 V69 I126 T127 | R67-T139 HydrophobicContact CB-CG2 4.26Å; F68-T139 WeakPolarHBondContact O-CA 3.32Å; V69-T139 HydrophobicContact CG2-CG2 4.42Å; I126-T139 WeakPolarHBondContact CA-O 3.3Å; T127-T139 PolarHBondContact N-O 3.18Å; T127-T139 PolarHBondContact O-N 3.23Å; T127-T139 PolarHBondContact OG1-O 3.38Å |
| 140 | A | 92.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R67 F68 L117 V121 I126 | R67-A140 CarbonylContact C-O 3.57Å; R67-A140 WeakPolarHBondContact CA-O 3.26Å; F68-A140 HydrophobicContact CB-CB 4.19Å; F68-A140 HydrophobicContact CD1-CB 4.13Å; F68-A140 PolarHBondContact N-O 2.98Å; F68-A140 PolarHBondContact O-N 2.77Å; L117-A140 HydrophobicContact CD2-CB 4.29Å; V121-A140 HydrophobicContact CG1-CB 3.73Å; I126-A140 HydrophobicContact CD1-CB 4.33Å; I126-A140 HydrophobicContact CG1-CB 3.89Å |
| 141 | P | 89.4 | Confident | 83 | Confident | 51 Ų | 51 | 80.5 Ų | 80.5 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.6 | 175.3 | 26.6 | -28.9 | 0 | 0 | 0 | 109.4 | D125 | D125-P141 HydrophobicContact CB-CG 3.29Å; D125-P141 WeakPolarHBondContact O-CD 3.38Å |
| 142 | R | 84.3 | Confident | 82.6 | Confident | 69 Ų | 69 | 83.5 Ų | 83.5 | 26% | 0.26 | 48% | 0.479 | S | S | . | . | trans | -115.7 | 129.2 | -179.4 | -173.5 | -178.2 | 175.4 | -156.3 | 6 | 108.2 | D66 V121 C144 | D66-R142 PolarHBondContact O-N 3.35Å; V121-R142 HydrophobicContact CG2-CB 4.5Å; R142-C144 PolarHBondContact O-N 3.05Å | ||
| 143 | P | 71.9 | Confident | 82.4 | Confident | 74 Ų | 74 | 85.8 Ų | 85.8 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | trans | -61.3 | 125.6 | 169.5 | 25.4 | -31.4 | 0 | 0 | 0 | 108.3 | G120 L145 | G120-P143 WeakPolarHBondContact O-CD 3.35Å; G120-P143 WeakPolarHBondContact O-CG 3.41Å; P143-L145 PolarHBondContact O-N 2.89Å | ||
| 144 | C | 65.4 | Low | 82.2 | Confident | 96 Ų | 96 | 85.2 Ų | 85.2 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | trans | -57.5 | 110.8 | -179.2 | -148.8 | 0 | 0 | 0 | 0 | 108.2 | R142 | R142-C144 PolarHBondContact O-N 3.05Š| ||
| 145 | L | 64 | Low | 81.9 | Confident | 112 Ų | 112 | 92.4 Ų | 92.4 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | trans | -71 | 131.6 | 173.7 | -77.7 | 148.3 | 0 | 0 | 0 | 106.7 | P143 | P143-L145 PolarHBondContact O-N 2.89Š| ||
| 146 | G | 63 | Low | 81.2 | Confident | 59 Ų | 59 | 99 Ų | 99 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | trans | -53.9 | -177.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D148 | G146-D148 PolarHBondContact O-N 3.47Š| ||
| 147 | P | 66.6 | Low | 80.3 | Confident | 130 Ų | 130 | 104.6 Ų | 104.6 | 84% | 0.844 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -52 | 138.2 | -163.6 | 21.6 | -33.5 | 0 | 0 | 0 | 113.3 | R149 | P147-R149 PolarHBondContact O-N 2.93Å; P147-R149 VanDerWaalsContact O-N 3.11Å |
| 148 | D | 68.4 | Low | 79 | Confident | 170 Ų | 170 | 106.9 Ų | 106.9 | 91% | 0.909 | 60% | 0.602 | S | S | * | * | trans | -44.9 | 115.2 | 178.5 | -70 | -23.7 | 0 | 0 | 0 | 111.1 | G146 N150 | G146-D148 PolarHBondContact O-N 3.47Å; D148-N150 PolarHBondContact O-N 2.75Å | ||
| 149 | R | 74.2 | Confident | 77.2 | Confident | 224 Ų | 224 | 111.7 Ų | 111.7 | 85% | 0.845 | 64% | 0.636 | S | S | * | * | trans | -82 | 110.1 | 176.2 | -174.6 | 179.1 | 175.3 | -157.9 | -1.7 | 108.9 | P147 I151 | P147-R149 PolarHBondContact O-N 2.93Å; P147-R149 VanDerWaalsContact O-N 3.11Å; R149-I151 PolarHBondContact O-N 3.39Å | ||
| 150 | N | 77 | Confident | 75.6 | Confident | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -66.7 | 120.4 | 170.3 | -167.3 | -36.5 | 0 | 0 | 0 | 109.3 | D148 P152 | D148-N150 PolarHBondContact O-N 2.75Å; N150-P152 WeakPolarHBondContact O-CD 3.37Å | ||
| 151 | I | 84.9 | Confident | 73.9 | Confident | 132 Ų | 132 | 129.2 Ų | 129.2 | 68% | 0.677 | 71% | 0.713 | S | S | * | * | trans | -99.7 | 107 | 176.9 | -56.7 | 174.7 | 0 | 0 | 0 | 107 | R149 | R149-I151 PolarHBondContact O-N 3.39Š| ||
| 152 | P | 86.8 | Confident | 72.3 | Confident | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -66.9 | 137.9 | -180 | 27.2 | -33.4 | 0 | 0 | 0 | 110.8 | N150 S154 | N150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-S154 PolarHBondContact O-N 2.85Å | ||
| 153 | I | 86.3 | Confident | 70.9 | Confident | 169 Ų | 169 | 142.9 Ų | 142.9 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -84.5 | 111.6 | 175.1 | -57.2 | 173.2 | 0 | 0 | 0 | 107.8 | ||||
| 154 | S | 83.7 | Confident | 69.9 | Low | 116 Ų | 116 | 151.7 Ų | 151.7 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -83.9 | 128.3 | 170.5 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | P152 | P152-S154 PolarHBondContact O-N 2.85Š| ||
| 155 | F | 84.9 | Confident | 70.1 | Confident | 162 Ų | 162 | 154.5 Ų | 154.5 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -109 | 118.3 | 173.7 | 179 | -111.7 | 0 | 0 | 0 | 108.7 | D157 | F155-D157 HydrophobicContact CE1-CB 4.27Å; F155-D157 WeakPolarHBondContact CE1-OD1 3.32Å; F155-D157 WeakPolarHBondContact CE1-OD2 3.44Å; F155-D157 WeakPolarHBondContact CZ-OD1 2.95Å | ||
| 156 | E | 80.1 | Confident | 70.4 | Confident | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -95.6 | 111.3 | 169.6 | -80.4 | -167.1 | 152.3 | 0 | 0 | 109.3 | G158 | E156-G158 PolarHBondContact O-N 3.08Š| ||
| 157 | D | 77.1 | Confident | 70.8 | Confident | 127 Ų | 127 | 162.2 Ų | 162.2 | 68% | 0.679 | 84% | 0.842 | S | S | * | * | trans | -75.4 | 105.5 | 167.7 | -96.9 | -36.4 | 0 | 0 | 0 | 109.2 | F155 S159 | F155-D157 HydrophobicContact CE1-CB 4.27Å; F155-D157 WeakPolarHBondContact CE1-OD1 3.32Å; F155-D157 WeakPolarHBondContact CE1-OD2 3.44Å; F155-D157 WeakPolarHBondContact CZ-OD1 2.95Å; D157-S159 VanDerWaalsContact C-N 3.28Å; D157-S159 PolarHBondContact O-N 3.26Å | ||
| 158 | G | 68.3 | Low | 71.1 | Confident | 80 Ų | 80 | 164.1 Ų | 164.1 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -68.2 | 78.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E156 | E156-G158 PolarHBondContact O-N 3.08Š| ||
| 159 | S | 58.3 | Low | 71.2 | Confident | 104 Ų | 104 | 163.7 Ų | 163.7 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -124.8 | 74.8 | 169.6 | -78.2 | 0 | 0 | 0 | 0 | 111 | D157 K161 | D157-S159 VanDerWaalsContact C-N 3.28Å; D157-S159 PolarHBondContact O-N 3.26Å; S159-K161 PolarHBondContact O-N 2.81Å | ||
| 160 | Q | 60.4 | Low | 71 | Confident | 199 Ų | 199 | 159.7 Ų | 159.7 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -76.7 | 93.9 | 160.6 | -69.3 | -167.8 | -2.3 | 0 | 0 | 108.8 | Q162 | Q160-Q162 PolarHBondContact O-N 2.81Å; Q160-Q162 VanDerWaalsContact O-N 3.13Å | ||
| 161 | K | 56.9 | Low | 70.6 | Confident | 201 Ų | 201 | 160.9 Ų | 160.9 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -73.4 | 100.7 | 163.8 | -83.1 | -174.3 | 176.3 | 179.3 | 0 | 108.8 | S159 K163 | S159-K161 PolarHBondContact O-N 2.81Å; K161-K163 PolarHBondContact O-N 3.2Å | ||
| 162 | Q | 56.1 | Low | 69.5 | Low | 195 Ų | 195 | 163.2 Ų | 163.2 | 91% | 0.911 | 86% | 0.856 | S | S | * | * | trans | -61.2 | 117.4 | 168.1 | -134.5 | 169.8 | 0.4 | 0 | 0 | 108.7 | Q160 | Q160-Q162 PolarHBondContact O-N 2.81Å; Q160-Q162 VanDerWaalsContact O-N 3.13Å | ||
| 163 | K | 55.1 | Low | 68.1 | Low | 211 Ų | 211 | 167.5 Ų | 167.5 | 92% | 0.917 | 87% | 0.867 | S | S | * | * | trans | -80.8 | 115.7 | 176.1 | -168.1 | 179.6 | -177.4 | -176.5 | 0 | 107.8 | K161 | K161-K163 PolarHBondContact O-N 3.2Š| ||
| 164 | M | 49.7 | Very low | 66.4 | Low | 260 Ų | 260 | 167.4 Ų | 167.4 | 100% | 1.281 | 87% | 0.867 | S | S | * | * | trans | -110.7 | 0 | 161.1 | -121.6 | 176.7 | 96.6 | 0 | 0 | 108.3 |
Retrieved 164 of 164 residues in 931.1 ms
(Link to these results)